smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC001440299079 1093423152 /nfs/dbraw/zinc/42/31/52/1093423152.db2.gz JNONXINAULZROT-CRAIPNDOSA-N 2 0 340.471 2.027 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001440599547 1093864635 /nfs/dbraw/zinc/86/46/35/1093864635.db2.gz PDBNCVQPHRGRGY-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001495667975 1101409043 /nfs/dbraw/zinc/40/90/43/1101409043.db2.gz SZXGJANBAONPLZ-OCCSQVGLSA-N 2 0 346.313 2.110 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713171 1106941384 /nfs/dbraw/zinc/94/13/84/1106941384.db2.gz ZJBLMCQYWFJHET-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001521463793 1119252205 /nfs/dbraw/zinc/25/22/05/1119252205.db2.gz OAGFREGWOCJOBA-INIZCTEOSA-N 2 0 332.448 2.199 20 30 EEEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000079307328 201205578 /nfs/dbraw/zinc/20/55/78/201205578.db2.gz GUUDCCXEQCMCAH-HNNXBMFYSA-N 2 0 346.475 2.018 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000344966804 161260338 /nfs/dbraw/zinc/26/03/38/161260338.db2.gz GECNWBMMFMIVNN-CALCHBBNSA-N 2 0 342.487 2.321 20 30 EEEDRP CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000086740991 462580472 /nfs/dbraw/zinc/58/04/72/462580472.db2.gz GXGIOQWYDQFNPN-VQIMIIECSA-N 2 0 348.491 2.013 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067203393 462978617 /nfs/dbraw/zinc/97/86/17/462978617.db2.gz JPVVLZDZJZOXRN-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067203395 462979168 /nfs/dbraw/zinc/97/91/68/462979168.db2.gz JPVVLZDZJZOXRN-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C[NH+]=C(NCc1cc(F)ccc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000125298952 463527682 /nfs/dbraw/zinc/52/76/82/463527682.db2.gz YJORLJPJYLXNDC-CQSZACIVSA-N 2 0 336.430 2.458 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000171711479 463910187 /nfs/dbraw/zinc/91/01/87/463910187.db2.gz NJMGUWNOAOOFBT-SFHVURJKSA-N 2 0 336.524 2.447 20 30 EEEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC1CCCCC1 ZINC000178567213 463922634 /nfs/dbraw/zinc/92/26/34/463922634.db2.gz DLUDJNLHPNDJBT-UHFFFAOYSA-N 2 0 344.503 2.380 20 30 EEEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)cc1OC ZINC000277894603 463934872 /nfs/dbraw/zinc/93/48/72/463934872.db2.gz DSSFGYSSKSTVED-UHFFFAOYSA-N 2 0 332.448 2.305 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000275168892 464766485 /nfs/dbraw/zinc/76/64/85/464766485.db2.gz BSTZHSXTXNLRNQ-ZWKOTPCHSA-N 2 0 336.524 2.278 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC3CC[NH2+]CC3)CC2)c1 ZINC000593918731 468433803 /nfs/dbraw/zinc/43/38/03/468433803.db2.gz GYFMYHBRRDEBNH-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP C[C@H]1CC[NH2+][C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593919114 468433912 /nfs/dbraw/zinc/43/39/12/468433912.db2.gz OTJMWKANYRLJJN-KXBFYZLASA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000299164093 465632016 /nfs/dbraw/zinc/63/20/16/465632016.db2.gz SUIHEANPWLZQAT-FQEVSTJZSA-N 2 0 339.483 2.112 20 30 EEEDRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Cl ZINC000424152868 466992292 /nfs/dbraw/zinc/99/22/92/466992292.db2.gz JFBMQNBUWNKMME-AWEZNQCLSA-N 2 0 338.839 2.240 20 30 EEEDRP CC1(C)CC([NH2+]C[C@H](O)COc2ccccc2C#N)CC(C)(C)[NH2+]1 ZINC000530232933 467966345 /nfs/dbraw/zinc/96/63/45/467966345.db2.gz MOWPSOYHYCUERP-INIZCTEOSA-N 2 0 331.460 2.197 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000660705251 471453378 /nfs/dbraw/zinc/45/33/78/471453378.db2.gz UJHWMOCYZAQMEI-IBGZPJMESA-N 2 0 342.487 2.211 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160198160 527115034 /nfs/dbraw/zinc/11/50/34/527115034.db2.gz JACGALHZVAWLAW-KRWDZBQOSA-N 2 0 329.488 2.375 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+]1CCCC1 ZINC001020463939 674844238 /nfs/dbraw/zinc/84/42/38/674844238.db2.gz PANVWNMNBKMCBI-IYARVYRRSA-N 2 0 340.471 2.169 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682769 676338606 /nfs/dbraw/zinc/33/86/06/676338606.db2.gz TWHMCENPQDOMKF-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707741 676366778 /nfs/dbraw/zinc/36/67/78/676366778.db2.gz YGKZWIJSRMJFNW-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@@H]([NH+]3CC=CC3)C2)C12CCCC2 ZINC000262363514 679329396 /nfs/dbraw/zinc/32/93/96/679329396.db2.gz HHAYTVUKJXXGSM-FGTMMUONSA-N 2 0 346.519 2.246 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588692 679397761 /nfs/dbraw/zinc/39/77/61/679397761.db2.gz ITLMKGWNDDIOHW-GOSISDBHSA-N 2 0 329.488 2.419 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671980 679467593 /nfs/dbraw/zinc/46/75/93/679467593.db2.gz QHUZWRCBRGYGHK-MRXNPFEDSA-N 2 0 339.443 2.285 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000972687401 679602673 /nfs/dbraw/zinc/60/26/73/679602673.db2.gz GTZHIYARGNCGDI-HXUWFJFHSA-N 2 0 349.519 2.132 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000972689133 679606225 /nfs/dbraw/zinc/60/62/25/679606225.db2.gz SZGUWGWOVBOLGE-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@H](F)CC)CC1 ZINC001024813231 681466131 /nfs/dbraw/zinc/46/61/31/681466131.db2.gz WURYTXVGCMUTHH-QZTJIDSGSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC2)CC1 ZINC001024813303 681466177 /nfs/dbraw/zinc/46/61/77/681466177.db2.gz YVNKHSSJCMVXJJ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247257 682316170 /nfs/dbraw/zinc/31/61/70/682316170.db2.gz JYHNPFQLHQTGOK-ZWKOTPCHSA-N 2 0 329.488 2.094 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261953249 682624329 /nfs/dbraw/zinc/62/43/29/682624329.db2.gz IAFZEFSJAXLEBR-MWTISTBLSA-N 2 0 348.535 2.228 20 30 EEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261991804 682748765 /nfs/dbraw/zinc/74/87/65/682748765.db2.gz RLPIQMBMNZRYDP-WDSOQIARSA-N 2 0 336.524 2.185 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492780 682918333 /nfs/dbraw/zinc/91/83/33/682918333.db2.gz FBWOZNLWVOUUCV-PKOBYXMFSA-N 2 0 341.499 2.254 20 30 EEEDRP C(#Cc1ccccc1)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000892760202 683008391 /nfs/dbraw/zinc/00/83/91/683008391.db2.gz WJTQYXFYGPYGFG-UHFFFAOYSA-N 2 0 334.467 2.235 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597495 683080930 /nfs/dbraw/zinc/08/09/30/683080930.db2.gz RAIMEWQOAOQZKO-HUUCEWRRSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC000992746400 683361178 /nfs/dbraw/zinc/36/11/78/683361178.db2.gz WPMCTGQOFSOTCD-QXAKKESOSA-N 2 0 345.531 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(=C)C)[C@@H]3C2)CC1 ZINC000992923917 683655122 /nfs/dbraw/zinc/65/51/22/683655122.db2.gz JBRNDZWBGFDETH-ZCNNSNEGSA-N 2 0 343.515 2.124 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)Cc3ncc[nH]3)CC2)s1 ZINC001026583336 684759899 /nfs/dbraw/zinc/75/98/99/684759899.db2.gz RFCIHLBDXNBACJ-UHFFFAOYSA-N 2 0 343.456 2.103 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262405698 685788264 /nfs/dbraw/zinc/78/82/64/685788264.db2.gz OMHUUXHQYVESAO-FJIDUMEYSA-N 2 0 348.535 2.326 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328748 686336948 /nfs/dbraw/zinc/33/69/48/686336948.db2.gz XQQOKEKXXXOWEB-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001027234581 686871083 /nfs/dbraw/zinc/87/10/83/686871083.db2.gz ZRVWTWAVUWOGMW-QGZVFWFLSA-N 2 0 345.531 2.206 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000304759462 687019702 /nfs/dbraw/zinc/01/97/02/687019702.db2.gz RGJMVSYLYVRIGK-KRWDZBQOSA-N 2 0 347.463 2.306 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029758207 687023019 /nfs/dbraw/zinc/02/30/19/687023019.db2.gz VGTUPYBWYISJEM-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985713322 687532581 /nfs/dbraw/zinc/53/25/81/687532581.db2.gz SALBFJINTAONBK-UHFFFAOYSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985747050 687608761 /nfs/dbraw/zinc/60/87/61/687608761.db2.gz OQNBNBYUNIARBY-FQEVSTJZSA-N 2 0 327.472 2.019 20 30 EEEDRP [NH2+]=C(NC[C@H]1CCC=CO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262803705 688515388 /nfs/dbraw/zinc/51/53/88/688515388.db2.gz NBBVXVAHKXMPKH-GOSISDBHSA-N 2 0 328.460 2.248 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001421764964 1181489970 /nfs/dbraw/zinc/48/99/70/1181489970.db2.gz CYLGLDHQYCGITP-JSGCOSHPSA-N 2 0 346.313 2.111 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001203431326 1188079229 /nfs/dbraw/zinc/07/92/29/1188079229.db2.gz AMFBSKHWQPMDIZ-UHFFFAOYSA-N 2 0 341.499 2.351 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086067 1188702950 /nfs/dbraw/zinc/70/29/50/1188702950.db2.gz NKOVOZQXUCYHIR-IPMKNSEASA-N 2 0 331.504 2.360 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001098662982 1188849375 /nfs/dbraw/zinc/84/93/75/1188849375.db2.gz RSBKVBQWVPHNEP-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139186 1195812092 /nfs/dbraw/zinc/81/20/92/1195812092.db2.gz SJSGOLLJAIWSFR-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210985 1195949701 /nfs/dbraw/zinc/94/97/01/1195949701.db2.gz JVKHJQWVIWPJHJ-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC001034831959 1196793643 /nfs/dbraw/zinc/79/36/43/1196793643.db2.gz GWGUOWFVCUHRPW-UHFFFAOYSA-N 2 0 327.472 2.146 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001134750420 1199790941 /nfs/dbraw/zinc/79/09/41/1199790941.db2.gz XOUXREKLFBGQQF-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133015964 1200314467 /nfs/dbraw/zinc/31/44/67/1200314467.db2.gz JYCKVVRQYLUGRH-ROUUACIJSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064309 1200386910 /nfs/dbraw/zinc/38/69/10/1200386910.db2.gz LYHHBDMXKKCWEZ-NVXWUHKLSA-N 2 0 331.460 2.052 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CCCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001274891904 1205201783 /nfs/dbraw/zinc/20/17/83/1205201783.db2.gz HBCBFLBOZZIVFO-VQTJNVASSA-N 2 0 326.488 2.059 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275588601 1205433644 /nfs/dbraw/zinc/43/36/44/1205433644.db2.gz GAYUIZBTAINLCE-IYBDPMFKSA-N 2 0 332.517 2.325 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111096901 1208166937 /nfs/dbraw/zinc/16/69/37/1208166937.db2.gz CBTJARYJBACQMJ-MANSERQUSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000949382925 1209659478 /nfs/dbraw/zinc/65/94/78/1209659478.db2.gz MEBFIYYTPKRUKL-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303718911 1213892794 /nfs/dbraw/zinc/89/27/94/1213892794.db2.gz VLQAEHDUJWSMLU-QGZVFWFLSA-N 2 0 349.910 2.261 20 30 EEEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000303791180 1213906784 /nfs/dbraw/zinc/90/67/84/1213906784.db2.gz XCSPKMMZJWHVLC-SFHVURJKSA-N 2 0 349.498 2.239 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621051 1215264493 /nfs/dbraw/zinc/26/44/93/1215264493.db2.gz VJUVIGSDYMWOMJ-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](CC)C(C)C)CC2)CC1 ZINC000957778123 1215422895 /nfs/dbraw/zinc/42/28/95/1215422895.db2.gz QVFJMIYFBNKWSP-UHFFFAOYSA-N 2 0 333.520 2.301 20 30 EEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304720119 1216101101 /nfs/dbraw/zinc/10/11/01/1216101101.db2.gz OHTFHYJIFPRIOB-INIZCTEOSA-N 2 0 325.545 2.132 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487426 1216622246 /nfs/dbraw/zinc/62/22/46/1216622246.db2.gz NDOQRRWYEVTABJ-WMLDXEAASA-N 2 0 346.500 2.137 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373053 1217162600 /nfs/dbraw/zinc/16/26/00/1217162600.db2.gz FWKLGQPOGHWDOD-MOPGFXCFSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037916143 1220304778 /nfs/dbraw/zinc/30/47/78/1220304778.db2.gz AOLYXUPOWPXYCH-ZBFHGGJFSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340735 1226367452 /nfs/dbraw/zinc/36/74/52/1226367452.db2.gz ZKEVZLDTNROUKZ-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016698833 1226793837 /nfs/dbraw/zinc/79/38/37/1226793837.db2.gz QWXYHUUHXFDADX-GOSISDBHSA-N 2 0 336.439 2.250 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812259 1229359520 /nfs/dbraw/zinc/35/95/20/1229359520.db2.gz FUBJAWGMCODPPD-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(C)cc3)C2)CC1 ZINC001019813350 1229360126 /nfs/dbraw/zinc/36/01/26/1229360126.db2.gz BHFZCYFSIOYHEO-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001020174491 1229531785 /nfs/dbraw/zinc/53/17/85/1229531785.db2.gz CPWUUORVOICFJE-CADBVGFASA-N 2 0 340.471 2.025 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020354741 1229642490 /nfs/dbraw/zinc/64/24/90/1229642490.db2.gz FOLWYOOUTDRXRV-IYARVYRRSA-N 2 0 345.406 2.257 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505618 1231570997 /nfs/dbraw/zinc/57/09/97/1231570997.db2.gz LBBSQIWPDKWZHN-ICSRJNTNSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369346 1232051167 /nfs/dbraw/zinc/05/11/67/1232051167.db2.gz WTSXGJRNHPKZIG-QFBILLFUSA-N 2 0 327.472 2.471 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001045188049 1233567255 /nfs/dbraw/zinc/56/72/55/1233567255.db2.gz ZRRMKJQECAVDTK-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001045639949 1233876677 /nfs/dbraw/zinc/87/66/77/1233876677.db2.gz VYTSABZVILRWOL-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC001045646731 1233879783 /nfs/dbraw/zinc/87/97/83/1233879783.db2.gz MXQLGORJNZURNJ-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942580 1234200964 /nfs/dbraw/zinc/20/09/64/1234200964.db2.gz VGDUAVSIEQUCTL-AZUAARDMSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961141 1234235934 /nfs/dbraw/zinc/23/59/34/1234235934.db2.gz HMNXQRAIONJSCZ-TZIWHRDSSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3nc[nH]c31)C2 ZINC001045965840 1234243932 /nfs/dbraw/zinc/24/39/32/1234243932.db2.gz LXUNIEKZJVVTIQ-OXQOHEQNSA-N 2 0 340.471 2.167 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3nc[nH]c31)C2 ZINC001045965837 1234244542 /nfs/dbraw/zinc/24/45/42/1234244542.db2.gz LXUNIEKZJVVTIQ-JXFKEZNVSA-N 2 0 340.471 2.167 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045967085 1234247361 /nfs/dbraw/zinc/24/73/61/1234247361.db2.gz MUZGVRCJYNNJAZ-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047244059 1235735387 /nfs/dbraw/zinc/73/53/87/1235735387.db2.gz PGKAWKDYJINBJD-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265705 1235778615 /nfs/dbraw/zinc/77/86/15/1235778615.db2.gz VRUZPNDKGFYCCU-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538560 1237908167 /nfs/dbraw/zinc/90/81/67/1237908167.db2.gz ZUKPDZIEAYBMFZ-UHZRXMQZSA-N 2 0 343.515 2.386 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001000221657 1240075981 /nfs/dbraw/zinc/07/59/81/1240075981.db2.gz ZZHHHKZBRGIGBG-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049234406 1240336530 /nfs/dbraw/zinc/33/65/30/1240336530.db2.gz FIVDMNBALXRYPP-IXDOHACOSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560551 1241419983 /nfs/dbraw/zinc/41/99/83/1241419983.db2.gz FCIKVOPRBVUELV-MOPGFXCFSA-N 2 0 336.439 2.345 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049720940 1241988951 /nfs/dbraw/zinc/98/89/51/1241988951.db2.gz UZOKHZRZTRXHJN-QKLQHJQFSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCCC)CC3)CC1 ZINC001050765662 1244319012 /nfs/dbraw/zinc/31/90/12/1244319012.db2.gz VNMNTSBFCQZNLA-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101388180 1245751733 /nfs/dbraw/zinc/75/17/33/1245751733.db2.gz QTUXCFFPPOQBHM-MDZRGWNJSA-N 2 0 330.476 2.335 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001101582237 1245989707 /nfs/dbraw/zinc/98/97/07/1245989707.db2.gz FQBZVXQPQOJIEP-MOPGFXCFSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054050852 1247241142 /nfs/dbraw/zinc/24/11/42/1247241142.db2.gz NFSAKBXLWISPNC-HXUWFJFHSA-N 2 0 341.499 2.447 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145087 1247515984 /nfs/dbraw/zinc/51/59/84/1247515984.db2.gz JXZXCABODDDIER-FUHWJXTLSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054185327 1247650261 /nfs/dbraw/zinc/65/02/61/1247650261.db2.gz YXPXSWFJZBNDLV-BJLQDIEVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676512 1254496472 /nfs/dbraw/zinc/49/64/72/1254496472.db2.gz MNHIQVMYOLEEBI-HOTGVXAUSA-N 2 0 339.443 2.426 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074811941 1257148851 /nfs/dbraw/zinc/14/88/51/1257148851.db2.gz OUOPCJAWYDLLQB-JQFCIGGWSA-N 2 0 346.500 2.183 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991433 1257919050 /nfs/dbraw/zinc/91/90/50/1257919050.db2.gz YJASAOGTELSCBE-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099519185 1258188083 /nfs/dbraw/zinc/18/80/83/1258188083.db2.gz FYKMNFSJKGXJTJ-MHORFTMASA-N 2 0 331.504 2.073 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099519188 1258188181 /nfs/dbraw/zinc/18/81/81/1258188181.db2.gz FYKMNFSJKGXJTJ-XSLAGTTESA-N 2 0 331.504 2.073 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185411679 1278641553 /nfs/dbraw/zinc/64/15/53/1278641553.db2.gz KUSLWHPUAURFHD-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCCO1 ZINC001200873004 1287216559 /nfs/dbraw/zinc/21/65/59/1287216559.db2.gz DJMBNLVBOIHKOV-KRWDZBQOSA-N 2 0 342.443 2.040 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001194246466 1282956286 /nfs/dbraw/zinc/95/62/86/1282956286.db2.gz MYIDJAPKMQCDGZ-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001196163206 1283930323 /nfs/dbraw/zinc/93/03/23/1283930323.db2.gz ITEUDHGPXYVMTL-IBGZPJMESA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391122 1289558218 /nfs/dbraw/zinc/55/82/18/1289558218.db2.gz XVGULKULZAZORA-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526831 1296072281 /nfs/dbraw/zinc/07/22/81/1296072281.db2.gz XCOQVQJMINBNOZ-FGTMMUONSA-N 2 0 337.508 2.031 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001227792149 1301967254 /nfs/dbraw/zinc/96/72/54/1301967254.db2.gz LGTNXJQXKCRWSA-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001229463164 1302794327 /nfs/dbraw/zinc/79/43/27/1302794327.db2.gz ZRUOIMXLRUFIHE-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229860572 1302968747 /nfs/dbraw/zinc/96/87/47/1302968747.db2.gz XBXKZNBFBKDUID-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846339 1303497506 /nfs/dbraw/zinc/49/75/06/1303497506.db2.gz GCNJIFYADJHAJB-PKOBYXMFSA-N 2 0 344.503 2.164 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846798 1303498807 /nfs/dbraw/zinc/49/88/07/1303498807.db2.gz XQJGSIHRDJJNBJ-GOSISDBHSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1cccnc1 ZINC001230932062 1303551632 /nfs/dbraw/zinc/55/16/32/1303551632.db2.gz NEBQDQXQMIOITD-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc(C#N)n1 ZINC001232925555 1304295324 /nfs/dbraw/zinc/29/53/24/1304295324.db2.gz HQYAUEMXJIBDDF-UHFFFAOYSA-N 2 0 331.508 2.439 20 30 EEEDRP N#CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277950009 1305257191 /nfs/dbraw/zinc/25/71/91/1305257191.db2.gz QKEIGPAJGORXRF-GOSISDBHSA-N 2 0 344.503 2.089 20 30 EEEDRP C=C(Br)CN(CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200860 1317917980 /nfs/dbraw/zinc/91/79/80/1317917980.db2.gz RPHMWRAPTAYWJX-CYBMUJFWSA-N 2 0 334.302 2.063 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](c2cccnc2)N(C)C)CCCCC1 ZINC001120213302 1309387692 /nfs/dbraw/zinc/38/76/92/1309387692.db2.gz IJBQCBIHVFQUIJ-SFHVURJKSA-N 2 0 342.487 2.116 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448718 1309546238 /nfs/dbraw/zinc/54/62/38/1309546238.db2.gz DXIUSZMLEUAAMT-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261621 1309960349 /nfs/dbraw/zinc/96/03/49/1309960349.db2.gz YNVZNDAFWITNFA-WZXTXQKWSA-N 2 0 349.519 2.080 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203026727 1314873476 /nfs/dbraw/zinc/87/34/76/1314873476.db2.gz ARGRLXIODGNGEW-KBPBESRZSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149707037 1316020487 /nfs/dbraw/zinc/02/04/87/1316020487.db2.gz BUIQAFPJWROGTJ-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841846 1316062747 /nfs/dbraw/zinc/06/27/47/1316062747.db2.gz KYRZLZGQILMOIO-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC001152334330 1316658175 /nfs/dbraw/zinc/65/81/75/1316658175.db2.gz AODGJFHUHKTCFF-OAHLLOKOSA-N 2 0 347.890 2.452 20 30 EEEDRP CCN(Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152391681 1316665679 /nfs/dbraw/zinc/66/56/79/1316665679.db2.gz DIQWTGXMEWDFIQ-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159328653 1319742501 /nfs/dbraw/zinc/74/25/01/1319742501.db2.gz VEYZRZBJDWFYPB-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001159837412 1320001930 /nfs/dbraw/zinc/00/19/30/1320001930.db2.gz CVPYCGFNFOHEDC-LJQANCHMSA-N 2 0 342.487 2.132 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119322 1320074401 /nfs/dbraw/zinc/07/44/01/1320074401.db2.gz ACLDRMVRDSPBLT-IBGZPJMESA-N 2 0 349.519 2.200 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001160267698 1320117169 /nfs/dbraw/zinc/11/71/69/1320117169.db2.gz QJQPOCOAIDYSDS-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906716 1320985212 /nfs/dbraw/zinc/98/52/12/1320985212.db2.gz ORBNNCVBSWOLNQ-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162911474 1320986796 /nfs/dbraw/zinc/98/67/96/1320986796.db2.gz PAFISXRNLOLGJF-UHFFFAOYSA-N 2 0 337.895 2.352 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001162919201 1320988642 /nfs/dbraw/zinc/98/86/42/1320988642.db2.gz OYNJHJMPSPQGDR-HXUWFJFHSA-N 2 0 343.515 2.257 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162987723 1321006025 /nfs/dbraw/zinc/00/60/25/1321006025.db2.gz VONFQPDFJWWBSJ-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)CC1 ZINC001276472427 1322175111 /nfs/dbraw/zinc/17/51/11/1322175111.db2.gz MHYIBJQGNHXRBJ-QYZOEREBSA-N 2 0 343.515 2.431 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865503 1323641056 /nfs/dbraw/zinc/64/10/56/1323641056.db2.gz RNNLFIGPYPWMPM-FQEVSTJZSA-N 2 0 329.488 2.478 20 30 EEEDRP C=CCCCC[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209202473 1324850438 /nfs/dbraw/zinc/85/04/38/1324850438.db2.gz DIHRTPMSSNTUJP-UHFFFAOYSA-N 2 0 347.507 2.453 20 30 EEEDRP C#CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001209266745 1324878078 /nfs/dbraw/zinc/87/80/78/1324878078.db2.gz BSUMBPCCWMPYQN-AABGKKOBSA-N 2 0 326.488 2.471 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001209446015 1324934043 /nfs/dbraw/zinc/93/40/43/1324934043.db2.gz QFBLMHQOVLKCFC-SFHVURJKSA-N 2 0 347.890 2.224 20 30 EEEDRP C#CCOc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001276663390 1325006000 /nfs/dbraw/zinc/00/60/00/1325006000.db2.gz CIMBAUYOBOZAHR-UHFFFAOYSA-N 2 0 341.499 2.158 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426149 1325281344 /nfs/dbraw/zinc/28/13/44/1325281344.db2.gz ASTDFVOLIVDRQD-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001340311103 1337157095 /nfs/dbraw/zinc/15/70/95/1337157095.db2.gz GEPFTWCKPBQCKI-SQNIBIBYSA-N 2 0 339.524 2.419 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001353580726 1338291733 /nfs/dbraw/zinc/29/17/33/1338291733.db2.gz CSRLJYMLJALOBH-SFHVURJKSA-N 2 0 330.476 2.451 20 30 EEEDRP N#CCCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c(-c2ccncc2)n1 ZINC001580052746 1344460043 /nfs/dbraw/zinc/46/00/43/1344460043.db2.gz UJNZOQPEBKIYSR-SJORKVTESA-N 2 0 336.443 2.218 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147997 1368881464 /nfs/dbraw/zinc/88/14/64/1368881464.db2.gz PDINEZROVMMBGL-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633827 1370901075 /nfs/dbraw/zinc/90/10/75/1370901075.db2.gz HVFVBZVUZSLGFB-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC001371365312 1375413719 /nfs/dbraw/zinc/41/37/19/1375413719.db2.gz QIKOWBROMVAIRB-AWEZNQCLSA-N 2 0 348.466 2.270 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001376962190 1378873445 /nfs/dbraw/zinc/87/34/45/1378873445.db2.gz BIYJKKWJPQRAQN-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323555 1379865897 /nfs/dbraw/zinc/86/58/97/1379865897.db2.gz YQVMYXTTXGKDQN-ZWKOTPCHSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001400186698 1396024800 /nfs/dbraw/zinc/02/48/00/1396024800.db2.gz NYJRMHSSVXXAJP-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001402569164 1398064131 /nfs/dbraw/zinc/06/41/31/1398064131.db2.gz GKVUQHDKMBCODE-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755074213 1407084311 /nfs/dbraw/zinc/08/43/11/1407084311.db2.gz SHGYNGUEXFSINJ-LJQANCHMSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001755075677 1407085255 /nfs/dbraw/zinc/08/52/55/1407085255.db2.gz LHYTYOGYGPWQIL-IBGZPJMESA-N 2 0 329.488 2.447 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271723 1407281733 /nfs/dbraw/zinc/28/17/33/1407281733.db2.gz VWNOKWVYVSTKIR-QZTJIDSGSA-N 2 0 341.499 2.323 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC/C=C/CC)C2 ZINC001755456034 1407479033 /nfs/dbraw/zinc/47/90/33/1407479033.db2.gz HRRJYDRVRJFTEQ-UEKDZROGSA-N 2 0 343.515 2.365 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112397168 1410895561 /nfs/dbraw/zinc/89/55/61/1410895561.db2.gz VMEANEJRMUPOIH-ZVDOUQERSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211615910 761130067 /nfs/dbraw/zinc/13/00/67/761130067.db2.gz MJLQLMWESSTFBU-RBUKOAKNSA-N 2 0 339.483 2.078 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105097127 769059369 /nfs/dbraw/zinc/05/93/69/769059369.db2.gz KERJWSSZCSMWGT-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427903 769071868 /nfs/dbraw/zinc/07/18/68/769071868.db2.gz SVROLUKIOANZNO-ROUUACIJSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088020112 782778893 /nfs/dbraw/zinc/77/88/93/782778893.db2.gz VKJVYNJUEGIYBU-SJORKVTESA-N 2 0 336.439 2.060 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734217 774792806 /nfs/dbraw/zinc/79/28/06/774792806.db2.gz MANZKAALQOCRCN-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514325 790431953 /nfs/dbraw/zinc/43/19/53/790431953.db2.gz PDZOCRRPCKYENO-IRXDYDNUSA-N 2 0 337.427 2.132 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541007 777625414 /nfs/dbraw/zinc/62/54/14/777625414.db2.gz IKGUBOUIABTHDA-OALUTQOASA-N 2 0 331.504 2.149 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001135389616 783708542 /nfs/dbraw/zinc/70/85/42/783708542.db2.gz BEGRGNUJNIWMAL-ZIAGYGMSSA-N 2 0 348.516 2.334 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)C(C)C ZINC001135477884 783869571 /nfs/dbraw/zinc/86/95/71/783869571.db2.gz SJDQGRWEINCSFN-MRXNPFEDSA-N 2 0 336.505 2.192 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135743812 784352668 /nfs/dbraw/zinc/35/26/68/784352668.db2.gz PTORIBBEMORXPL-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784565 784468085 /nfs/dbraw/zinc/46/80/85/784468085.db2.gz BNUFBOSLEVIEKY-YQVWRLOYSA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001035611450 784849036 /nfs/dbraw/zinc/84/90/36/784849036.db2.gz GMANPRKHSNGDGH-SFHVURJKSA-N 2 0 345.487 2.145 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036224849 786055329 /nfs/dbraw/zinc/05/53/29/786055329.db2.gz MBIOUBYEKPOPFZ-ZBFHGGJFSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996387753 786343177 /nfs/dbraw/zinc/34/31/77/786343177.db2.gz ZPHMWOIYKNMGSU-HNNXBMFYSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484930 787378523 /nfs/dbraw/zinc/37/85/23/787378523.db2.gz BJBGHEAULQJBPT-SFHLNBCPSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000996787321 787568270 /nfs/dbraw/zinc/56/82/70/787568270.db2.gz WMUKVRCGBGKWBS-UHFFFAOYSA-N 2 0 345.834 2.214 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546520 787585980 /nfs/dbraw/zinc/58/59/80/787585980.db2.gz GDKICSJKCDVMOB-NLWGTHIKSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552451 787607728 /nfs/dbraw/zinc/60/77/28/787607728.db2.gz NKZWOJVAPCACSA-QWFCFKBJSA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923354310 789433073 /nfs/dbraw/zinc/43/30/73/789433073.db2.gz RXNFOHZKLYBVDW-SFHVURJKSA-N 2 0 331.460 2.139 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001091099896 789803310 /nfs/dbraw/zinc/80/33/10/789803310.db2.gz ATVAANKBMMWXMQ-ACBHZAAOSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001091161001 789941954 /nfs/dbraw/zinc/94/19/54/789941954.db2.gz DMELOOHXDXHGBA-UHFFFAOYSA-N 2 0 329.488 2.465 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584531 791337109 /nfs/dbraw/zinc/33/71/09/791337109.db2.gz TWGQRCTZOHXECR-SJORKVTESA-N 2 0 347.503 2.437 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992149249 792927273 /nfs/dbraw/zinc/92/72/73/792927273.db2.gz NBLPUEUZZGHMNG-CMKODMSKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403318 792938121 /nfs/dbraw/zinc/93/81/21/792938121.db2.gz ILFPOMVVSNUBEY-KZNAEPCWSA-N 2 0 337.508 2.031 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925165 792998246 /nfs/dbraw/zinc/99/82/46/792998246.db2.gz MZRDYDUBMCSARR-FGTMMUONSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946510 793045101 /nfs/dbraw/zinc/04/51/01/793045101.db2.gz BEDIYCGUKSXFGL-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809901 793280799 /nfs/dbraw/zinc/28/07/99/793280799.db2.gz ZMVQOCFHNREYPX-HBFSDRIKSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992301051 793575537 /nfs/dbraw/zinc/57/55/37/793575537.db2.gz NRCUJEDDNUHPQJ-WSTZPKSXSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300231 793775488 /nfs/dbraw/zinc/77/54/88/793775488.db2.gz SIJYQPOBGBJZBE-XLIONFOSSA-N 2 0 327.472 2.328 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001093378135 795113944 /nfs/dbraw/zinc/11/39/44/795113944.db2.gz JXFGBAYUBVTSDY-FXAWDEMLSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094460327 796271344 /nfs/dbraw/zinc/27/13/44/796271344.db2.gz AQJNFZUICIVAGN-UYAOXDASSA-N 2 0 336.439 2.332 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902320 796440052 /nfs/dbraw/zinc/44/00/52/796440052.db2.gz IYXONHUYPABLMX-ICSRJNTNSA-N 2 0 339.483 2.308 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001171762596 796723303 /nfs/dbraw/zinc/72/33/03/796723303.db2.gz HOQNZPPYLDTOQN-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993617482 796843924 /nfs/dbraw/zinc/84/39/24/796843924.db2.gz CSNPIYMHKHOQLQ-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799552 796912952 /nfs/dbraw/zinc/91/29/52/796912952.db2.gz UVTOZYDACISWHF-GUDVDZBRSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001095000172 797211530 /nfs/dbraw/zinc/21/15/30/797211530.db2.gz VLVROXYXFGYWGW-IHPCNDPISA-N 2 0 339.483 2.007 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860110 797426404 /nfs/dbraw/zinc/42/64/04/797426404.db2.gz JPWWWMKWUBFHPB-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[N@H+](CCC[NH+](C)C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434116 797462103 /nfs/dbraw/zinc/46/21/03/797462103.db2.gz DKIFJCUQMCNKHP-UHFFFAOYSA-N 2 0 342.487 2.436 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271390 798063885 /nfs/dbraw/zinc/06/38/85/798063885.db2.gz AWOUURJCYXRWHO-KRWDZBQOSA-N 2 0 339.524 2.186 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994497153 798098409 /nfs/dbraw/zinc/09/84/09/798098409.db2.gz JTNDFPHDBUEAFR-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC3CCCCC3)C2)CC1 ZINC001031436445 798397307 /nfs/dbraw/zinc/39/73/07/798397307.db2.gz HQPXGBWHSKZRHV-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564758 798498360 /nfs/dbraw/zinc/49/83/60/798498360.db2.gz RAARXCPEDJZAID-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176573271 798502182 /nfs/dbraw/zinc/50/21/82/798502182.db2.gz KSPDZYBWZZLYCE-IBGZPJMESA-N 2 0 341.499 2.399 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001177378501 798892950 /nfs/dbraw/zinc/89/29/50/798892950.db2.gz DKIAVBRLPXGZII-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539386 799982768 /nfs/dbraw/zinc/98/27/68/799982768.db2.gz WPCLYHRNDZUBOU-MPGHIAIKSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179585275 800017929 /nfs/dbraw/zinc/01/79/29/800017929.db2.gz GECPISNMBFGRFO-GOSISDBHSA-N 2 0 325.472 2.098 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182608507 801275595 /nfs/dbraw/zinc/27/55/95/801275595.db2.gz UWIMIXSVAUZGGL-FRFSOERESA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806528 801356498 /nfs/dbraw/zinc/35/64/98/801356498.db2.gz IVIHGCXNSRRYCU-WSTZPKSXSA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183391857 801583660 /nfs/dbraw/zinc/58/36/60/801583660.db2.gz RXGJZBKCTKVMAB-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440256 802049769 /nfs/dbraw/zinc/04/97/69/802049769.db2.gz YODJXGDTWHZKDI-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001185169454 802373691 /nfs/dbraw/zinc/37/36/91/802373691.db2.gz LRIAHIGGYZWGQY-QUCCMNQESA-N 2 0 343.515 2.421 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642289 802549719 /nfs/dbraw/zinc/54/97/19/802549719.db2.gz CKHXXBWFEWJULP-ZGXWSNOMSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946643058 802553552 /nfs/dbraw/zinc/55/35/52/802553552.db2.gz ZKTOLGGOBNLHKC-ZGXWSNOMSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697472 802837284 /nfs/dbraw/zinc/83/72/84/802837284.db2.gz UDBBVDCYJYRHMQ-ZCNNSNEGSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729172 802916340 /nfs/dbraw/zinc/91/63/40/802916340.db2.gz VYANSIMEJMICRQ-HSALFYBXSA-N 2 0 345.531 2.302 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395142 803445654 /nfs/dbraw/zinc/44/56/54/803445654.db2.gz OVMFSMFRNSTOMU-PKOBYXMFSA-N 2 0 339.524 2.116 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001169948859 804240927 /nfs/dbraw/zinc/24/09/27/804240927.db2.gz WEQLVDQCNTWXPV-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108829977 804553143 /nfs/dbraw/zinc/55/31/43/804553143.db2.gz AKOLOMXGZAANFV-WDSOQIARSA-N 2 0 339.483 2.354 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001129418602 810831585 /nfs/dbraw/zinc/83/15/85/810831585.db2.gz VKWCBLYHZFMULB-KRWDZBQOSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130431328 811632443 /nfs/dbraw/zinc/63/24/43/811632443.db2.gz VGKNJBLPNOXLDU-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001436673511 1088119534 /nfs/dbraw/zinc/11/95/34/1088119534.db2.gz MWFAPDHZJZPIGY-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001440739909 1093988501 /nfs/dbraw/zinc/98/85/01/1093988501.db2.gz UJCXTOVREUMTBZ-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001444887071 1099922028 /nfs/dbraw/zinc/92/20/28/1099922028.db2.gz GISYADHKDUTMEY-MRXNPFEDSA-N 2 0 347.850 2.364 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001494042572 1103413611 /nfs/dbraw/zinc/41/36/11/1103413611.db2.gz KTHSAQACCCEMCA-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001505394982 1113931986 /nfs/dbraw/zinc/93/19/86/1113931986.db2.gz VFEJQSYYJGYJIH-INIZCTEOSA-N 2 0 327.900 2.394 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396736 781959012 /nfs/dbraw/zinc/95/90/12/781959012.db2.gz ULBPTCLUCZETIH-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000344012951 161189994 /nfs/dbraw/zinc/18/99/94/161189994.db2.gz JKQIFPAXPKFDEF-HXUWFJFHSA-N 2 0 326.488 2.452 20 30 EEEDRP N#Cc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000413095824 270019461 /nfs/dbraw/zinc/01/94/61/270019461.db2.gz AGBSDCIAEDTMCZ-UHFFFAOYSA-N 2 0 340.406 2.112 20 30 EEEDRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000565586126 319195379 /nfs/dbraw/zinc/19/53/79/319195379.db2.gz SLPONBJACWTSHM-QGZVFWFLSA-N 2 0 342.487 2.005 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000130832996 462777932 /nfs/dbraw/zinc/77/79/32/462777932.db2.gz CIRRACMITIDVBG-MRXNPFEDSA-N 2 0 348.491 2.229 20 30 EEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157389529 463127356 /nfs/dbraw/zinc/12/73/56/463127356.db2.gz SGHYONISIZNXOQ-MRXNPFEDSA-N 2 0 332.492 2.468 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171712532 463910795 /nfs/dbraw/zinc/91/07/95/463910795.db2.gz FORXLLISDDVZBQ-KRWDZBQOSA-N 2 0 336.524 2.448 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262010720 463924780 /nfs/dbraw/zinc/92/47/80/463924780.db2.gz MFADUOAFUMECQP-KRWDZBQOSA-N 2 0 331.460 2.071 20 30 EEEDRP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cn1ccnc1 ZINC000278766001 463982907 /nfs/dbraw/zinc/98/29/07/463982907.db2.gz XVYZOKFXEWPHAB-MRXNPFEDSA-N 2 0 349.442 2.481 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(OC)c2)CC1 ZINC000290448266 464119538 /nfs/dbraw/zinc/11/95/38/464119538.db2.gz CJNBYAHFXUHQEZ-MRXNPFEDSA-N 2 0 330.476 2.115 20 30 EEEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NCC(C)C)CC2)cc1 ZINC000264068749 464280118 /nfs/dbraw/zinc/28/01/18/464280118.db2.gz CLYFNVDENJNJQR-UHFFFAOYSA-N 2 0 332.492 2.468 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182721620 464716318 /nfs/dbraw/zinc/71/63/18/464716318.db2.gz LQUOEZVJHRJYGJ-SJLPKXTDSA-N 2 0 334.508 2.153 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000299164096 465631188 /nfs/dbraw/zinc/63/11/88/465631188.db2.gz SUIHEANPWLZQAT-HXUWFJFHSA-N 2 0 339.483 2.112 20 30 EEEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 ZINC000372065775 466143648 /nfs/dbraw/zinc/14/36/48/466143648.db2.gz IDALEQURXOJZFP-CRAIPNDOSA-N 2 0 327.476 2.242 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000417543031 466880129 /nfs/dbraw/zinc/88/01/29/466880129.db2.gz TZCYUCTWGKTFBS-SFHVURJKSA-N 2 0 334.508 2.201 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000530539743 467992296 /nfs/dbraw/zinc/99/22/96/467992296.db2.gz YZEXPJIWBQVSEI-SFHVURJKSA-N 2 0 330.476 2.026 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488793050 468105071 /nfs/dbraw/zinc/10/50/71/468105071.db2.gz AQVZSFHPEYZSOO-MRXNPFEDSA-N 2 0 334.508 2.153 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000598720557 468973479 /nfs/dbraw/zinc/97/34/79/468973479.db2.gz OYHDLHUDKJMXEX-LJQANCHMSA-N 2 0 345.487 2.034 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669465269 471507390 /nfs/dbraw/zinc/50/73/90/471507390.db2.gz OSGHAXFEBWSMLP-DLBZAZTESA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000669464933 471507690 /nfs/dbraw/zinc/50/76/90/471507690.db2.gz KWKFGXQPRAUOMO-UHFFFAOYSA-N 2 0 328.460 2.130 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746637921 577931336 /nfs/dbraw/zinc/93/13/36/577931336.db2.gz UWGINGSRXGMASE-IRXDYDNUSA-N 2 0 333.863 2.157 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000120316797 674904619 /nfs/dbraw/zinc/90/46/19/674904619.db2.gz GMAMOMBHQIVLQA-BZSNNMDCSA-N 2 0 341.499 2.392 20 30 EEEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+]1CCCC1 ZINC000969559665 675103347 /nfs/dbraw/zinc/10/33/47/675103347.db2.gz IPSYRPDERROAPI-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001021590453 676245485 /nfs/dbraw/zinc/24/54/85/676245485.db2.gz GBHGIFKEGUJHCE-FUHWJXTLSA-N 2 0 342.487 2.261 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331151 678553382 /nfs/dbraw/zinc/55/33/82/678553382.db2.gz INPZMKWLNVBPAG-APWZRJJASA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369138 679276262 /nfs/dbraw/zinc/27/62/62/679276262.db2.gz AMCQMWWSAQSJTH-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814636 681462511 /nfs/dbraw/zinc/46/25/11/681462511.db2.gz UTQMFWQIVFQZPW-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC=C(C)C)CC1 ZINC001024811879 681464347 /nfs/dbraw/zinc/46/43/47/681464347.db2.gz DFKTVJWNFFORKZ-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681306 681809687 /nfs/dbraw/zinc/80/96/87/681809687.db2.gz UFTCOPOBEIBDHO-MRXNPFEDSA-N 2 0 339.443 2.285 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725884 682111195 /nfs/dbraw/zinc/11/11/95/682111195.db2.gz PJYNBSRMOUZVPR-IZZBFERCSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247252 682315966 /nfs/dbraw/zinc/31/59/66/682315966.db2.gz JYHNPFQLHQTGOK-MSOLQXFVSA-N 2 0 329.488 2.094 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273408 682380073 /nfs/dbraw/zinc/38/00/73/682380073.db2.gz DYUPRGZHADYHDD-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001029004540 682653913 /nfs/dbraw/zinc/65/39/13/682653913.db2.gz YNFJHBOBUVFKCH-SFHVURJKSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527490 682956875 /nfs/dbraw/zinc/95/68/75/682956875.db2.gz HSKVUWDIFVLWQQ-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001026399299 684566994 /nfs/dbraw/zinc/56/69/94/684566994.db2.gz SOWSCGSYVDRNCW-CEXWTWQISA-N 2 0 331.504 2.121 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000262375820 685690957 /nfs/dbraw/zinc/69/09/57/685690957.db2.gz JLYNGFRQXPMUOL-NXOAAHMSSA-N 2 0 336.524 2.182 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594562 687280564 /nfs/dbraw/zinc/28/05/64/687280564.db2.gz XCJCLABYMNEXSR-IBGZPJMESA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(Br)CN(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985652484 687396307 /nfs/dbraw/zinc/39/63/07/687396307.db2.gz HLSHSTDTVZVEAF-AWEZNQCLSA-N 2 0 346.313 2.158 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001027545901 692845976 /nfs/dbraw/zinc/84/59/76/692845976.db2.gz IAZINQPHKYGLSA-SJLPKXTDSA-N 2 0 330.476 2.253 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978218143 693390171 /nfs/dbraw/zinc/39/01/71/693390171.db2.gz BOQNWUJXDWTUBS-PHZGNYQRSA-N 2 0 333.501 2.293 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880467 1192643654 /nfs/dbraw/zinc/64/36/54/1192643654.db2.gz MCBDTOIEVIWUEW-NMLBUPMWSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001105482001 1188098697 /nfs/dbraw/zinc/09/86/97/1188098697.db2.gz PCOYNQHTTQTDAB-PGYGNJIDSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105559880 1188176543 /nfs/dbraw/zinc/17/65/43/1188176543.db2.gz WRRUKYKJFPPRBO-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033777374 1195261746 /nfs/dbraw/zinc/26/17/46/1195261746.db2.gz VIFDQZNONZTPBT-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001034973077 1196930733 /nfs/dbraw/zinc/93/07/33/1196930733.db2.gz LESOKZQZAFLMKL-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310911 1199561241 /nfs/dbraw/zinc/56/12/41/1199561241.db2.gz PYSCJVPASZINMF-UYAOXDASSA-N 2 0 341.499 2.153 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132931913 1200208602 /nfs/dbraw/zinc/20/86/02/1200208602.db2.gz FSPPSVNGFBQNPJ-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064699 1200386633 /nfs/dbraw/zinc/38/66/33/1200386633.db2.gz OZDOXZMFJUMDHL-RDJZCZTQSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001133393034 1200851215 /nfs/dbraw/zinc/85/12/15/1200851215.db2.gz YOGKEEIRHHTHKN-SFHVURJKSA-N 2 0 347.890 2.376 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104170100 1204611868 /nfs/dbraw/zinc/61/18/68/1204611868.db2.gz DLWJGSXVGYEELK-KSZLIROESA-N 3 0 337.556 2.133 20 30 EEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccncc2)CC3)cc1C#N ZINC001275887819 1205576613 /nfs/dbraw/zinc/57/66/13/1205576613.db2.gz AGAGAFCPGYSBHN-UHFFFAOYSA-N 2 0 335.455 2.390 20 30 EEEDRP C=CCOc1ccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cc1 ZINC001275960554 1205604130 /nfs/dbraw/zinc/60/41/30/1205604130.db2.gz YYIQQDVNTFQYGU-UHFFFAOYSA-N 2 0 329.488 2.321 20 30 EEEDRP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000949473300 1209704576 /nfs/dbraw/zinc/70/45/76/1209704576.db2.gz ZJHSXXKKDZAGLV-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529340 1209729614 /nfs/dbraw/zinc/72/96/14/1209729614.db2.gz PTMNJWJRNWELOM-HDICACEKSA-N 2 0 349.519 2.129 20 30 EEEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])NCCc2ccccc2)c1 ZINC000303893050 1213922716 /nfs/dbraw/zinc/92/27/16/1213922716.db2.gz OCHYEKNYVCSJOJ-UHFFFAOYSA-N 2 0 340.471 2.274 20 30 EEEDRP C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000304799988 1216106190 /nfs/dbraw/zinc/10/61/90/1216106190.db2.gz OINROFCYZDOKCJ-INIZCTEOSA-N 2 0 344.503 2.190 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188715 1217077612 /nfs/dbraw/zinc/07/76/12/1217077612.db2.gz XOBBHUWEWBFTJD-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226482 1217097786 /nfs/dbraw/zinc/09/77/86/1217097786.db2.gz HCPBONQIRHPIIM-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275002 1217122913 /nfs/dbraw/zinc/12/29/13/1217122913.db2.gz SWKSMDMZSQAFTP-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376785 1217164558 /nfs/dbraw/zinc/16/45/58/1217164558.db2.gz CYWFIMXYUIOQNH-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352484 1217546816 /nfs/dbraw/zinc/54/68/16/1217546816.db2.gz NPNIPOHXTLLLRG-WMZOPIPTSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=C)Cl)CC1 ZINC000963470658 1217652798 /nfs/dbraw/zinc/65/27/98/1217652798.db2.gz GLYMFYDSDGKHJX-JCYILVPMSA-N 2 0 337.895 2.196 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963472841 1217654369 /nfs/dbraw/zinc/65/43/69/1217654369.db2.gz XFVWDAWPSQSPSB-ACBHZAAOSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311947 1220403640 /nfs/dbraw/zinc/40/36/40/1220403640.db2.gz LHVCITKFEUZCMA-MAUKXSAKSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492129 1222258114 /nfs/dbraw/zinc/25/81/14/1222258114.db2.gz LMXDOQLGZXVRBT-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001016332821 1226355681 /nfs/dbraw/zinc/35/56/81/1226355681.db2.gz SUYMXOAVMHVHDF-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001016625292 1226699521 /nfs/dbraw/zinc/69/95/21/1226699521.db2.gz GKTIWTFMZBSHPT-JKSUJKDBSA-N 2 0 337.895 2.051 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016642593 1226718901 /nfs/dbraw/zinc/71/89/01/1226718901.db2.gz FICNDEZJVLAMSM-INIZCTEOSA-N 2 0 345.512 2.417 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754947 1226843821 /nfs/dbraw/zinc/84/38/21/1226843821.db2.gz SETWPUITJGDWGO-ZWKOTPCHSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016931655 1226979298 /nfs/dbraw/zinc/97/92/98/1226979298.db2.gz SXHLAFRSDNFKEW-QGZVFWFLSA-N 2 0 328.460 2.308 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016982809 1227012910 /nfs/dbraw/zinc/01/29/10/1227012910.db2.gz LYLQJSFYFVUKNI-IBGZPJMESA-N 2 0 339.483 2.356 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555193 1227517180 /nfs/dbraw/zinc/51/71/80/1227517180.db2.gz KWJIVFOMGOJCFW-YSIASYRMSA-N 2 0 343.515 2.340 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001019386111 1229057649 /nfs/dbraw/zinc/05/76/49/1229057649.db2.gz CQMVNKVEKNEELS-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358797 1231186408 /nfs/dbraw/zinc/18/64/08/1231186408.db2.gz ZCUAXZUSQUBGNL-CMKODMSKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746240 1231355978 /nfs/dbraw/zinc/35/59/78/1231355978.db2.gz XOTUJIDMLFLBPH-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096015860 1233589273 /nfs/dbraw/zinc/58/92/73/1233589273.db2.gz SWLKYKBHJJYLKH-DRMAHVMPSA-N 2 0 337.483 2.497 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CN3CCCC3)on1)C2 ZINC001096020673 1233687775 /nfs/dbraw/zinc/68/77/75/1233687775.db2.gz OSUDAJXMOITNDP-HFTRVMKXSA-N 2 0 344.459 2.182 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045967084 1234247169 /nfs/dbraw/zinc/24/71/69/1234247169.db2.gz MUZGVRCJYNNJAZ-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001048556787 1237956360 /nfs/dbraw/zinc/95/63/60/1237956360.db2.gz UMQFSQXNGQBPJX-FKSLSLAPSA-N 2 0 331.504 2.099 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001000317848 1240164899 /nfs/dbraw/zinc/16/48/99/1240164899.db2.gz QWSHQIXCDDUIKC-IEBWSBKVSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243795 1240363032 /nfs/dbraw/zinc/36/30/32/1240363032.db2.gz DRQNKSCZOWRCGB-IYBDPMFKSA-N 2 0 331.460 2.311 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001145885 1241724879 /nfs/dbraw/zinc/72/48/79/1241724879.db2.gz WIWPHRRHODSAPP-UHFFFAOYSA-N 2 0 339.483 2.176 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663811 1241812378 /nfs/dbraw/zinc/81/23/78/1241812378.db2.gz ODJPXUXNCWCCTQ-ZCNNSNEGSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001404957 1242208376 /nfs/dbraw/zinc/20/83/76/1242208376.db2.gz NPSHRZAKVYXQKW-SFHVURJKSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001073627261 1242588520 /nfs/dbraw/zinc/58/85/20/1242588520.db2.gz KWMXMPMFOXKPOB-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC001050520754 1243776250 /nfs/dbraw/zinc/77/62/50/1243776250.db2.gz JMFGJMAUVAKWBX-GOSISDBHSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767126 1244942454 /nfs/dbraw/zinc/94/24/54/1244942454.db2.gz SEQGMJVJMCKPGM-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)CC2)CC1 ZINC001052952055 1245540426 /nfs/dbraw/zinc/54/04/26/1245540426.db2.gz BJHCYOLXFIRQET-MDGVGCGJSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC[C@H](C)F)CC2)CC1 ZINC001052958380 1245557013 /nfs/dbraw/zinc/55/70/13/1245557013.db2.gz MPNKSAJDCAKPFZ-FUHWJXTLSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464854 1245865466 /nfs/dbraw/zinc/86/54/66/1245865466.db2.gz ZJLWPFMITZNRPN-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487294 1245891928 /nfs/dbraw/zinc/89/19/28/1245891928.db2.gz WRFFKTCHDMYRLA-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095762 1245892780 /nfs/dbraw/zinc/89/27/80/1245892780.db2.gz KXQBFMHFSDOGLQ-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC001053106961 1245924076 /nfs/dbraw/zinc/92/40/76/1245924076.db2.gz XYPJDRDVOPMNOD-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001101574844 1245979512 /nfs/dbraw/zinc/97/95/12/1245979512.db2.gz GMBBNTOFDWOLPW-KRWDZBQOSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438979 1247286815 /nfs/dbraw/zinc/28/68/15/1247286815.db2.gz FVSQZJGSRQFSIW-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135819 1247490284 /nfs/dbraw/zinc/49/02/84/1247490284.db2.gz JZJPUIWJLOFSOD-NLWGTHIKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054196573 1247683990 /nfs/dbraw/zinc/68/39/90/1247683990.db2.gz JMOXXSUFSDMNTO-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290012 1248023330 /nfs/dbraw/zinc/02/33/30/1248023330.db2.gz YOPYIHBOJYYJNI-UHFFFAOYSA-N 2 0 325.456 2.290 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)CC1 ZINC001074103136 1256714019 /nfs/dbraw/zinc/71/40/19/1256714019.db2.gz UJYKZAOHXGUFOP-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCCC1 ZINC001099552969 1258201269 /nfs/dbraw/zinc/20/12/69/1258201269.db2.gz QJNUWGQPVHFNII-NMLBUPMWSA-N 2 0 343.515 2.055 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621883 1282603197 /nfs/dbraw/zinc/60/31/97/1282603197.db2.gz JALHDMPOXVGITN-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC001202150220 1289920469 /nfs/dbraw/zinc/92/04/69/1289920469.db2.gz YFFLIXAUUGVDOH-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001211269650 1295791448 /nfs/dbraw/zinc/79/14/48/1295791448.db2.gz STGWFQLBTIVVQO-KRWDZBQOSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001216842820 1297311068 /nfs/dbraw/zinc/31/10/68/1297311068.db2.gz NEYRPXDOVIBEDZ-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801668 1297543755 /nfs/dbraw/zinc/54/37/55/1297543755.db2.gz RFDRVMSXEHVRAW-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C)[NH+](C)C ZINC001074888575 1298354859 /nfs/dbraw/zinc/35/48/59/1298354859.db2.gz LMEQCPMFMLIKBB-KKXDTOCCSA-N 2 0 346.450 2.117 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001220868137 1298564656 /nfs/dbraw/zinc/56/46/56/1298564656.db2.gz CBMXVACERVCMRP-AABGKKOBSA-N 2 0 341.499 2.282 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001099503507 1299173392 /nfs/dbraw/zinc/17/33/92/1299173392.db2.gz CQIVFXAVPFYKRD-MANSERQUSA-N 2 0 343.515 2.053 20 30 EEEDRP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707299 1300236868 /nfs/dbraw/zinc/23/68/68/1300236868.db2.gz SEZSLSPXVQODJT-QYZOEREBSA-N 2 0 333.520 2.299 20 30 EEEDRP C#CCCC[NH+]1CCC2(CC[C@H](C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001276978014 1300633920 /nfs/dbraw/zinc/63/39/20/1300633920.db2.gz ILSAKFZKPIMLOK-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292379 1300754002 /nfs/dbraw/zinc/75/40/02/1300754002.db2.gz KYJMNGICIUSMBO-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601754 1301275705 /nfs/dbraw/zinc/27/57/05/1301275705.db2.gz OSGWPZCOKYJCSX-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001228096414 1302101267 /nfs/dbraw/zinc/10/12/67/1302101267.db2.gz NNSNTTSHMRRDLC-UHFFFAOYSA-N 2 0 330.476 2.455 20 30 EEEDRP C=CCCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230713366 1303408208 /nfs/dbraw/zinc/40/82/08/1303408208.db2.gz BCBLAKLWZKQBKE-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C#CCC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)CC)Cc1cccnc1 ZINC001230789314 1303459216 /nfs/dbraw/zinc/45/92/16/1303459216.db2.gz CHMPOHQNQFJFRK-UHFFFAOYSA-N 2 0 344.503 2.144 20 30 EEEDRP N#Cc1ccnc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001232475462 1304139420 /nfs/dbraw/zinc/13/94/20/1304139420.db2.gz JWTGNYCAVMHKLC-MOPGFXCFSA-N 2 0 333.439 2.302 20 30 EEEDRP N#CCCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277948273 1305248012 /nfs/dbraw/zinc/24/80/12/1305248012.db2.gz BRQHIDWHHVZLII-GOSISDBHSA-N 2 0 344.503 2.089 20 30 EEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546404 1305319067 /nfs/dbraw/zinc/31/90/67/1305319067.db2.gz KKINLFMBHNPFMZ-ZWKOTPCHSA-N 2 0 349.519 2.225 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729514 1305680207 /nfs/dbraw/zinc/68/02/07/1305680207.db2.gz IYSVMHUVTAOMIM-KRWDZBQOSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120004493 1309274751 /nfs/dbraw/zinc/27/47/51/1309274751.db2.gz BMICFBGAHXPFRB-OAHLLOKOSA-N 2 0 327.900 2.489 20 30 EEEDRP N#Cc1cc(-c2ccc(OCC3CC[NH2+]CC3)nn2)cc(C2C[NH2+]C2)c1 ZINC001240346473 1309308933 /nfs/dbraw/zinc/30/89/33/1309308933.db2.gz NKVXISJLFQQNAH-UHFFFAOYSA-N 2 0 349.438 2.080 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121289607 1309969620 /nfs/dbraw/zinc/96/96/20/1309969620.db2.gz ZLRUJJJPFPSDMD-SWPKYLGISA-N 2 0 329.488 2.044 20 30 EEEDRP C=CCCCCCC[C@@H](O)C[NH2+]CC1(C(=O)OCC)CC[NH2+]CC1 ZINC001246007982 1310207631 /nfs/dbraw/zinc/20/76/31/1310207631.db2.gz ZVPZBPNBMRBIIX-QGZVFWFLSA-N 2 0 340.508 2.396 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000829558506 1314502295 /nfs/dbraw/zinc/50/22/95/1314502295.db2.gz YGQQMUCFWRDCPW-UHFFFAOYSA-N 2 0 334.439 2.024 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452629 1316267566 /nfs/dbraw/zinc/26/75/66/1316267566.db2.gz HLNYFTWHPFHKSJ-QZTJIDSGSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001150579104 1316305253 /nfs/dbraw/zinc/30/52/53/1316305253.db2.gz KCECUHMPJDNETR-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180924 1317488922 /nfs/dbraw/zinc/48/89/22/1317488922.db2.gz XHXDHNZFEQOGJJ-SJORKVTESA-N 2 0 327.513 2.136 20 30 EEEDRP N#Cc1c(NCc2ccc3c(c2)CC[NH2+]C3)ncc2c1CCC[NH2+]C2 ZINC001155267439 1317530848 /nfs/dbraw/zinc/53/08/48/1317530848.db2.gz DORSLQBDZOVDNT-UHFFFAOYSA-N 2 0 333.439 2.247 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)s1 ZINC001156525419 1318053625 /nfs/dbraw/zinc/05/36/25/1318053625.db2.gz NYDDWJPNOGCKNK-CQSZACIVSA-N 2 0 336.505 2.288 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)Cc2ccccn2)CC1 ZINC001256423465 1318734235 /nfs/dbraw/zinc/73/42/35/1318734235.db2.gz CJZCZJBSAYWSMV-LJQANCHMSA-N 2 0 328.504 2.304 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001157886767 1318916984 /nfs/dbraw/zinc/91/69/84/1318916984.db2.gz MJUSISAYMCISDA-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158040486 1318981331 /nfs/dbraw/zinc/98/13/31/1318981331.db2.gz XCJLMVULZCXGPJ-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158065081 1318991363 /nfs/dbraw/zinc/99/13/63/1318991363.db2.gz DNYICOYJPXFWDZ-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(C(=O)OC)CC2)CC1 ZINC001257868790 1319095037 /nfs/dbraw/zinc/09/50/37/1319095037.db2.gz QBKBBDXMPHVBOK-UHFFFAOYSA-N 2 0 349.519 2.010 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001158421139 1319231122 /nfs/dbraw/zinc/23/11/22/1319231122.db2.gz SIHQANJYERXSLI-CRAIPNDOSA-N 2 0 347.890 2.128 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001161090158 1320382496 /nfs/dbraw/zinc/38/24/96/1320382496.db2.gz QECMGEYYVOULOQ-UHFFFAOYSA-N 2 0 340.471 2.148 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733819 1320604325 /nfs/dbraw/zinc/60/43/25/1320604325.db2.gz LNCOPCUJLLXPDW-UHFFFAOYSA-N 2 0 337.508 2.059 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001162997495 1321008860 /nfs/dbraw/zinc/00/88/60/1321008860.db2.gz VDSLOACPNRCVTH-SFHVURJKSA-N 2 0 349.906 2.352 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223495 1321070939 /nfs/dbraw/zinc/07/09/39/1321070939.db2.gz JRKYVDPHIGECME-FQEVSTJZSA-N 2 0 339.483 2.008 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484947 1321532965 /nfs/dbraw/zinc/53/29/65/1321532965.db2.gz IJYUMALVHNJNRB-GOSISDBHSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001165879403 1321605768 /nfs/dbraw/zinc/60/57/68/1321605768.db2.gz WMUOSGGXKHYVQV-UHFFFAOYSA-N 2 0 330.476 2.360 20 30 EEEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206518635 1323520621 /nfs/dbraw/zinc/52/06/21/1323520621.db2.gz BCZHPCRCURIUAW-PXNSSMCTSA-N 2 0 336.439 2.078 20 30 EEEDRP C=CCOC(=O)N1CCC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)CC1 ZINC001208107012 1324319199 /nfs/dbraw/zinc/31/91/99/1324319199.db2.gz IOEYTBLNBGYQHP-UHFFFAOYSA-N 2 0 335.492 2.439 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210217723 1325204184 /nfs/dbraw/zinc/20/41/84/1325204184.db2.gz MBWZAHOCQKQFQG-IBGZPJMESA-N 2 0 345.462 2.100 20 30 EEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001100463734 1338399356 /nfs/dbraw/zinc/39/93/56/1338399356.db2.gz RKPANWMRSYCISF-UHFFFAOYSA-N 2 0 330.476 2.359 20 30 EEEDRP CC(C)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001575554036 1343825780 /nfs/dbraw/zinc/82/57/80/1343825780.db2.gz KHORYBYJVNBKAK-GOSISDBHSA-N 2 0 330.476 2.212 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 ZINC001098113327 1370301507 /nfs/dbraw/zinc/30/15/07/1370301507.db2.gz ROWPGBRPIXOSLS-KURKYZTESA-N 2 0 337.427 2.179 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122063998 1371943099 /nfs/dbraw/zinc/94/30/99/1371943099.db2.gz SPOZYRHRFXVERQ-YYIRHMBSSA-N 2 0 331.504 2.147 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200796212 1373113902 /nfs/dbraw/zinc/11/39/02/1373113902.db2.gz VMTMPEGBYQWFPG-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001367715246 1374241555 /nfs/dbraw/zinc/24/15/55/1374241555.db2.gz OUJLGKIMKSGCLE-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001370887884 1375102752 /nfs/dbraw/zinc/10/27/52/1375102752.db2.gz RUKCCMJBAMGPCS-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001375764614 1377981827 /nfs/dbraw/zinc/98/18/27/1377981827.db2.gz PBEKUDWUNVFBJT-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001377494875 1379294482 /nfs/dbraw/zinc/29/44/82/1379294482.db2.gz USHYCVYRUFUMHK-INIZCTEOSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(C#N)c1 ZINC001378275889 1379836258 /nfs/dbraw/zinc/83/62/58/1379836258.db2.gz UNRVFGZRMYFZSK-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001379219158 1380639997 /nfs/dbraw/zinc/63/99/97/1380639997.db2.gz LEAASWKGUFFMDZ-ZDUSSCGKSA-N 2 0 348.329 2.309 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001392512159 1390073564 /nfs/dbraw/zinc/07/35/64/1390073564.db2.gz ONMOMJVJVVRXFF-OAHLLOKOSA-N 2 0 330.476 2.130 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398578540 1394115193 /nfs/dbraw/zinc/11/51/93/1394115193.db2.gz QACWYPYQQVVFPF-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CC ZINC001754469536 1406914736 /nfs/dbraw/zinc/91/47/36/1406914736.db2.gz UXKUHWMBWZTQRO-RTBURBONSA-N 2 0 333.520 2.493 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409613 1397984618 /nfs/dbraw/zinc/98/46/18/1397984618.db2.gz AKULOTRAPWWIQX-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001423019763 1400357526 /nfs/dbraw/zinc/35/75/26/1400357526.db2.gz VERMSTHEXAFUHR-MRXNPFEDSA-N 2 0 345.834 2.118 20 30 EEEDRP C#CC[C@]1(C(=O)NCc2ccccc2C[NH+](CC)CC)CCC[NH2+]1 ZINC001574516524 1403521541 /nfs/dbraw/zinc/52/15/41/1403521541.db2.gz GYDYRYMLAKOOBT-HXUWFJFHSA-N 2 0 327.472 2.290 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001574970428 1403529822 /nfs/dbraw/zinc/52/98/22/1403529822.db2.gz VSCSZGJPJZRUQV-YJBOKZPZSA-N 2 0 329.444 2.086 20 30 EEEDRP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755361091 1407359240 /nfs/dbraw/zinc/35/92/40/1407359240.db2.gz LYLBPUNFMNLQBI-UXHICEINSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001751992843 1406170328 /nfs/dbraw/zinc/17/03/28/1406170328.db2.gz ZIHJADJQDKJQDE-SFHVURJKSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123371 1410877173 /nfs/dbraw/zinc/87/71/73/1410877173.db2.gz GSOQXNZLKLDGMZ-CHWSQXEVSA-N 2 0 335.414 2.272 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615961 761130182 /nfs/dbraw/zinc/13/01/82/761130182.db2.gz OOQRHRVUYNDEDR-VQTJNVASSA-N 2 0 339.483 2.078 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001112517994 761255834 /nfs/dbraw/zinc/25/58/34/761255834.db2.gz LWSNIKWBNJPVLR-LPHOPBHVSA-N 2 0 331.460 2.359 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104860700 765447431 /nfs/dbraw/zinc/44/74/31/765447431.db2.gz KIKZATZDJWARHL-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530881 782632561 /nfs/dbraw/zinc/63/25/61/782632561.db2.gz XTNCBJMLOHRCRV-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993789 782737299 /nfs/dbraw/zinc/73/72/99/782737299.db2.gz CXUCGDLFGBZEDY-ZIFCJYIRSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673578 770049049 /nfs/dbraw/zinc/04/90/49/770049049.db2.gz QRKOPQQJKWVLKT-YSIASYRMSA-N 2 0 339.483 2.078 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675399 770093825 /nfs/dbraw/zinc/09/38/25/770093825.db2.gz QEAJZYTWNFSDOA-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070323 773435352 /nfs/dbraw/zinc/43/53/52/773435352.db2.gz ONFIZXFIZREFMD-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154203 773965185 /nfs/dbraw/zinc/96/51/85/773965185.db2.gz HBSAVCOABHIVGE-SZMVWBNQSA-N 2 0 343.471 2.195 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167815330 774989806 /nfs/dbraw/zinc/98/98/06/774989806.db2.gz RBWODMHEVLNSMZ-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC#Cc2ccccc2)CCCCC1 ZINC001131794230 783227824 /nfs/dbraw/zinc/22/78/24/783227824.db2.gz OITFMAMEMGBVMS-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000939507840 776739618 /nfs/dbraw/zinc/73/96/18/776739618.db2.gz UTYFSJMLXUIUJD-CXAGYDPISA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981193286 776763512 /nfs/dbraw/zinc/76/35/12/776763512.db2.gz GOASHQHVLSJBQF-CABCVRRESA-N 2 0 325.884 2.384 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001089824048 777047438 /nfs/dbraw/zinc/04/74/38/777047438.db2.gz IVEOYVNKADZUHX-OKYOBFRVSA-N 2 0 343.515 2.217 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981326923 777151787 /nfs/dbraw/zinc/15/17/87/777151787.db2.gz MHZALGWHEUETFC-IBGZPJMESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839277 777495570 /nfs/dbraw/zinc/49/55/70/777495570.db2.gz RWLGGQXHPJESDU-QLIIJSOBSA-N 2 0 348.450 2.140 20 30 EEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981808132 778251401 /nfs/dbraw/zinc/25/14/01/778251401.db2.gz IFLJIZPFODBETC-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001087437428 778816159 /nfs/dbraw/zinc/81/61/59/778816159.db2.gz RDXJACKLWMZETB-DFQSSKMNSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720440 779715172 /nfs/dbraw/zinc/71/51/72/779715172.db2.gz HOAWSGYFVBUZFE-HSALFYBXSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211721017 779724817 /nfs/dbraw/zinc/72/48/17/779724817.db2.gz WVWHDMWHGAZJRL-HSALFYBXSA-N 2 0 341.499 2.489 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](C(C)C)CC1 ZINC000261702461 780725165 /nfs/dbraw/zinc/72/51/65/780725165.db2.gz JGVPSYYLLFIEHB-RCCFBDPRSA-N 2 0 348.535 2.372 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793780 781610245 /nfs/dbraw/zinc/61/02/45/781610245.db2.gz QWUBTHGQAYPRQV-CMKODMSKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312929 781646953 /nfs/dbraw/zinc/64/69/53/781646953.db2.gz TVSANHBDAYDAEY-XLIONFOSSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035246846 784182965 /nfs/dbraw/zinc/18/29/65/784182965.db2.gz AVVJEIFLMTVVOA-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259710 784213931 /nfs/dbraw/zinc/21/39/31/784213931.db2.gz FFURHLCAOZVHKJ-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996761324 787396892 /nfs/dbraw/zinc/39/68/92/787396892.db2.gz FSQDMNNQYMPXMB-MRXNPFEDSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397611 791234747 /nfs/dbraw/zinc/23/47/47/791234747.db2.gz GADNGZXSDDMGMQ-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567019 791886012 /nfs/dbraw/zinc/88/60/12/791886012.db2.gz TXXCOZWEQVVITB-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998270844 792412603 /nfs/dbraw/zinc/41/26/03/792412603.db2.gz VOSCMBXPRRGACW-KGLIPLIRSA-N 2 0 347.425 2.416 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926061 793001097 /nfs/dbraw/zinc/00/10/97/793001097.db2.gz OEBCPOBHFDJYIV-OALUTQOASA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926060 793001341 /nfs/dbraw/zinc/00/13/41/793001341.db2.gz OEBCPOBHFDJYIV-MOPGFXCFSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942631 793035250 /nfs/dbraw/zinc/03/52/50/793035250.db2.gz WZGNYAFUWCPBBZ-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212405818 793138790 /nfs/dbraw/zinc/13/87/90/793138790.db2.gz DSSQMCMWMUFTLP-CEXWTWQISA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091880030 793341400 /nfs/dbraw/zinc/34/14/00/793341400.db2.gz XGPNQWZVAQFJJO-HBFSDRIKSA-N 2 0 331.504 2.217 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998995785 793649016 /nfs/dbraw/zinc/64/90/16/793649016.db2.gz VCNNBEXSMCHXJK-KVULBXGLSA-N 2 0 346.500 2.183 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998992919 793662127 /nfs/dbraw/zinc/66/21/27/793662127.db2.gz BRIARXABTOCKDH-ACBHZAAOSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992408389 793981544 /nfs/dbraw/zinc/98/15/44/793981544.db2.gz RSVTZVDJIDRPQD-CTNGQTDRSA-N 2 0 343.515 2.245 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000999498652 794544815 /nfs/dbraw/zinc/54/48/15/794544815.db2.gz XKDXSQRLWYMINS-QZTJIDSGSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730859 794675951 /nfs/dbraw/zinc/67/59/51/794675951.db2.gz KIVAWRUEWHTPBK-DOTOQJQBSA-N 2 0 345.512 2.369 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902956 796441779 /nfs/dbraw/zinc/44/17/79/796441779.db2.gz SOVLDZGIEANUED-OALUTQOASA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124563 796642342 /nfs/dbraw/zinc/64/23/42/796642342.db2.gz LSPHIYILBDEHQO-ZCNNSNEGSA-N 2 0 339.483 2.078 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081174936 796669172 /nfs/dbraw/zinc/66/91/72/796669172.db2.gz MUHCEEDLRIKPSE-IPMKNSEASA-N 2 0 329.488 2.343 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078656960 796777736 /nfs/dbraw/zinc/77/77/36/796777736.db2.gz NGTLIJOMIADJOA-IRXDYDNUSA-N 2 0 331.504 2.456 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172304903 796950463 /nfs/dbraw/zinc/95/04/63/796950463.db2.gz BDLVZLBREPTTNZ-QGZVFWFLSA-N 2 0 326.488 2.201 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309074 796950907 /nfs/dbraw/zinc/95/09/07/796950907.db2.gz QAXPRBUIRVIWOE-GOSISDBHSA-N 2 0 328.504 2.449 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993818425 797047375 /nfs/dbraw/zinc/04/73/75/797047375.db2.gz FTIJAGRTJPSBKW-QFBILLFUSA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704508 797389695 /nfs/dbraw/zinc/38/96/95/797389695.db2.gz AEYIEFGRNHZDMV-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001175326941 798078886 /nfs/dbraw/zinc/07/88/86/798078886.db2.gz YYFMSIPUOOQRSN-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049538 798638545 /nfs/dbraw/zinc/63/85/45/798638545.db2.gz JBARHZBVWFAALM-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176986089 798674669 /nfs/dbraw/zinc/67/46/69/798674669.db2.gz DMGVWSNRIUYCRJ-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP CN(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001177016317 798696593 /nfs/dbraw/zinc/69/65/93/798696593.db2.gz JHMRPLVJFWZACF-OAQYLSRUSA-N 2 0 349.478 2.437 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001112586048 806697912 /nfs/dbraw/zinc/69/79/12/806697912.db2.gz FCHXDTKNJAMOQU-NSHGMRRFSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)CCN1C(=O)CC[NH+](C)C ZINC001179472533 799941925 /nfs/dbraw/zinc/94/19/25/799941925.db2.gz NVRJACOWTDWDTG-YJBOKZPZSA-N 2 0 347.890 2.222 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182402024 801152943 /nfs/dbraw/zinc/15/29/43/801152943.db2.gz QEXJGJLXXAENSQ-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCC)C2)CC1 ZINC001183496314 801629195 /nfs/dbraw/zinc/62/91/95/801629195.db2.gz HVZQQQLCFDWNSU-YLJYHZDGSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cn1 ZINC001085922512 801668055 /nfs/dbraw/zinc/66/80/55/801668055.db2.gz FMMAHHOCNUVDEH-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001151399167 801915724 /nfs/dbraw/zinc/91/57/24/801915724.db2.gz RJWYNACHLBUELA-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCCN2CC#N)CC1 ZINC001004456840 802116403 /nfs/dbraw/zinc/11/64/03/802116403.db2.gz ILLFKXMSCGYUDX-RBUKOAKNSA-N 2 0 346.519 2.476 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086122359 802223159 /nfs/dbraw/zinc/22/31/59/802223159.db2.gz HQPFENOXYFWHCV-CEXWTWQISA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141047 802316382 /nfs/dbraw/zinc/31/63/82/802316382.db2.gz JYRMTEUNDIRLNL-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258273 802613124 /nfs/dbraw/zinc/61/31/24/802613124.db2.gz PTCRSJQFOXXWJQ-MJGOQNOKSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365173 802832877 /nfs/dbraw/zinc/83/28/77/802832877.db2.gz HNACMYFOXFNTIT-FPCVCCKLSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834630 804560236 /nfs/dbraw/zinc/56/02/36/804560236.db2.gz WXHJMXQSAUMWSA-OTWHNJEPSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609770 810046455 /nfs/dbraw/zinc/04/64/55/810046455.db2.gz WXRIBIIJNGQOOY-YZGWKJHDSA-N 2 0 339.483 2.078 20 30 EEEDRP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438265864 1090747776 /nfs/dbraw/zinc/74/77/76/1090747776.db2.gz KUCHYNAHCUIFNH-OALUTQOASA-N 2 0 342.487 2.321 20 30 EEEDRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438340416 1090816576 /nfs/dbraw/zinc/81/65/76/1090816576.db2.gz FBQVXRGPWUDEGO-INIZCTEOSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001440120476 1093182134 /nfs/dbraw/zinc/18/21/34/1093182134.db2.gz UXFFFUAXCGJEDM-HUUCEWRRSA-N 2 0 325.884 2.194 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001441828497 1095881835 /nfs/dbraw/zinc/88/18/35/1095881835.db2.gz RXJYNXDCNHFQIK-CJNGLKHVSA-N 2 0 334.489 2.041 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001495742615 1101512977 /nfs/dbraw/zinc/51/29/77/1101512977.db2.gz IPQDCMVMSGCRRO-GFCCVEGCSA-N 2 0 348.329 2.215 20 30 EEEDRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001480770230 1107082655 /nfs/dbraw/zinc/08/26/55/1107082655.db2.gz PUPJXFFIACXIJI-OAHLLOKOSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001502142868 1113614819 /nfs/dbraw/zinc/61/48/19/1113614819.db2.gz KSPQHUXYPKYKMP-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422979213 240315720 /nfs/dbraw/zinc/31/57/20/240315720.db2.gz MAAXMVURRLGEED-HZPDHXFCSA-N 2 0 334.439 2.010 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000491617345 533100682 /nfs/dbraw/zinc/10/06/82/533100682.db2.gz CBJQOJMXRJASLW-UHFFFAOYSA-N 2 0 336.524 2.095 20 30 EEEDRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000360278650 164274761 /nfs/dbraw/zinc/27/47/61/164274761.db2.gz UOFFFBVTIUIKRF-QGZVFWFLSA-N 2 0 344.503 2.394 20 30 EEEDRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1C#N ZINC000369720563 166321582 /nfs/dbraw/zinc/32/15/82/166321582.db2.gz JGEYLPQBHPHISU-IBGZPJMESA-N 2 0 342.487 2.167 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCOc1cccc(C#N)c1 ZINC000374419984 167039310 /nfs/dbraw/zinc/03/93/10/167039310.db2.gz JULMSAHLAZLUPY-QRQLOZEOSA-N 2 0 329.444 2.121 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000296702850 465230783 /nfs/dbraw/zinc/23/07/83/465230783.db2.gz ZFXUTUMZCJZKGT-UHFFFAOYSA-N 2 0 342.487 2.037 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066921734 462946095 /nfs/dbraw/zinc/94/60/95/462946095.db2.gz CQDXUHHUIAIMOF-CALCHBBNSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000120234619 462976614 /nfs/dbraw/zinc/97/66/14/462976614.db2.gz MNRDRRJJEUXECY-SJORKVTESA-N 2 0 327.472 2.289 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000171871068 463940133 /nfs/dbraw/zinc/94/01/33/463940133.db2.gz PMHNTXUIEDPMEB-MRXNPFEDSA-N 2 0 327.472 2.200 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)CC1 ZINC000195104392 463991428 /nfs/dbraw/zinc/99/14/28/463991428.db2.gz DZSPANXQKJMVAR-LJQANCHMSA-N 2 0 337.467 2.343 20 30 EEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[NH+]2CC)c1 ZINC000264077355 464279497 /nfs/dbraw/zinc/27/94/97/464279497.db2.gz GGHTYYDEUTVJFH-GOSISDBHSA-N 3 0 331.508 2.027 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000264133038 464286854 /nfs/dbraw/zinc/28/68/54/464286854.db2.gz UMFNYSDOIKATHT-JKSUJKDBSA-N 2 0 332.492 2.358 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000264129959 464287254 /nfs/dbraw/zinc/28/72/54/464287254.db2.gz XUBNINDBBPEQOQ-UHFFFAOYSA-N 2 0 331.508 2.176 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174244548 464383525 /nfs/dbraw/zinc/38/35/25/464383525.db2.gz DMJWSKHHLCCKJX-QGZVFWFLSA-N 2 0 334.508 2.154 20 30 EEEDRP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000267421299 464931789 /nfs/dbraw/zinc/93/17/89/464931789.db2.gz KONUNPGKTDFGNK-UHFFFAOYSA-N 2 0 332.448 2.067 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424147774 466990730 /nfs/dbraw/zinc/99/07/30/466990730.db2.gz SEROXRMZAVPQEB-NJAFHUGGSA-N 2 0 328.460 2.034 20 30 EEEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424148474 466991113 /nfs/dbraw/zinc/99/11/13/466991113.db2.gz ULRCTGOQBFBEBH-SJLPKXTDSA-N 2 0 328.460 2.131 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCCC)CC2)CC1 ZINC000490669039 468232657 /nfs/dbraw/zinc/23/26/57/468232657.db2.gz DSXMLTZMAKYWEZ-UHFFFAOYSA-N 2 0 333.520 2.302 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000551752716 468251660 /nfs/dbraw/zinc/25/16/60/468251660.db2.gz HCLKRQOTJSIOSE-UHFFFAOYSA-N 2 0 348.495 2.072 20 30 EEEDRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000591770643 468518280 /nfs/dbraw/zinc/51/82/80/468518280.db2.gz WPFZHJSIYMEDRR-SFHVURJKSA-N 2 0 327.403 2.280 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000598722090 468973424 /nfs/dbraw/zinc/97/34/24/468973424.db2.gz YYQHETVAQGCWAI-IBGZPJMESA-N 2 0 345.487 2.034 20 30 EEEDRP Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000596097142 469153430 /nfs/dbraw/zinc/15/34/30/469153430.db2.gz FEIRXGMTISPAHP-LSDHHAIUSA-N 2 0 346.523 2.766 20 30 EEEDRP Cc1cc(NCC[C@H](C)[NH+](C)C)c(C#N)c(NCC[C@@H](C)[NH+](C)C)n1 ZINC000596431826 469264627 /nfs/dbraw/zinc/26/46/27/469264627.db2.gz NHDXOWDOHMEIPD-JKSUJKDBSA-N 2 0 346.523 2.766 20 30 EEEDRP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682107 470610278 /nfs/dbraw/zinc/61/02/78/470610278.db2.gz KYCLYQJBLYSIPG-KRWDZBQOSA-N 2 0 328.460 2.183 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171696378 526434977 /nfs/dbraw/zinc/43/49/77/526434977.db2.gz RJOSGSPTLGVZQQ-GOSISDBHSA-N 2 0 330.476 2.239 20 30 EEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093132958 526933128 /nfs/dbraw/zinc/93/31/28/526933128.db2.gz YUHBOWDVUCTCMV-LJQANCHMSA-N 2 0 329.488 2.463 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000969964130 675348286 /nfs/dbraw/zinc/34/82/86/675348286.db2.gz CQMVNKVEKNEELS-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622598 676277108 /nfs/dbraw/zinc/27/71/08/676277108.db2.gz KLEUXBGLZJPALS-IEBWSBKVSA-N 2 0 336.439 2.284 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636392 676291209 /nfs/dbraw/zinc/29/12/09/676291209.db2.gz QFAVFGYTSIGQMN-APWZRJJASA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001021705408 676365941 /nfs/dbraw/zinc/36/59/41/676365941.db2.gz ZYQVKDFURZPXDC-ICSRJNTNSA-N 2 0 348.450 2.432 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739786 676398125 /nfs/dbraw/zinc/39/81/25/676398125.db2.gz NDNUGGUZKVJMEK-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000891939759 677721278 /nfs/dbraw/zinc/72/12/78/677721278.db2.gz DUKWSQYVBTVFLM-RCCFBDPRSA-N 2 0 334.508 2.031 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001022716663 678318411 /nfs/dbraw/zinc/31/84/11/678318411.db2.gz DLVICACTWJTYAH-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CC2)CC1 ZINC001024813341 681466213 /nfs/dbraw/zinc/46/62/13/681466213.db2.gz ZQGGXGJUUSFOFJ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(C#N)sc1[N+](=O)[O-] ZINC000892787321 683054529 /nfs/dbraw/zinc/05/45/29/683054529.db2.gz LRHDVKZOHLCPNX-UHFFFAOYSA-N 2 0 339.465 2.238 20 30 EEEDRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000895187923 684259300 /nfs/dbraw/zinc/25/93/00/684259300.db2.gz JPJYZXIZWQELMV-UHFFFAOYSA-N 2 0 326.488 2.454 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)cccc1C ZINC001038367720 684515989 /nfs/dbraw/zinc/51/59/89/684515989.db2.gz MVPROVUMRFQYBL-QUCCMNQESA-N 2 0 339.483 2.092 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262432737 686049638 /nfs/dbraw/zinc/04/96/38/686049638.db2.gz SRTIKOUQEDLFRS-XDNAFOTISA-N 2 0 346.519 2.102 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975062783 686091049 /nfs/dbraw/zinc/09/10/49/686091049.db2.gz ONIRQMRVPNCWSP-IBGZPJMESA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC000989829584 692356365 /nfs/dbraw/zinc/35/63/65/692356365.db2.gz UJSRNRMMFSMMNW-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000977650359 692879286 /nfs/dbraw/zinc/87/92/86/692879286.db2.gz CPZVUUATIQMIJB-SFHVURJKSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000977650357 692879555 /nfs/dbraw/zinc/87/95/55/692879555.db2.gz CPZVUUATIQMIJB-GOSISDBHSA-N 2 0 331.504 2.124 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978411426 693574065 /nfs/dbraw/zinc/57/40/65/693574065.db2.gz KMADIRVTLKQQKN-OSYLJGHBSA-N 2 0 344.846 2.303 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485727561 1191919570 /nfs/dbraw/zinc/91/95/70/1191919570.db2.gz MLSRUZVEJUEDEH-YOEHRIQHSA-N 2 0 348.516 2.479 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517400 1188134360 /nfs/dbraw/zinc/13/43/60/1188134360.db2.gz BNYCNWGURYYHLO-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574557 1188188263 /nfs/dbraw/zinc/18/82/63/1188188263.db2.gz BBWZVXRENQJESJ-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752911080 1190899644 /nfs/dbraw/zinc/89/96/44/1190899644.db2.gz JOIQDSDETKCYTR-HNNXBMFYSA-N 2 0 335.879 2.128 20 30 EEEDRP C#CCC[N@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612181 1191437310 /nfs/dbraw/zinc/43/73/10/1191437310.db2.gz MPTLPJCBECTWQZ-HXUWFJFHSA-N 2 0 341.499 2.270 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033683897 1195063405 /nfs/dbraw/zinc/06/34/05/1195063405.db2.gz JBJVEKBYWVLEOE-LJQANCHMSA-N 2 0 345.531 2.301 20 30 EEEDRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777252 1195261278 /nfs/dbraw/zinc/26/12/78/1195261278.db2.gz UDHSSRRMXPGMJZ-UXHICEINSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(=C)Cl)CC2)CC1 ZINC001034795657 1196733076 /nfs/dbraw/zinc/73/30/76/1196733076.db2.gz OJANEOGANIQCOV-QAQDUYKDSA-N 2 0 337.895 2.101 20 30 EEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001202539155 1198798978 /nfs/dbraw/zinc/79/89/78/1198798978.db2.gz KSCJXOFCZHQGFJ-UHFFFAOYSA-N 2 0 329.488 2.318 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584800 1199673137 /nfs/dbraw/zinc/67/31/37/1199673137.db2.gz XITHXFPSSBSRPD-CHWSQXEVSA-N 2 0 346.313 2.252 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCCC)C2)CC1 ZINC001133336539 1200760062 /nfs/dbraw/zinc/76/00/62/1200760062.db2.gz BVQVNXWVBZGLSL-PKOBYXMFSA-N 2 0 333.520 2.206 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[NH2+]CC3CC3)CC2)c1 ZINC000870951077 1200973782 /nfs/dbraw/zinc/97/37/82/1200973782.db2.gz VYBBUKZEKIFACJ-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884213417 1202265433 /nfs/dbraw/zinc/26/54/33/1202265433.db2.gz APZNPYDAAFABES-QGZVFWFLSA-N 2 0 327.428 2.069 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000104169401 1204611396 /nfs/dbraw/zinc/61/13/96/1204611396.db2.gz QCFVNQCRDPUERJ-UHFFFAOYSA-N 2 0 331.508 2.149 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290376 1205299453 /nfs/dbraw/zinc/29/94/53/1205299453.db2.gz IRRSWJKVOHYIBS-BGYRXZFFSA-N 2 0 326.488 2.264 20 30 EEEDRP [NH2+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000303877718 1213917873 /nfs/dbraw/zinc/91/78/73/1213917873.db2.gz FNZLGJLKHJKVEM-UHFFFAOYSA-N 2 0 343.519 2.389 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])N3CCCCC3)CC2)c1 ZINC000303904176 1213924092 /nfs/dbraw/zinc/92/40/92/1213924092.db2.gz UUJKAXMQBFNFII-UHFFFAOYSA-N 2 0 343.519 2.308 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605467 1215250009 /nfs/dbraw/zinc/25/00/09/1215250009.db2.gz DIICTMUXNHONCH-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1Cl ZINC000304814391 1216107110 /nfs/dbraw/zinc/10/71/10/1216107110.db2.gz ZPJOFWVJJOYXDD-ZIAGYGMSSA-N 2 0 338.883 2.496 20 30 EEEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000960217759 1216430749 /nfs/dbraw/zinc/43/07/49/1216430749.db2.gz ZRCPHMFGMCZVCR-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253612 1217111940 /nfs/dbraw/zinc/11/19/40/1217111940.db2.gz QYNAHFWOOYXZCT-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266368 1217118173 /nfs/dbraw/zinc/11/81/73/1217118173.db2.gz XFBIBWNGUODSJE-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](C(C)C)C3)C2)CC1 ZINC000961293798 1217132207 /nfs/dbraw/zinc/13/22/07/1217132207.db2.gz QZMCGYYARIUGCY-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961373554 1217163182 /nfs/dbraw/zinc/16/31/82/1217163182.db2.gz HSNWQJVWYZQYMF-OALUTQOASA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401694 1217175983 /nfs/dbraw/zinc/17/59/83/1217175983.db2.gz NNLYVJRZCMLIOZ-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390960 1217588285 /nfs/dbraw/zinc/58/82/85/1217588285.db2.gz PLGCKMJFWOXXKF-AEFFLSMTSA-N 2 0 340.471 2.097 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000965091864 1218886659 /nfs/dbraw/zinc/88/66/59/1218886659.db2.gz JIQOLYSFFDGWGD-UHFFFAOYSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)CC1 ZINC000965928646 1219367970 /nfs/dbraw/zinc/36/79/70/1219367970.db2.gz HKNATJQMOSSZEK-UHFFFAOYSA-N 2 0 343.515 2.149 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928161 1221678869 /nfs/dbraw/zinc/67/88/69/1221678869.db2.gz DHSNPAWMERQJJH-OALUTQOASA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001019816414 1229361869 /nfs/dbraw/zinc/36/18/69/1229361869.db2.gz ZKGJHYDRQANHSP-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001020251395 1229583606 /nfs/dbraw/zinc/58/36/06/1229583606.db2.gz KNHGAWMEKAPMSV-NNFUDEMPSA-N 2 0 343.446 2.221 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128138 1230336433 /nfs/dbraw/zinc/33/64/33/1230336433.db2.gz VGKWAUCWTVGLSF-SJORKVTESA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130129 1230338265 /nfs/dbraw/zinc/33/82/65/1230338265.db2.gz JCEBJRRUYOEDNX-PMACEKPBSA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138405 1230352251 /nfs/dbraw/zinc/35/22/51/1230352251.db2.gz QCCFXENOOBFHFN-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182168 1230409639 /nfs/dbraw/zinc/40/96/39/1230409639.db2.gz KHGPJPLTWBEDLC-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233468 1230466648 /nfs/dbraw/zinc/46/66/48/1230466648.db2.gz BPLZBQQKULHYRJ-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386733 1230571440 /nfs/dbraw/zinc/57/14/40/1230571440.db2.gz AXBYCANEEDQNBD-QYZOEREBSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039437764 1230610186 /nfs/dbraw/zinc/61/01/86/1230610186.db2.gz WWRYPSWLAAXQGR-UWVAXJGDSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295321 1231156831 /nfs/dbraw/zinc/15/68/31/1231156831.db2.gz CQWKIQBCZAFAQZ-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347341 1231180666 /nfs/dbraw/zinc/18/06/66/1231180666.db2.gz JJTHITRBPLVBIG-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC001040512553 1231270722 /nfs/dbraw/zinc/27/07/22/1231270722.db2.gz IKPNWGQKKLVDHZ-IBGZPJMESA-N 2 0 330.476 2.243 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001040916417 1231403886 /nfs/dbraw/zinc/40/38/86/1231403886.db2.gz DIIHVNZKTJGSNG-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC4CCC4)[C@@H]3C2)CC1 ZINC001042367611 1232049323 /nfs/dbraw/zinc/04/93/23/1232049323.db2.gz ITAJCGSTYKOAPN-UYAOXDASSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369663 1232051097 /nfs/dbraw/zinc/05/10/97/1232051097.db2.gz ZSBQUERLZZMATF-YLJYHZDGSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001044670755 1233166463 /nfs/dbraw/zinc/16/64/63/1233166463.db2.gz GIZNPMNHMHPXSY-HUUCEWRRSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001045321379 1233667266 /nfs/dbraw/zinc/66/72/66/1233667266.db2.gz NOZRZDOXJJBECL-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001045973510 1234258663 /nfs/dbraw/zinc/25/86/63/1234258663.db2.gz SCQHXTDAPNCKNK-LPHOPBHVSA-N 2 0 330.476 2.479 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047245574 1235737954 /nfs/dbraw/zinc/73/79/54/1235737954.db2.gz ZVQAPUPPEJJLLD-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256481 1235759771 /nfs/dbraw/zinc/75/97/71/1235759771.db2.gz KWISASCQRAJFIR-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047265222 1235776828 /nfs/dbraw/zinc/77/68/28/1235776828.db2.gz GDLVRPHMZODQPO-LJQANCHMSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265707 1235778336 /nfs/dbraw/zinc/77/83/36/1235778336.db2.gz VRUZPNDKGFYCCU-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047266231 1235779476 /nfs/dbraw/zinc/77/94/76/1235779476.db2.gz UHLNUSSPTZKGOR-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048537524 1237906891 /nfs/dbraw/zinc/90/68/91/1237906891.db2.gz DQABKNBYZHTTEC-UHZRXMQZSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC001000174946 1240026507 /nfs/dbraw/zinc/02/65/07/1240026507.db2.gz SCFRPUKSDKOVFN-GOSISDBHSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001000319639 1240166811 /nfs/dbraw/zinc/16/68/11/1240166811.db2.gz YOWFGEVKQRFOGC-IEBWSBKVSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477883 1241072815 /nfs/dbraw/zinc/07/28/15/1241072815.db2.gz JUJDVRSYGYVPMW-QZTJIDSGSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049519767 1241220525 /nfs/dbraw/zinc/22/05/25/1241220525.db2.gz AZFMTJKWCXTLST-AQNXPRMDSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719555 1241983969 /nfs/dbraw/zinc/98/39/69/1241983969.db2.gz MUPPQKOVGGDSNF-VQTJNVASSA-N 2 0 339.483 2.103 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001350766 1242112423 /nfs/dbraw/zinc/11/24/23/1242112423.db2.gz QXCULGGADHNBMR-UHFFFAOYSA-N 2 0 331.504 2.433 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786493 1242181379 /nfs/dbraw/zinc/18/13/79/1242181379.db2.gz BQTVTAJMPZQCID-RTBURBONSA-N 2 0 325.456 2.060 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103416 1242874080 /nfs/dbraw/zinc/87/40/80/1242874080.db2.gz ILNAAFXEMKRBJX-OTWHNJEPSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC4CC4)C[C@H]32)CC1 ZINC001050208953 1243124632 /nfs/dbraw/zinc/12/46/32/1243124632.db2.gz WVCNFMGQROAAOQ-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348924 1245697161 /nfs/dbraw/zinc/69/71/61/1245697161.db2.gz NYMYRRXJZRIWST-POAQFYNOSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028930 1245712746 /nfs/dbraw/zinc/71/27/46/1245712746.db2.gz NZBQARJDOURGSJ-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054134233 1247485721 /nfs/dbraw/zinc/48/57/21/1247485721.db2.gz XLEILNYWRGFDJJ-AZUAARDMSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141589 1247505164 /nfs/dbraw/zinc/50/51/64/1247505164.db2.gz MPANBHZNFYJVEW-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054159401 1247562960 /nfs/dbraw/zinc/56/29/60/1247562960.db2.gz VFUJVEKWFZARPO-HXUWFJFHSA-N 2 0 336.439 2.204 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C#N)ccc1F ZINC000827480559 1248171383 /nfs/dbraw/zinc/17/13/83/1248171383.db2.gz GHLPSASKQAFLOH-UHFFFAOYSA-N 2 0 334.439 2.043 20 30 EEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059805 1255624263 /nfs/dbraw/zinc/62/42/63/1255624263.db2.gz VNTBIHPHDDXZRO-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001099131040 1257981513 /nfs/dbraw/zinc/98/15/13/1257981513.db2.gz VVSPMAWRJOUJTL-GOSISDBHSA-N 2 0 342.487 2.148 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597654 1258246429 /nfs/dbraw/zinc/24/64/29/1258246429.db2.gz ZDZILSYEUMLVLH-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001101039530 1259602826 /nfs/dbraw/zinc/60/28/26/1259602826.db2.gz QHCJDMFKJXOLNJ-UHFFFAOYSA-N 2 0 346.450 2.022 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001186093907 1278948792 /nfs/dbraw/zinc/94/87/92/1278948792.db2.gz FKIGOCXATZXVAX-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001186824943 1279272515 /nfs/dbraw/zinc/27/25/15/1279272515.db2.gz RQPPDEORCPAHOM-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001187298548 1279498320 /nfs/dbraw/zinc/49/83/20/1279498320.db2.gz ISDGMVBYFFAVDU-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174215 1280720482 /nfs/dbraw/zinc/72/04/82/1280720482.db2.gz DIGUWNKDQBTCEL-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290845 1282426412 /nfs/dbraw/zinc/42/64/12/1282426412.db2.gz FPCIMUJCSFHQMC-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194153576 1282915379 /nfs/dbraw/zinc/91/53/79/1282915379.db2.gz FTWFPQHQLSKQRW-ROUUACIJSA-N 2 0 339.524 2.210 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823494 1283857040 /nfs/dbraw/zinc/85/70/40/1283857040.db2.gz KVTIYKONLCSLIP-ZWKOTPCHSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071176743 1286907661 /nfs/dbraw/zinc/90/76/61/1286907661.db2.gz ZXHBCTBQIZKZRI-PXNSSMCTSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201412058 1289561283 /nfs/dbraw/zinc/56/12/83/1289561283.db2.gz VORRUPNZEHDCTG-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738034 1296083924 /nfs/dbraw/zinc/08/39/24/1296083924.db2.gz CDVODAJDYNDLSO-SFHVURJKSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634458 1297332943 /nfs/dbraw/zinc/33/29/43/1297332943.db2.gz SFLOMLFZJFHAMI-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220746583 1298522171 /nfs/dbraw/zinc/52/21/71/1298522171.db2.gz GJJZVCYUTAPHRG-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229463159 1302793879 /nfs/dbraw/zinc/79/38/79/1302793879.db2.gz ZMNYNYBCWBGULC-SFHVURJKSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103436482 1302959322 /nfs/dbraw/zinc/95/93/22/1302959322.db2.gz ZXLQEBZFRULKPI-SQWLQELKSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230574313 1303287226 /nfs/dbraw/zinc/28/72/26/1303287226.db2.gz BCVLLRKXLZDFQT-GOSISDBHSA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750691 1303295330 /nfs/dbraw/zinc/29/53/30/1303295330.db2.gz IOKKNQAKDHTDTQ-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1cccnc1 ZINC001230778638 1303450748 /nfs/dbraw/zinc/45/07/48/1303450748.db2.gz UYPYCJGKRWGFKV-UHFFFAOYSA-N 2 0 344.503 2.450 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cn2)CC1 ZINC001232362131 1304095556 /nfs/dbraw/zinc/09/55/56/1304095556.db2.gz KYIOJYMKSFUHRZ-NNZMDNLPSA-N 2 0 325.460 2.100 20 30 EEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546494 1305318951 /nfs/dbraw/zinc/31/89/51/1305318951.db2.gz PSSOTESRHRLVGJ-ROUUACIJSA-N 2 0 349.519 2.225 20 30 EEEDRP Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC001118183892 1306308693 /nfs/dbraw/zinc/30/86/93/1306308693.db2.gz XVJSNMQTRJPHIC-SFHVURJKSA-N 2 0 328.460 2.051 20 30 EEEDRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC001246081916 1310232613 /nfs/dbraw/zinc/23/26/13/1310232613.db2.gz JYYJVPNSSBFWTD-DOTOQJQBSA-N 2 0 340.471 2.141 20 30 EEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001246306445 1310276184 /nfs/dbraw/zinc/27/61/84/1310276184.db2.gz WECOVOLQHCRBAR-GOSISDBHSA-N 2 0 337.423 2.453 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929460 1314738138 /nfs/dbraw/zinc/73/81/38/1314738138.db2.gz NDXMEAXQVDUVFZ-DLBZAZTESA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946693 1316098871 /nfs/dbraw/zinc/09/88/71/1316098871.db2.gz MBSWUBSNMSLVAD-ZWKOTPCHSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451859 1316266705 /nfs/dbraw/zinc/26/67/05/1316266705.db2.gz ARYZCKTYTAGLAK-QZTJIDSGSA-N 2 0 339.524 2.136 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)cc1F ZINC001153314860 1316809934 /nfs/dbraw/zinc/80/99/34/1316809934.db2.gz QPVLXDRCQQRTFK-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576723 1317885633 /nfs/dbraw/zinc/88/56/33/1317885633.db2.gz HEMUMNSFFDYSPK-RTBURBONSA-N 2 0 330.472 2.289 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341207 1317970465 /nfs/dbraw/zinc/97/04/65/1317970465.db2.gz AMHNQVXGEUFJBF-YLJYHZDGSA-N 2 0 329.488 2.313 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342285 1317971869 /nfs/dbraw/zinc/97/18/69/1317971869.db2.gz YAVOCZDQKGWUKP-YLJYHZDGSA-N 2 0 329.488 2.313 20 30 EEEDRP CC[C@@H](CC#N)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171799 1318311363 /nfs/dbraw/zinc/31/13/63/1318311363.db2.gz BCOSZAJNGMUYPU-CEXWTWQISA-N 2 0 328.460 2.297 20 30 EEEDRP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158750291 1319417885 /nfs/dbraw/zinc/41/78/85/1319417885.db2.gz JYLRIOMUFIFDQD-HZPDHXFCSA-N 2 0 327.900 2.394 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159901379 1320015730 /nfs/dbraw/zinc/01/57/30/1320015730.db2.gz FTKYLRMUFQSXCL-LJQANCHMSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001160997987 1320349158 /nfs/dbraw/zinc/34/91/58/1320349158.db2.gz ZRFJNTAIYLUAEG-IBGZPJMESA-N 2 0 349.519 2.200 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930632 1320680810 /nfs/dbraw/zinc/68/08/10/1320680810.db2.gz FBCUQWXICWCFGY-UHFFFAOYSA-N 2 0 349.519 2.203 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)(COC)CC1 ZINC001162581957 1320904244 /nfs/dbraw/zinc/90/42/44/1320904244.db2.gz UOXXNDUYWGWJPV-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001162611484 1320911890 /nfs/dbraw/zinc/91/18/90/1320911890.db2.gz KGTKKPFSFIXBBR-UHFFFAOYSA-N 2 0 333.395 2.116 20 30 EEEDRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001165772374 1321582606 /nfs/dbraw/zinc/58/26/06/1321582606.db2.gz NYJZUCSADZATKI-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](CC)CC ZINC001166426006 1321717659 /nfs/dbraw/zinc/71/76/59/1321717659.db2.gz ZNYDEPXYEPHHLL-SFHVURJKSA-N 2 0 348.466 2.414 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001166971157 1321828294 /nfs/dbraw/zinc/82/82/94/1321828294.db2.gz JLAZKQZMWRLMOZ-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001207789672 1324151384 /nfs/dbraw/zinc/15/13/84/1324151384.db2.gz CXGDECMGSQGJFU-CKEIUWERSA-N 2 0 334.464 2.141 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209642141 1324997018 /nfs/dbraw/zinc/99/70/18/1324997018.db2.gz MLUXNVBLWLWLHP-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209714799 1325019526 /nfs/dbraw/zinc/01/95/26/1325019526.db2.gz CFEZXCNHQISLFK-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCc1cccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)c1O ZINC001276685355 1325308954 /nfs/dbraw/zinc/30/89/54/1325308954.db2.gz ZKXSRWRLEBXDDV-UHFFFAOYSA-N 2 0 329.488 2.190 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643938 1325363785 /nfs/dbraw/zinc/36/37/85/1325363785.db2.gz MGSWHVCLCBLLSG-OALUTQOASA-N 2 0 327.472 2.283 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891406 1330291779 /nfs/dbraw/zinc/29/17/79/1330291779.db2.gz KBPNXFFBLDTJPM-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492035477 1330459535 /nfs/dbraw/zinc/45/95/35/1330459535.db2.gz ZEHACGXHWOSYSV-CQSZACIVSA-N 2 0 346.450 2.166 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)C1CCC1 ZINC001436344322 1342042919 /nfs/dbraw/zinc/04/29/19/1342042919.db2.gz JQUAYZFXXOTONB-RHNCMZPLSA-N 2 0 340.471 2.027 20 30 EEEDRP N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001580036406 1344453654 /nfs/dbraw/zinc/45/36/54/1344453654.db2.gz UQSJTGZAKYBIOG-LJQANCHMSA-N 2 0 330.451 2.398 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1)[NH+](C)C ZINC001368493443 1374417335 /nfs/dbraw/zinc/41/73/35/1374417335.db2.gz OAMKMUWYGHACNO-SFHVURJKSA-N 2 0 342.487 2.273 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C#N)ccc2F)CCC1)[NH+](C)C ZINC001376749384 1378719802 /nfs/dbraw/zinc/71/98/02/1378719802.db2.gz ILAUEUZLJJVCDW-QGZVFWFLSA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001378895445 1380245336 /nfs/dbraw/zinc/24/53/36/1380245336.db2.gz IQFMQORTNSHKPP-OCCSQVGLSA-N 2 0 346.313 2.063 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001379219155 1380639952 /nfs/dbraw/zinc/63/99/52/1380639952.db2.gz LEAASWKGUFFMDZ-CYBMUJFWSA-N 2 0 348.329 2.309 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001379805888 1380899637 /nfs/dbraw/zinc/89/96/37/1380899637.db2.gz WLYUQWXTEXPJIH-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001752772833 1406379747 /nfs/dbraw/zinc/37/97/47/1406379747.db2.gz NAAGFSKTQWSCEZ-KDURUIRLSA-N 2 0 327.472 2.007 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752798213 1406417812 /nfs/dbraw/zinc/41/78/12/1406417812.db2.gz WEMKUWOETXPTRQ-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398196349 1391805332 /nfs/dbraw/zinc/80/53/32/1391805332.db2.gz CLZGBEFZBSQRRJ-HOCLYGCPSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141724 1396975580 /nfs/dbraw/zinc/97/55/80/1396975580.db2.gz VFRGNVOPRLGDIJ-RDTXWAMCSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001402066372 1397744293 /nfs/dbraw/zinc/74/42/93/1397744293.db2.gz RGDRTXWHHBTGFL-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001402192892 1397832982 /nfs/dbraw/zinc/83/29/82/1397832982.db2.gz UXDFAKTWTFMKPS-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001403157929 1398441313 /nfs/dbraw/zinc/44/13/13/1398441313.db2.gz HCFYNLOCHUFJFK-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001403321845 1399763303 /nfs/dbraw/zinc/76/33/03/1399763303.db2.gz TVTIAESBTJXLNB-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001755741035 1407800591 /nfs/dbraw/zinc/80/05/91/1407800591.db2.gz CZQDZTAALJNIMS-PMACEKPBSA-N 2 0 341.499 2.059 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449987 760441895 /nfs/dbraw/zinc/44/18/95/760441895.db2.gz XFUXVBDDQIJLQL-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211616026 761131070 /nfs/dbraw/zinc/13/10/70/761131070.db2.gz RJCNLRMNNDPEBF-XUVXKRRUSA-N 2 0 341.499 2.487 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1CCC)C[C@H](C)O2 ZINC001098603031 764967956 /nfs/dbraw/zinc/96/79/56/764967956.db2.gz JDELEZLLPDOXAH-ZWKOTPCHSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106532 782920751 /nfs/dbraw/zinc/92/07/51/782920751.db2.gz FZJLSAYXBJVXQX-GJYPPUQNSA-N 2 0 337.483 2.165 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212726 783065969 /nfs/dbraw/zinc/06/59/69/783065969.db2.gz LIVSOHLCIBKKAS-AABGKKOBSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656422 773963080 /nfs/dbraw/zinc/96/30/80/773963080.db2.gz ISQHDYPNYKOTEE-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686761 774319224 /nfs/dbraw/zinc/31/92/24/774319224.db2.gz YDGQCJKLXNYWOT-BZSNNMDCSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CN2CCCC2)on1 ZINC001028140166 778369351 /nfs/dbraw/zinc/36/93/51/778369351.db2.gz XMVMEVZTGMHDAR-INIZCTEOSA-N 2 0 346.475 2.431 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280105 779519913 /nfs/dbraw/zinc/51/99/13/779519913.db2.gz UOSJWQZCWOHXPK-QGZVKYPTSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031979578 781310012 /nfs/dbraw/zinc/31/00/12/781310012.db2.gz ZVPMQZAUIALYAN-UHFFFAOYSA-N 2 0 329.488 2.419 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101081 781723317 /nfs/dbraw/zinc/72/33/17/781723317.db2.gz QIHCBDREBJYNTF-HOCLYGCPSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000945183868 783575407 /nfs/dbraw/zinc/57/54/07/783575407.db2.gz UGTFCAWONNKVQW-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244113 784175171 /nfs/dbraw/zinc/17/51/71/784175171.db2.gz IXCXNWBRJQPUIC-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035256511 784205696 /nfs/dbraw/zinc/20/56/96/784205696.db2.gz IHCZYFKWQYAUHH-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860820 784649388 /nfs/dbraw/zinc/64/93/88/784649388.db2.gz HYODXRBGQZRYMS-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035724493 785023092 /nfs/dbraw/zinc/02/30/92/785023092.db2.gz IZNULRLRFRNDNM-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035772443 785151765 /nfs/dbraw/zinc/15/17/65/785151765.db2.gz BEWYWHNOWHWCAS-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995900817 785799874 /nfs/dbraw/zinc/79/98/74/785799874.db2.gz ZUKWLTAJFQIZJV-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000996666097 787060703 /nfs/dbraw/zinc/06/07/03/787060703.db2.gz OVOZGZPINADGLC-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000996694718 787159112 /nfs/dbraw/zinc/15/91/12/787159112.db2.gz YWCAULVSGZHRKB-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171120627 789039801 /nfs/dbraw/zinc/03/98/01/789039801.db2.gz OPSJDIGJNYBNKU-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP [NH2+]=C(NCCCCCCNC(=[NH2+])N1CCCCC1)N1CCCCC1 ZINC000164310981 789148124 /nfs/dbraw/zinc/14/81/24/789148124.db2.gz QWKNJWBIWWGBCG-UHFFFAOYSA-N 2 0 336.528 2.148 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358933 789435290 /nfs/dbraw/zinc/43/52/90/789435290.db2.gz MXXLHDRIILIUMT-IPMKNSEASA-N 2 0 343.471 2.010 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001091100379 789803990 /nfs/dbraw/zinc/80/39/90/789803990.db2.gz RHLJWRSKOKKCMX-MQBCKMQZSA-N 2 0 346.500 2.088 20 30 EEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098950 792121486 /nfs/dbraw/zinc/12/14/86/792121486.db2.gz ZJRUGHLFOQYYSI-HZPDHXFCSA-N 2 0 327.488 2.459 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C(F)(F)F ZINC000998284536 792464416 /nfs/dbraw/zinc/46/44/16/792464416.db2.gz YRIOIKQYYCMWRK-KBPBESRZSA-N 2 0 345.409 2.170 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958489 793104148 /nfs/dbraw/zinc/10/41/48/793104148.db2.gz SKAIPWDCCQWAJB-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CC1 ZINC000999374970 794352589 /nfs/dbraw/zinc/35/25/89/794352589.db2.gz SQMKZSUJHAPJSZ-PBHICJAKSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC000992504094 794433506 /nfs/dbraw/zinc/43/35/06/794433506.db2.gz GBUVPUYQPQMXKV-PZJWPPBQSA-N 2 0 343.515 2.411 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036747004 794755077 /nfs/dbraw/zinc/75/50/77/794755077.db2.gz CAIILTZTVHEGCS-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@H]2C)CC1 ZINC001093224318 794879610 /nfs/dbraw/zinc/87/96/10/794879610.db2.gz QALPKIKHUQONFH-YQVWRLOYSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001093399505 795177069 /nfs/dbraw/zinc/17/70/69/795177069.db2.gz GWUVHVKHODHZMT-UHFFFAOYSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866945 795609040 /nfs/dbraw/zinc/60/90/40/795609040.db2.gz MWQFORTZTQSRBB-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456250 796051843 /nfs/dbraw/zinc/05/18/43/796051843.db2.gz VMAIVJBHXACNKK-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432803 796226532 /nfs/dbraw/zinc/22/65/32/796226532.db2.gz BGBYTCIVIKBYCU-QKNQBKEWSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674142 796682219 /nfs/dbraw/zinc/68/22/19/796682219.db2.gz JOHQCURCBPAJTP-KRWDZBQOSA-N 2 0 337.508 2.082 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001172312665 796952609 /nfs/dbraw/zinc/95/26/09/796952609.db2.gz IDDQAFHZCJJGHF-GOSISDBHSA-N 2 0 340.515 2.449 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176844008 798580117 /nfs/dbraw/zinc/58/01/17/798580117.db2.gz DNIBMDDNSSZHKH-IYBDPMFKSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001176925952 798630515 /nfs/dbraw/zinc/63/05/15/798630515.db2.gz FAQNVVSUACIBPS-UHFFFAOYSA-N 2 0 331.504 2.008 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001016335547 798677713 /nfs/dbraw/zinc/67/77/13/798677713.db2.gz DVZHEABJDWYWFN-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207947 801147660 /nfs/dbraw/zinc/14/76/60/801147660.db2.gz TVQORMFFUBMILC-IEBWSBKVSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592346 801681063 /nfs/dbraw/zinc/68/10/63/801681063.db2.gz INZYFXMWNGEPLQ-KDURUIRLSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184411557 802023848 /nfs/dbraw/zinc/02/38/48/802023848.db2.gz DVGMNYQTHRETTN-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184556414 802070667 /nfs/dbraw/zinc/07/06/67/802070667.db2.gz PAYGMMZPGHZYBM-ZFWWWQNUSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004455729 802114600 /nfs/dbraw/zinc/11/46/00/802114600.db2.gz ABTJMHCTLHEWEO-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457419 802118836 /nfs/dbraw/zinc/11/88/36/802118836.db2.gz KQFSXIIQPIRTIV-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC001184693167 802130096 /nfs/dbraw/zinc/13/00/96/802130096.db2.gz OSCWEFRLGYDUTH-ZWKOTPCHSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004475572 802174982 /nfs/dbraw/zinc/17/49/82/802174982.db2.gz UTRXUOVBTWVYLQ-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004538871 802310108 /nfs/dbraw/zinc/31/01/08/802310108.db2.gz CHPQKGBRUPXVNA-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622747 802484303 /nfs/dbraw/zinc/48/43/03/802484303.db2.gz YXIBFTZNBHZKGM-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205496 802492526 /nfs/dbraw/zinc/49/25/26/802492526.db2.gz UQBAOJRACWBCAL-MDNKFWRPSA-N 2 0 341.499 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CC2CC2)CC1 ZINC001005004890 803434995 /nfs/dbraw/zinc/43/49/95/803434995.db2.gz QHFPZEFYJUARGN-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086589226 808838152 /nfs/dbraw/zinc/83/81/52/808838152.db2.gz NXTFULSRFDEVCF-RSPOEFSDSA-N 2 0 341.499 2.487 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086658948 812428862 /nfs/dbraw/zinc/42/88/62/812428862.db2.gz GANLJVZCHUAMFP-IPELMVKDSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445867670 1091789243 /nfs/dbraw/zinc/78/92/43/1091789243.db2.gz GVJUWCFQJQZDEA-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001440464399 1093685808 /nfs/dbraw/zinc/68/58/08/1093685808.db2.gz LEYOYOOPEJJGFT-HNNXBMFYSA-N 2 0 348.516 2.242 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001441387515 1094939068 /nfs/dbraw/zinc/93/90/68/1094939068.db2.gz OQQPKMSMEJLYNT-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000995213117 781963494 /nfs/dbraw/zinc/96/34/94/781963494.db2.gz PVDWWOCCCFHZAK-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000491415791 533163136 /nfs/dbraw/zinc/16/31/36/533163136.db2.gz ILMGXOGIUUBVPC-UHFFFAOYSA-N 2 0 327.472 2.292 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000564989420 319135905 /nfs/dbraw/zinc/13/59/05/319135905.db2.gz KHUXOAILJUAXEA-UHFFFAOYSA-N 2 0 326.448 2.155 20 30 EEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029161 320134416 /nfs/dbraw/zinc/13/44/16/320134416.db2.gz UWWZBAMZCIGQNW-IEBWSBKVSA-N 2 0 345.487 2.400 20 30 EEEDRP C=CC[C@@H](CO)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000341254515 465076691 /nfs/dbraw/zinc/07/66/91/465076691.db2.gz FQBJKMYVXXRVKS-OAHLLOKOSA-N 2 0 337.895 2.366 20 30 EEEDRP CCCCCCNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288732640 464057664 /nfs/dbraw/zinc/05/76/64/464057664.db2.gz NXRLFHBDHNKKOW-UHFFFAOYSA-N 2 0 335.496 2.397 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264136523 464286744 /nfs/dbraw/zinc/28/67/44/464286744.db2.gz ZVWRQTOTOMRYGB-WMZOPIPTSA-N 2 0 331.508 2.068 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000299008684 465561709 /nfs/dbraw/zinc/56/17/09/465561709.db2.gz CAOYCODSWMYJBJ-UHFFFAOYSA-N 2 0 339.483 2.244 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000361798525 466299049 /nfs/dbraw/zinc/29/90/49/466299049.db2.gz MUZUICVKQZYMIJ-ROUUACIJSA-N 2 0 325.460 2.138 20 30 EEEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369295335 466724187 /nfs/dbraw/zinc/72/41/87/466724187.db2.gz VDWPYIJUDZDQRH-LJQANCHMSA-N 2 0 341.499 2.347 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417536871 466879515 /nfs/dbraw/zinc/87/95/15/466879515.db2.gz YKEOKZWLWPQKMP-GOSISDBHSA-N 2 0 330.476 2.416 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000490589251 468222952 /nfs/dbraw/zinc/22/29/52/468222952.db2.gz AFNXGALHUUJMMB-SCTDSRPQSA-N 2 0 331.504 2.195 20 30 EEEDRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(C)(C)C[NH+](C)C ZINC000582840733 468604319 /nfs/dbraw/zinc/60/43/19/468604319.db2.gz IZDHVIHVSAUNOO-DOTOQJQBSA-N 2 0 333.476 2.058 20 30 EEEDRP N#CC[C@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000592523321 468719317 /nfs/dbraw/zinc/71/93/17/468719317.db2.gz KURZSEHCXCIZAK-IBGZPJMESA-N 2 0 329.444 2.012 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000598609617 468932258 /nfs/dbraw/zinc/93/22/58/468932258.db2.gz SXNGJUOHZNTSDK-ULQDDVLXSA-N 2 0 325.497 2.014 20 30 EEEDRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1C#N ZINC000618594217 469398907 /nfs/dbraw/zinc/39/89/07/469398907.db2.gz SFAIPDLGNCURHZ-FQEVSTJZSA-N 2 0 326.488 2.467 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000609133551 469894523 /nfs/dbraw/zinc/89/45/23/469894523.db2.gz URDNKDUPQCWRCM-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635531929 470638371 /nfs/dbraw/zinc/63/83/71/470638371.db2.gz WXTDMHBZUJVVJS-UHFFFAOYSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377196488 527017790 /nfs/dbraw/zinc/01/77/90/527017790.db2.gz IWNJJWUCFPJRPP-GOSISDBHSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)C(C)C ZINC000105139767 527645442 /nfs/dbraw/zinc/64/54/42/527645442.db2.gz MHFUUBGMRADOPC-SFHVURJKSA-N 2 0 336.524 2.326 20 30 EEEDRP C#CCN1CCN(C(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000774815532 577419318 /nfs/dbraw/zinc/41/93/18/577419318.db2.gz PHTZHARAEMTUPG-IBGZPJMESA-N 2 0 327.472 2.141 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000764076969 577730767 /nfs/dbraw/zinc/73/07/67/577730767.db2.gz RTKIYQZPLFGLKH-GOSISDBHSA-N 2 0 333.476 2.312 20 30 EEEDRP Cc1csc(CON=C(N)c2ccc(CN3CCOCC3)cc2)n1 ZINC000755944339 577835102 /nfs/dbraw/zinc/83/51/02/577835102.db2.gz XDOXQXWGHWSPIV-UHFFFAOYSA-N 2 0 346.456 2.121 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000969458214 675050101 /nfs/dbraw/zinc/05/01/01/675050101.db2.gz KVJWWCKSAAFWMI-MRXNPFEDSA-N 2 0 335.879 2.347 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001020591513 675224525 /nfs/dbraw/zinc/22/45/25/675224525.db2.gz PLZAVUBSOLSTJB-IYARVYRRSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638401 676293903 /nfs/dbraw/zinc/29/39/03/676293903.db2.gz DSRGNSMAPGURHC-UYAOXDASSA-N 2 0 348.450 2.432 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021667386 676321535 /nfs/dbraw/zinc/32/15/35/676321535.db2.gz DFSAEBPJXKLBDY-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700005 676359039 /nfs/dbraw/zinc/35/90/39/676359039.db2.gz MDIYYOBLIBYRKG-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022435818 676900549 /nfs/dbraw/zinc/90/05/49/676900549.db2.gz BTWXMDFHTPJGDS-HDICACEKSA-N 2 0 345.406 2.257 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262360208 679304022 /nfs/dbraw/zinc/30/40/22/679304022.db2.gz GQAJXSFDDLDEEF-KSZLIROESA-N 2 0 348.535 2.396 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001023553996 679374528 /nfs/dbraw/zinc/37/45/28/679374528.db2.gz DUABFHQASCBPFE-IEBWSBKVSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984800135 685275384 /nfs/dbraw/zinc/27/53/84/685275384.db2.gz OMTBDDPDSSOVAW-BXWFABGCSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028604308 681361991 /nfs/dbraw/zinc/36/19/91/681361991.db2.gz UQDOESUGCUQKAB-MOPGFXCFSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2CC(=C)Cl)CC1 ZINC001024812680 681465665 /nfs/dbraw/zinc/46/56/65/681465665.db2.gz RBSBMBILTVJVCC-KRWDZBQOSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001025168448 682143856 /nfs/dbraw/zinc/14/38/56/682143856.db2.gz FWGWZPBBZVEJGZ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802589 682257567 /nfs/dbraw/zinc/25/75/67/682257567.db2.gz QVNOFSMQWLSWFW-GOSISDBHSA-N 2 0 329.488 2.419 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3cnc(C)c3)C[C@@H]21 ZINC000992724551 683305778 /nfs/dbraw/zinc/30/57/78/683305778.db2.gz DDVHIKXVLBEEOU-YESZJQIVSA-N 2 0 330.476 2.329 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987292899 689572605 /nfs/dbraw/zinc/57/26/05/689572605.db2.gz NAPGGOMEPASYGL-GOEBONIOSA-N 2 0 327.900 2.438 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413207 1186826423 /nfs/dbraw/zinc/82/64/23/1186826423.db2.gz ALISMKDOICLPCE-CVEARBPZSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752832781 1187614439 /nfs/dbraw/zinc/61/44/39/1187614439.db2.gz JLRIUYMJEYHLCD-MOPGFXCFSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539218 1188160278 /nfs/dbraw/zinc/16/02/78/1188160278.db2.gz BKUWIMREFSPYNI-GUDVDZBRSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574707 1188188648 /nfs/dbraw/zinc/18/86/48/1188188648.db2.gz FQJNIDASAMESGH-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272869757 1193585790 /nfs/dbraw/zinc/58/57/90/1193585790.db2.gz BDBGIDUJMJXANV-IBGZPJMESA-N 2 0 334.508 2.335 20 30 EEEDRP C=CCN1C(=O)C[C@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273128148 1194411463 /nfs/dbraw/zinc/41/14/63/1194411463.db2.gz PBMCORZYXLIRRP-FQEVSTJZSA-N 2 0 347.503 2.136 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001034792331 1196734859 /nfs/dbraw/zinc/73/48/59/1196734859.db2.gz GKZJMTQWZMBSRX-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001034975348 1196932853 /nfs/dbraw/zinc/93/28/53/1196932853.db2.gz RQRAIGQYCIEWEB-QZTJIDSGSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132931858 1200209006 /nfs/dbraw/zinc/20/90/06/1200209006.db2.gz DUNADLJKMVUIOJ-ROUUACIJSA-N 2 0 342.487 2.005 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133011830 1200333614 /nfs/dbraw/zinc/33/36/14/1200333614.db2.gz NAURCVHAMSCSLS-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000104162701 1204611389 /nfs/dbraw/zinc/61/13/89/1204611389.db2.gz FDCNHCTVIAQEKN-MRXNPFEDSA-N 2 0 332.492 2.358 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001275327435 1205310331 /nfs/dbraw/zinc/31/03/31/1205310331.db2.gz SQXLVJZKJWOPHS-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cccc(C#N)c3Cl)[C@@H]2C1 ZINC001276127256 1205790022 /nfs/dbraw/zinc/79/00/22/1205790022.db2.gz CHDKKMXCOOSWDO-DOTOQJQBSA-N 2 0 332.879 2.279 20 30 EEEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncn1C)C2 ZINC001111274485 1209197081 /nfs/dbraw/zinc/19/70/81/1209197081.db2.gz FDMJCKNRNSFWQQ-NXHRZFHOSA-N 2 0 330.476 2.431 20 30 EEEDRP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948983266 1209488155 /nfs/dbraw/zinc/48/81/55/1209488155.db2.gz XTDCUPUQDVCAOZ-LJQANCHMSA-N 2 0 339.483 2.374 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN(C)c1ccccc1F ZINC000303896094 1213922029 /nfs/dbraw/zinc/92/20/29/1213922029.db2.gz UFCACFXMSKHEAV-HNNXBMFYSA-N 2 0 335.471 2.041 20 30 EEEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCOCC2)c2ccccc2)CC1 ZINC000303904639 1213924201 /nfs/dbraw/zinc/92/42/01/1213924201.db2.gz YXKBPFOJNOHWSC-GOSISDBHSA-N 2 0 330.476 2.107 20 30 EEEDRP C[NH+]=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC1CC1 ZINC000304683709 1216091614 /nfs/dbraw/zinc/09/16/14/1216091614.db2.gz FPVGFTOTSDLSSI-UHFFFAOYSA-N 2 0 344.503 2.385 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197839 1217083291 /nfs/dbraw/zinc/08/32/91/1217083291.db2.gz HANPASOXNWMOEV-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230127 1217099285 /nfs/dbraw/zinc/09/92/85/1217099285.db2.gz KLTMRXQSZXMAAK-OALUTQOASA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CCC)C3)C2)CC1 ZINC000961290946 1217131256 /nfs/dbraw/zinc/13/12/56/1217131256.db2.gz FDGUJIDZKFUGCI-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373621 1217163072 /nfs/dbraw/zinc/16/30/72/1217163072.db2.gz IGPAJGARYSCTIF-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326919 1217521929 /nfs/dbraw/zinc/52/19/29/1217521929.db2.gz ZSAUSUGOGLDWOP-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894232 1222488386 /nfs/dbraw/zinc/48/83/86/1222488386.db2.gz HIWDLQHHPJVGOT-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001016820168 1226903627 /nfs/dbraw/zinc/90/36/27/1226903627.db2.gz PDKIZSCMVWYAHK-SJLPKXTDSA-N 2 0 342.487 2.301 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828229 1226908718 /nfs/dbraw/zinc/90/87/18/1226908718.db2.gz DWYIWVSSIFEJAK-CABCVRRESA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016931654 1226979502 /nfs/dbraw/zinc/97/95/02/1226979502.db2.gz SXHLAFRSDNFKEW-KRWDZBQOSA-N 2 0 328.460 2.308 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130424 1230338576 /nfs/dbraw/zinc/33/85/76/1230338576.db2.gz OVOSVPNWSBZJGR-VQTJNVASSA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167132 1230390381 /nfs/dbraw/zinc/39/03/81/1230390381.db2.gz MSCDXNYHHANHGF-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039309739 1230520293 /nfs/dbraw/zinc/52/02/93/1230520293.db2.gz YLXMHOBWYHHCQW-YQQQUEKLSA-N 2 0 339.483 2.497 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473511 1230637718 /nfs/dbraw/zinc/63/77/18/1230637718.db2.gz PHLWBCBDZOMIQW-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040894717 1231398611 /nfs/dbraw/zinc/39/86/11/1231398611.db2.gz NNMAVEXTUIMXBF-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040900752 1231400692 /nfs/dbraw/zinc/40/06/92/1231400692.db2.gz BMNZPGYRZQNODC-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063235 1231862297 /nfs/dbraw/zinc/86/22/97/1231862297.db2.gz SUABWCKJRSAPQV-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673965 1233899541 /nfs/dbraw/zinc/89/95/41/1233899541.db2.gz ZZNSXLJTWCIVEG-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)CC)CC1 ZINC001045895203 1234127317 /nfs/dbraw/zinc/12/73/17/1234127317.db2.gz AOIAJDOMKFHDNC-RLLQIKCJSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943810 1234203310 /nfs/dbraw/zinc/20/33/10/1234203310.db2.gz PJHOSGLUWMQFIH-CTNGQTDRSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470553 1234839883 /nfs/dbraw/zinc/83/98/83/1234839883.db2.gz LNTDJTVHANKVFM-IBGZPJMESA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001054929077 1249401239 /nfs/dbraw/zinc/40/12/39/1249401239.db2.gz DLRMCVCRVMCULE-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864488 1235262046 /nfs/dbraw/zinc/26/20/46/1235262046.db2.gz VGIZWESHUICOLH-IBGZPJMESA-N 2 0 331.460 2.339 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001046994743 1235407469 /nfs/dbraw/zinc/40/74/69/1235407469.db2.gz LSBGMRJYJNSSGW-GJZGRUSLSA-N 2 0 329.435 2.120 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107417 1240018290 /nfs/dbraw/zinc/01/82/90/1240018290.db2.gz ISEIGRYOWJZRHR-ZSYWTGECSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000684597 1240728335 /nfs/dbraw/zinc/72/83/35/1240728335.db2.gz CLOROFXXKDKAER-IBGZPJMESA-N 2 0 343.515 2.413 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(=C)C)CC1 ZINC001049909355 1242655771 /nfs/dbraw/zinc/65/57/71/1242655771.db2.gz AHDSYULJNQZMFQ-WOJBJXKFSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]32)CC1 ZINC001050208940 1243124656 /nfs/dbraw/zinc/12/46/56/1243124656.db2.gz WQXCKPSLPQHSDH-SDNFCERYSA-N 2 0 349.906 2.007 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050766125 1244320502 /nfs/dbraw/zinc/32/05/02/1244320502.db2.gz KAUHBJFTVURZNB-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101367030 1245722047 /nfs/dbraw/zinc/72/20/47/1245722047.db2.gz ZYLHJVZLOHHGPY-CTNGQTDRSA-N 2 0 341.499 2.127 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099893 1245904896 /nfs/dbraw/zinc/90/48/96/1245904896.db2.gz BYZSIPHYXWBZGP-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001101582238 1245990207 /nfs/dbraw/zinc/99/02/07/1245990207.db2.gz FQBZVXQPQOJIEP-OALUTQOASA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054245531 1247860427 /nfs/dbraw/zinc/86/04/27/1247860427.db2.gz VDWRXNJZNQVTMR-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001491119435 1258715893 /nfs/dbraw/zinc/71/58/93/1258715893.db2.gz FAQASSNDNSMKLM-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001101039695 1259603673 /nfs/dbraw/zinc/60/36/73/1259603673.db2.gz YUWYTGJEAXDACZ-UHFFFAOYSA-N 2 0 346.450 2.022 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCC=C)[C@@H](C)C2)CC1 ZINC001185727638 1278766730 /nfs/dbraw/zinc/76/67/30/1278766730.db2.gz BABPIPRHCWYMTM-AZUAARDMSA-N 2 0 345.531 2.372 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185780008 1278779244 /nfs/dbraw/zinc/77/92/44/1278779244.db2.gz ROZKOJQVYPXDNR-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001188090518 1279761414 /nfs/dbraw/zinc/76/14/14/1279761414.db2.gz FODUNCDQGXITNH-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801408 1280520162 /nfs/dbraw/zinc/52/01/62/1280520162.db2.gz FIOUVCTWUHSIEY-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001192385391 1281960542 /nfs/dbraw/zinc/96/05/42/1281960542.db2.gz GXJAVUHJEVRELH-OALUTQOASA-N 2 0 345.462 2.050 20 30 EEEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277671 1289437768 /nfs/dbraw/zinc/43/77/68/1289437768.db2.gz XDNBSTCGKSEVPV-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201318464 1289473851 /nfs/dbraw/zinc/47/38/51/1289473851.db2.gz NFDOGBDNRQMMIN-KRWDZBQOSA-N 2 0 327.513 2.116 20 30 EEEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000852099101 1291991684 /nfs/dbraw/zinc/99/16/84/1291991684.db2.gz DQYHCOAPXZGVGV-NRFANRHFSA-N 2 0 341.499 2.421 20 30 EEEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001219110884 1297929375 /nfs/dbraw/zinc/92/93/75/1297929375.db2.gz XMTVNZLZDIIPML-AWEZNQCLSA-N 2 0 336.411 2.140 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548753 1299210124 /nfs/dbraw/zinc/21/01/24/1299210124.db2.gz ZYYCBLLVRJIWBI-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1 ZINC001099555685 1299217226 /nfs/dbraw/zinc/21/72/26/1299217226.db2.gz BROCSMXZJQVDOR-HAGHYFMRSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222072772 1299323786 /nfs/dbraw/zinc/32/37/86/1299323786.db2.gz LXQKWJYMAPPOHB-MRXNPFEDSA-N 2 0 331.460 2.339 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571053 1301069236 /nfs/dbraw/zinc/06/92/36/1301069236.db2.gz HEYCRLYLNWCVQR-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH+](CCCNC(=O)C[N@H+]1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846433 1303496967 /nfs/dbraw/zinc/49/69/67/1303496967.db2.gz JFNFHNGSZBGDJM-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP COc1cc(C#N)ccc1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001231620522 1303868203 /nfs/dbraw/zinc/86/82/03/1303868203.db2.gz CWOIVQFKQTVOLO-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C=CCCC[N@@H+]1CCc2nc(C(=O)NC3CC[NH+](C)CC3)ccc2C1 ZINC001277779992 1304397435 /nfs/dbraw/zinc/39/74/35/1304397435.db2.gz YHRPXEOBUFJFMP-UHFFFAOYSA-N 2 0 342.487 2.230 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592024 1305466033 /nfs/dbraw/zinc/46/60/33/1305466033.db2.gz PGJRSADKQFUXIO-UHFFFAOYSA-N 2 0 331.504 2.294 20 30 EEEDRP C=CCOc1ccc(CN2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236039525 1305483481 /nfs/dbraw/zinc/48/34/81/1305483481.db2.gz XDXJAGNCSBZZJX-YLJYHZDGSA-N 2 0 344.455 2.226 20 30 EEEDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#Cc2ccccc2)s1 ZINC001236083511 1305498317 /nfs/dbraw/zinc/49/83/17/1305498317.db2.gz SLLTVMLQDBQPJM-UHFFFAOYSA-N 2 0 339.508 2.485 20 30 EEEDRP COc1cc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)ccc1C#N ZINC001238416683 1308857756 /nfs/dbraw/zinc/85/77/56/1308857756.db2.gz QHPVJMUSQQVVPK-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001122055347 1310210712 /nfs/dbraw/zinc/21/07/12/1310210712.db2.gz AVSFBVUJLOBIRN-RVTZPOIJSA-N 2 0 339.483 2.114 20 30 EEEDRP CCCCCCCC[C@@H](O)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001246050173 1310221980 /nfs/dbraw/zinc/22/19/80/1310221980.db2.gz FNQPRKJRYGUUMP-LJQANCHMSA-N 2 0 325.541 2.468 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246388991 1310296646 /nfs/dbraw/zinc/29/66/46/1310296646.db2.gz HYNKNZOXZMMSNY-IRXDYDNUSA-N 2 0 332.879 2.238 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246425437 1310309296 /nfs/dbraw/zinc/30/92/96/1310309296.db2.gz KDOWUYSHOPGQJD-MSOLQXFVSA-N 2 0 346.906 2.486 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103623 1315055358 /nfs/dbraw/zinc/05/53/58/1315055358.db2.gz LWMFCNDXRLUONZ-DLBZAZTESA-N 2 0 331.504 2.290 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023959 1316130146 /nfs/dbraw/zinc/13/01/46/1316130146.db2.gz ZZKZGDKUTOVFAL-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626095 1316320753 /nfs/dbraw/zinc/32/07/53/1316320753.db2.gz SPHXZSRLCHAKHB-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001152330008 1316657555 /nfs/dbraw/zinc/65/75/55/1316657555.db2.gz HITRDIAQANYRTQ-ZWKOTPCHSA-N 2 0 333.520 2.254 20 30 EEEDRP C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155247206 1317520354 /nfs/dbraw/zinc/52/03/54/1317520354.db2.gz DBAIRBIIQURIEO-LBPRGKRZSA-N 2 0 332.411 2.348 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001158403381 1319221343 /nfs/dbraw/zinc/22/13/43/1319221343.db2.gz HSJXETLSCGIIMG-ZWKOTPCHSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158689936 1319379029 /nfs/dbraw/zinc/37/90/29/1319379029.db2.gz XDGVKWODAIGTNZ-LJQANCHMSA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787226 1320268320 /nfs/dbraw/zinc/26/83/20/1320268320.db2.gz KPEYTTDOVMCMBQ-LJQANCHMSA-N 2 0 329.488 2.023 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)(COC)CC1 ZINC001162320141 1320819872 /nfs/dbraw/zinc/81/98/72/1320819872.db2.gz HWRRYDTVBYPOII-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001162832221 1320970238 /nfs/dbraw/zinc/97/02/38/1320970238.db2.gz LOEICBFIWCIGSH-FQEVSTJZSA-N 2 0 341.499 2.011 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001162836463 1320970630 /nfs/dbraw/zinc/97/06/30/1320970630.db2.gz JJEKGIAVYZXGOG-FQEVSTJZSA-N 2 0 343.515 2.257 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001166890408 1321810316 /nfs/dbraw/zinc/81/03/16/1321810316.db2.gz IGUISQGFKGUXCD-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001166896821 1321811879 /nfs/dbraw/zinc/81/18/79/1321811879.db2.gz NHKWLINTYCRGTC-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC/C=C\CC)CC2)CC1 ZINC001203869527 1321979191 /nfs/dbraw/zinc/97/91/91/1321979191.db2.gz JXPILENOABOKPR-WAYWQWQTSA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948082 1323733625 /nfs/dbraw/zinc/73/36/25/1323733625.db2.gz UIXWKNLCXOQXTO-GASCZTMLSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209642144 1324997594 /nfs/dbraw/zinc/99/75/94/1324997594.db2.gz MLUXNVBLWLWLHP-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP N#Cc1ccnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276686466 1325326847 /nfs/dbraw/zinc/32/68/47/1325326847.db2.gz DPJBMPFEELPFSC-HDICACEKSA-N 2 0 336.443 2.020 20 30 EEEDRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001492034638 1330458401 /nfs/dbraw/zinc/45/84/01/1330458401.db2.gz KZNOHYCQMDDKCR-OAHLLOKOSA-N 2 0 328.460 2.027 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001574925002 1343712586 /nfs/dbraw/zinc/71/25/86/1343712586.db2.gz FATVYYNHIFIUGR-IRXDYDNUSA-N 2 0 344.507 2.342 20 30 EEEDRP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069578 1344462813 /nfs/dbraw/zinc/46/28/13/1344462813.db2.gz DIKULRBJHSWCBH-HUUCEWRRSA-N 2 0 346.862 2.472 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCCO1 ZINC001202140858 1368879300 /nfs/dbraw/zinc/87/93/00/1368879300.db2.gz HFZYHBYIQMMYIM-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001366181688 1373820908 /nfs/dbraw/zinc/82/09/08/1373820908.db2.gz RGCSYXBTCGQQDK-OALUTQOASA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001370219698 1374847243 /nfs/dbraw/zinc/84/72/43/1374847243.db2.gz XDNOUNHLYMZHNK-RTBURBONSA-N 2 0 342.487 2.129 20 30 EEEDRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001370525164 1374973739 /nfs/dbraw/zinc/97/37/39/1374973739.db2.gz XHTSZGKZECETDV-IYARVYRRSA-N 2 0 342.487 2.273 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001379137708 1380565332 /nfs/dbraw/zinc/56/53/32/1380565332.db2.gz QAGKFSSPXRYWOC-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391310574 1389237604 /nfs/dbraw/zinc/23/76/04/1389237604.db2.gz GNWNSXHMAHDVDT-WMLDXEAASA-N 2 0 346.500 2.042 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001393039535 1390290165 /nfs/dbraw/zinc/29/01/65/1390290165.db2.gz QSFIEPDGSDGCNZ-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001393564443 1390474075 /nfs/dbraw/zinc/47/40/75/1390474075.db2.gz WZOFBPULJHTTLO-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001394569836 1390731772 /nfs/dbraw/zinc/73/17/72/1390731772.db2.gz XOLVYJYCMBRJHU-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001398532750 1393151633 /nfs/dbraw/zinc/15/16/33/1393151633.db2.gz LZAJMUCXKTZOIU-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877994 1394346586 /nfs/dbraw/zinc/34/65/86/1394346586.db2.gz FLIAXPPJAYZKLP-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001399333956 1394981092 /nfs/dbraw/zinc/98/10/92/1394981092.db2.gz FUUVIVSDKMZEQH-CQSZACIVSA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CC ZINC001754469333 1406914517 /nfs/dbraw/zinc/91/45/17/1406914517.db2.gz UXKUHWMBWZTQRO-MOPGFXCFSA-N 2 0 333.520 2.493 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001402168221 1397812462 /nfs/dbraw/zinc/81/24/62/1397812462.db2.gz DUHRFSOWHKZMIF-HXUWFJFHSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001754945191 1407006102 /nfs/dbraw/zinc/00/61/02/1407006102.db2.gz SNHODPOMMDHRQF-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001423477005 1400595361 /nfs/dbraw/zinc/59/53/61/1400595361.db2.gz JPHKKBJPPWUTGU-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CC[C@@]1(C(=O)NCc2ccccc2C[NH+](CC)CC)CCC[NH2+]1 ZINC001574516523 1403521677 /nfs/dbraw/zinc/52/16/77/1403521677.db2.gz GYDYRYMLAKOOBT-FQEVSTJZSA-N 2 0 327.472 2.290 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001732437502 1405959154 /nfs/dbraw/zinc/95/91/54/1405959154.db2.gz RGJDFDDYABTGCI-PKOBYXMFSA-N 2 0 329.488 2.061 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001755713031 1407766913 /nfs/dbraw/zinc/76/69/13/1407766913.db2.gz TUCQOJDRIXICQL-CEXWTWQISA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001755770234 1407830910 /nfs/dbraw/zinc/83/09/10/1407830910.db2.gz QJZDZDCXZFVODB-KGLIPLIRSA-N 2 0 335.414 2.129 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121475314 1410228382 /nfs/dbraw/zinc/22/83/82/1410228382.db2.gz URTFNRZSZUCEDU-UHFFFAOYSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115107552 1410971647 /nfs/dbraw/zinc/97/16/47/1410971647.db2.gz DOGYRVJCNKWYFW-XFKSJGNHSA-N 2 0 327.472 2.086 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)[C@@H]2CC)CC1 ZINC001087839146 782348930 /nfs/dbraw/zinc/34/89/30/782348930.db2.gz NKAXXRJEOPFWDG-APDXYKNESA-N 2 0 337.895 2.053 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001168030985 782423713 /nfs/dbraw/zinc/42/37/13/782423713.db2.gz WMDKGAGLXJYXAU-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232726 757537046 /nfs/dbraw/zinc/53/70/46/757537046.db2.gz NYVWZOZRDPFCKC-GOSISDBHSA-N 2 0 325.472 2.261 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001167639708 760804092 /nfs/dbraw/zinc/80/40/92/760804092.db2.gz DWBYGQBEQNSSNH-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)C[C@H](C)O2 ZINC001098609446 765423302 /nfs/dbraw/zinc/42/33/02/765423302.db2.gz BUOADQLMFSWFBM-ZWKOTPCHSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908125 765546663 /nfs/dbraw/zinc/54/66/63/765546663.db2.gz KIFDXZORTRZQNB-FVQBIDKESA-N 2 0 327.900 2.155 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980212184 774103208 /nfs/dbraw/zinc/10/32/08/774103208.db2.gz IGEBEGLMKULNAT-XHSDSOJGSA-N 2 0 328.460 2.164 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686731 774320088 /nfs/dbraw/zinc/32/00/88/774320088.db2.gz XJLXFQBMIJOETF-BZSNNMDCSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000980464546 774664318 /nfs/dbraw/zinc/66/43/18/774664318.db2.gz COBMUGSENHIDBP-MRXNPFEDSA-N 2 0 333.501 2.215 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779829 783199790 /nfs/dbraw/zinc/19/97/90/783199790.db2.gz UEESGTLOFVWFPS-YESZJQIVSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981222292 776870242 /nfs/dbraw/zinc/87/02/42/776870242.db2.gz YQUUXNLQHRPOSW-CABCVRRESA-N 2 0 325.416 2.084 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865426 778420352 /nfs/dbraw/zinc/42/03/52/778420352.db2.gz RMWRWARMODNRIC-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159966 781670004 /nfs/dbraw/zinc/67/00/04/781670004.db2.gz JVXPMSCVTFEZAJ-MGPQQGTHSA-N 2 0 335.414 2.128 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395773 781889112 /nfs/dbraw/zinc/88/91/12/781889112.db2.gz FGYKIJXTUMWIEL-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000809624795 783249580 /nfs/dbraw/zinc/24/95/80/783249580.db2.gz PNZXOGBLHOVVQH-UHFFFAOYSA-N 2 0 341.499 2.384 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035225865 784110484 /nfs/dbraw/zinc/11/04/84/784110484.db2.gz BKKPFCGONZDOAY-GOEBONIOSA-N 2 0 339.911 2.251 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939379 784831309 /nfs/dbraw/zinc/83/13/09/784831309.db2.gz ZDIROSLZNUBVIS-HOTGVXAUSA-N 2 0 340.471 2.027 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979028 784903679 /nfs/dbraw/zinc/90/36/79/784903679.db2.gz AYMYYLWGHCWHPK-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001091100378 789804431 /nfs/dbraw/zinc/80/44/31/789804431.db2.gz RHLJWRSKOKKCMX-KVULBXGLSA-N 2 0 346.500 2.088 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585546 791337924 /nfs/dbraw/zinc/33/79/24/791337924.db2.gz ZVBVURBFIBTVHG-IRXDYDNUSA-N 2 0 347.503 2.437 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591876 791360526 /nfs/dbraw/zinc/36/05/26/791360526.db2.gz HUYVDUFIHHVQFH-IAGOWNOFSA-N 2 0 347.478 2.390 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001147780394 791952652 /nfs/dbraw/zinc/95/26/52/791952652.db2.gz KKKBUJJHAVGFCM-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001148570566 792514907 /nfs/dbraw/zinc/51/49/07/792514907.db2.gz HCHHJPSKNYVKMD-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629341 792586265 /nfs/dbraw/zinc/58/62/65/792586265.db2.gz AXFVUAWHMALABF-OALUTQOASA-N 2 0 327.472 2.266 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923069 792992129 /nfs/dbraw/zinc/99/21/29/792992129.db2.gz HSWVPVBNNCOXIR-FUHWJXTLSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947261 793048300 /nfs/dbraw/zinc/04/83/00/793048300.db2.gz SOLBEDUSQOQGNO-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000999362521 794362247 /nfs/dbraw/zinc/36/22/47/794362247.db2.gz BGAHLGVBZFIAPB-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079149783 794380401 /nfs/dbraw/zinc/38/04/01/794380401.db2.gz LDBINFZFPHHBCQ-OTWHNJEPSA-N 2 0 345.462 2.380 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001093400333 795178681 /nfs/dbraw/zinc/17/86/81/795178681.db2.gz RKWQHROJLFGVNA-QPIRBTGLSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106250058 795290533 /nfs/dbraw/zinc/29/05/33/795290533.db2.gz XKYISKJJYPJYFX-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106477028 795675233 /nfs/dbraw/zinc/67/52/33/795675233.db2.gz FAOCMIYWNSQTIX-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574587 795863004 /nfs/dbraw/zinc/86/30/04/795863004.db2.gz KZPQIMWINZZFJP-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457255 796267359 /nfs/dbraw/zinc/26/73/59/796267359.db2.gz ZHVPGVKETVRGRZ-QWFCFKBJSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585090 796467999 /nfs/dbraw/zinc/46/79/99/796467999.db2.gz MXOGYQSSLGZRSP-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618869 796662037 /nfs/dbraw/zinc/66/20/37/796662037.db2.gz NDRBIGKQAARKIP-KRWDZBQOSA-N 2 0 330.476 2.196 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993579333 796806662 /nfs/dbraw/zinc/80/66/62/796806662.db2.gz SFCQUTUQNUOBOC-DOTOQJQBSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078725262 796884550 /nfs/dbraw/zinc/88/45/50/796884550.db2.gz MPPJPNOLFLAIQW-RTBURBONSA-N 2 0 339.483 2.055 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972066 797176367 /nfs/dbraw/zinc/17/63/67/797176367.db2.gz WAZQFVXNRAZJAS-JYJNAYRXSA-N 2 0 336.480 2.209 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972070 797176453 /nfs/dbraw/zinc/17/64/53/797176453.db2.gz WAZQFVXNRAZJAS-XHSDSOJGSA-N 2 0 336.480 2.209 20 30 EEEDRP CC1(C#N)CCC([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1 ZINC001173590449 797549801 /nfs/dbraw/zinc/54/98/01/797549801.db2.gz JLEOLHMJBPQTHK-UHFFFAOYSA-N 2 0 349.475 2.055 20 30 EEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175297362 798052315 /nfs/dbraw/zinc/05/23/15/798052315.db2.gz VODURPOZJLGAIC-IBGZPJMESA-N 2 0 343.515 2.449 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663091 798355024 /nfs/dbraw/zinc/35/50/24/798355024.db2.gz LSRQHZXMDDGCEQ-GPMSIDNRSA-N 2 0 337.483 2.308 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723390 798403646 /nfs/dbraw/zinc/40/36/46/798403646.db2.gz FTRXOOBEEZUHTI-RTBURBONSA-N 2 0 327.472 2.471 20 30 EEEDRP C=C(Cl)CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803286 798624392 /nfs/dbraw/zinc/62/43/92/798624392.db2.gz UPCVVBQYAOVPCF-GDBMZVCRSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001177398562 798921333 /nfs/dbraw/zinc/92/13/33/798921333.db2.gz SBYYPYUHKOYLBK-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261948806 799679269 /nfs/dbraw/zinc/67/92/69/799679269.db2.gz GRSIKDARQPFUQU-WMZOPIPTSA-N 2 0 346.523 2.216 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001179538374 799982741 /nfs/dbraw/zinc/98/27/41/799982741.db2.gz BFVQHBZTORZXNC-RDJZCZTQSA-N 2 0 346.475 2.429 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108206631 801117729 /nfs/dbraw/zinc/11/77/29/801117729.db2.gz HILKIIOGZJYVTK-HKUYNNGSSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832810 801380988 /nfs/dbraw/zinc/38/09/88/801380988.db2.gz RPCOPGHTIIBGEZ-AQNXPRMDSA-N 2 0 341.499 2.441 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183143875 801485518 /nfs/dbraw/zinc/48/55/18/801485518.db2.gz WMKFSCFHWFSGFM-UIFIKXQLSA-N 2 0 341.499 2.171 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001183509204 801632796 /nfs/dbraw/zinc/63/27/96/801632796.db2.gz DIWBOMDLXVPDRG-DYESRHJHSA-N 2 0 341.499 2.459 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595404 801715769 /nfs/dbraw/zinc/71/57/69/801715769.db2.gz XQAHUGVJQAJUTM-AKHDSKFASA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085487 802106157 /nfs/dbraw/zinc/10/61/57/802106157.db2.gz HNACMYFOXFNTIT-WCVJEAGWSA-N 2 0 325.884 2.098 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001151410148 802173716 /nfs/dbraw/zinc/17/37/16/802173716.db2.gz RDHYTRAVWPKAIJ-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521062 802281793 /nfs/dbraw/zinc/28/17/93/802281793.db2.gz FKMXBJOXNNVQGM-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004566002 802381489 /nfs/dbraw/zinc/38/14/89/802381489.db2.gz BLGFFAJHHHCPFD-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086399740 802896460 /nfs/dbraw/zinc/89/64/60/802896460.db2.gz KPGCEONHOMRXFX-KLHDSHLOSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001108285211 803171191 /nfs/dbraw/zinc/17/11/91/803171191.db2.gz RUYRPFFSNJPIHW-MJGOQNOKSA-N 2 0 339.524 2.136 20 30 EEEDRP CC(=O)N1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527591 803825702 /nfs/dbraw/zinc/82/57/02/803825702.db2.gz XICTWEGQPGGMMW-VAMGGRTRSA-N 2 0 340.471 2.251 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130711095 811959844 /nfs/dbraw/zinc/95/98/44/811959844.db2.gz NDZQPHFLCHCCJQ-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC001449023672 1094030711 /nfs/dbraw/zinc/03/07/11/1094030711.db2.gz WRKQLHXJRSVSNE-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310473 1098868958 /nfs/dbraw/zinc/86/89/58/1098868958.db2.gz PXTJRQPWPJPYES-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001496598699 1101199499 /nfs/dbraw/zinc/19/94/99/1101199499.db2.gz ONWDNNZWDSMSJO-INIZCTEOSA-N 2 0 348.516 2.192 20 30 EEEDRP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497254940 1102200620 /nfs/dbraw/zinc/20/06/20/1102200620.db2.gz WMYQZEJMQZQHSG-QAPCUYQASA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001447341710 1102483514 /nfs/dbraw/zinc/48/35/14/1102483514.db2.gz GWVWRODDCWYZDK-VQIMIIECSA-N 2 0 342.487 2.179 20 30 EEEDRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480790901 1107122130 /nfs/dbraw/zinc/12/21/30/1107122130.db2.gz SRJOJXLIMWGGCN-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001503263260 1113882861 /nfs/dbraw/zinc/88/28/61/1113882861.db2.gz BFMSZIVLPKZGSK-ICSRJNTNSA-N 2 0 341.499 2.397 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000104162675 237085005 /nfs/dbraw/zinc/08/50/05/237085005.db2.gz NBLOCLKUSNSMEN-INIZCTEOSA-N 2 0 332.492 2.358 20 30 EEEDRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C#N ZINC000191470069 152257743 /nfs/dbraw/zinc/25/77/43/152257743.db2.gz LOSCEWDFZHGKLE-UHFFFAOYSA-N 2 0 330.476 2.221 20 30 EEEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000285149247 267179865 /nfs/dbraw/zinc/17/98/65/267179865.db2.gz PCRGJLJSJBOMNG-AQXGTKIOSA-N 2 0 340.471 2.292 20 30 EEEDRP C=CCN1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865077 275745175 /nfs/dbraw/zinc/74/51/75/275745175.db2.gz XBCMFRZAFFQGAO-ICSRJNTNSA-N 2 0 327.472 2.482 20 30 EEEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000573765828 319963761 /nfs/dbraw/zinc/96/37/61/319963761.db2.gz AXDCEHDZAZSGBA-FQEVSTJZSA-N 2 0 347.466 2.482 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000123254261 463327306 /nfs/dbraw/zinc/32/73/06/463327306.db2.gz YYGVNSBLWALISK-IBGZPJMESA-N 2 0 345.487 2.352 20 30 EEEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150752232 463420378 /nfs/dbraw/zinc/42/03/78/463420378.db2.gz ITHXJGJFFXDINI-QGZVFWFLSA-N 2 0 326.444 2.305 20 30 EEEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CCN(c2cccs2)CC1 ZINC000261747683 463848709 /nfs/dbraw/zinc/84/87/09/463848709.db2.gz LLBFNTRTGLNPEF-MRXNPFEDSA-N 2 0 349.548 2.177 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000178903911 464009983 /nfs/dbraw/zinc/00/99/83/464009983.db2.gz XEFBANXVPBUABY-KRWDZBQOSA-N 2 0 336.524 2.304 20 30 EEEDRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)CCCO1 ZINC000288726037 464057416 /nfs/dbraw/zinc/05/74/16/464057416.db2.gz MSVHEQDVZLNXQU-GFCCVEGCSA-N 2 0 326.391 2.192 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000179538037 464153966 /nfs/dbraw/zinc/15/39/66/464153966.db2.gz GZXCRLCJJAUNRD-UHFFFAOYSA-N 2 0 336.524 2.400 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264136514 464286380 /nfs/dbraw/zinc/28/63/80/464286380.db2.gz ZVWRQTOTOMRYGB-FUHWJXTLSA-N 2 0 331.508 2.068 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)[nH]c2ccccc21 ZINC000264300841 464293076 /nfs/dbraw/zinc/29/30/76/464293076.db2.gz RTZJIISYJYWCEJ-HNNXBMFYSA-N 2 0 327.476 2.407 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264425696 464321582 /nfs/dbraw/zinc/32/15/82/464321582.db2.gz SHZFTLLBOQAVOT-IBGZPJMESA-N 2 0 342.487 2.211 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000591570811 468485225 /nfs/dbraw/zinc/48/52/25/468485225.db2.gz QYCOEZJXCQEDDR-IPMKNSEASA-N 2 0 339.487 2.432 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000350249956 466437662 /nfs/dbraw/zinc/43/76/62/466437662.db2.gz JOCLCPVVAWNPJN-IBGZPJMESA-N 2 0 331.460 2.370 20 30 EEEDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C#N)c(F)c3)ccn2)CC1 ZINC000421320104 466652391 /nfs/dbraw/zinc/65/23/91/466652391.db2.gz AAWJURFGMDMIOO-UHFFFAOYSA-N 2 0 339.418 2.134 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057462 466766142 /nfs/dbraw/zinc/76/61/42/466766142.db2.gz BIFOJVKSOSPFQU-MJGOQNOKSA-N 2 0 336.524 2.374 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000417543029 466879797 /nfs/dbraw/zinc/87/97/97/466879797.db2.gz TZCYUCTWGKTFBS-GOSISDBHSA-N 2 0 334.508 2.201 20 30 EEEDRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000596652342 469322862 /nfs/dbraw/zinc/32/28/62/469322862.db2.gz SLLFTOMNRXSRPJ-OAHLLOKOSA-N 2 0 329.444 2.012 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000669385664 471472056 /nfs/dbraw/zinc/47/20/56/471472056.db2.gz NXAPNOCYYHSPNZ-RCCFBDPRSA-N 2 0 334.508 2.078 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723883 782133018 /nfs/dbraw/zinc/13/30/18/782133018.db2.gz KNIHQWCOZORPMN-FRQCXROJSA-N 2 0 337.483 2.191 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000644669301 485499220 /nfs/dbraw/zinc/49/92/20/485499220.db2.gz VPNNRALZGZOKAK-PKOBYXMFSA-N 2 0 332.488 2.476 20 30 EEEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000113321504 527103574 /nfs/dbraw/zinc/10/35/74/527103574.db2.gz HUVJTKVDLPYYRQ-UHFFFAOYSA-N 2 0 329.488 2.206 20 30 EEEDRP C=CCc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc(OC)c1O ZINC000733328146 577222803 /nfs/dbraw/zinc/22/28/03/577222803.db2.gz INSCHZGCRICAKV-UHFFFAOYSA-N 2 0 347.503 2.247 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)CC1 ZINC000969155492 674643117 /nfs/dbraw/zinc/64/31/17/674643117.db2.gz ACKNSHPDCPVSKO-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179502 675917936 /nfs/dbraw/zinc/91/79/36/675917936.db2.gz BELFORNFNPZGNR-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214819 676157907 /nfs/dbraw/zinc/15/79/07/676157907.db2.gz QHFHIIAIVPORCU-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC000970923334 676244898 /nfs/dbraw/zinc/24/48/98/676244898.db2.gz FLCYEFURBVXLTE-MRXNPFEDSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520954 676684072 /nfs/dbraw/zinc/68/40/72/676684072.db2.gz CIQTXKKMWQYPKA-QGZVFWFLSA-N 2 0 334.508 2.248 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001023127953 679134642 /nfs/dbraw/zinc/13/46/42/679134642.db2.gz KLKROVHXZAFNHR-HDICACEKSA-N 2 0 331.504 2.005 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411681 679296172 /nfs/dbraw/zinc/29/61/72/679296172.db2.gz IGXMJDAPRNUAHH-PKOBYXMFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411672 679296220 /nfs/dbraw/zinc/29/62/20/679296220.db2.gz IGXMJDAPRNUAHH-HKUYNNGSSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769850 679579283 /nfs/dbraw/zinc/57/92/83/679579283.db2.gz IKDRWQPQTYNMAZ-INIZCTEOSA-N 2 0 331.460 2.196 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553850 681635851 /nfs/dbraw/zinc/63/58/51/681635851.db2.gz RBCFHUOYKBYVPI-BWPNAZKDSA-N 2 0 333.520 2.321 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710889 681950461 /nfs/dbraw/zinc/95/04/61/681950461.db2.gz RCLKDTXIOHZWFE-KRWDZBQOSA-N 2 0 329.488 2.419 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+]2CCF)CC1 ZINC001025302126 682407692 /nfs/dbraw/zinc/40/76/92/682407692.db2.gz RWCPOWPHBLSHMF-RBUKOAKNSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461500 682829384 /nfs/dbraw/zinc/82/93/84/682829384.db2.gz UPOGVUWGMZTKDV-WBVHZDCISA-N 2 0 338.455 2.496 20 30 EEEDRP CC[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000262022535 682878251 /nfs/dbraw/zinc/87/82/51/682878251.db2.gz ZCAJZJSCIODAQM-SFHVURJKSA-N 2 0 336.524 2.329 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]12 ZINC001026369745 684464715 /nfs/dbraw/zinc/46/47/15/684464715.db2.gz IPCXYQVTQGZLCW-BRWVUGGUSA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001026403602 684575127 /nfs/dbraw/zinc/57/51/27/684575127.db2.gz MEUNVOSPOBVOOG-CWRNSKLLSA-N 2 0 348.878 2.340 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001026429218 684633663 /nfs/dbraw/zinc/63/36/63/684633663.db2.gz UBXNQKOIBZMGPC-CGTJXYLNSA-N 2 0 343.471 2.195 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001026464634 684678215 /nfs/dbraw/zinc/67/82/15/684678215.db2.gz OGQNTGBIGWLISA-MQBCKMQZSA-N 2 0 346.500 2.231 20 30 EEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001026525843 684720080 /nfs/dbraw/zinc/72/00/80/684720080.db2.gz GFRFYOORXFEMDB-UHFFFAOYSA-N 2 0 339.443 2.474 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001026606516 684783093 /nfs/dbraw/zinc/78/30/93/684783093.db2.gz HCUFOIVJJWJZSF-UHFFFAOYSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC000985155319 685990958 /nfs/dbraw/zinc/99/09/58/685990958.db2.gz VDCQTBRXYLZUOQ-SAABIXHNSA-N 2 0 345.512 2.078 20 30 EEEDRP C[C@@H]1C[NH+]=C(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)N1 ZINC000262474419 686267034 /nfs/dbraw/zinc/26/70/34/686267034.db2.gz BSWMVWPJIKYLLB-YESZJQIVSA-N 2 0 344.503 2.133 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990686137 693219022 /nfs/dbraw/zinc/21/90/22/693219022.db2.gz NMNVXBLERVDVGU-WSTZPKSXSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001754539068 1178752368 /nfs/dbraw/zinc/75/23/68/1178752368.db2.gz QYEBHONZUBLCOR-LJQANCHMSA-N 2 0 333.520 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482468268 1185971181 /nfs/dbraw/zinc/97/11/81/1185971181.db2.gz ABVJDLNZFCTRRA-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569019 1187408287 /nfs/dbraw/zinc/40/82/87/1187408287.db2.gz DPXIVUWUWYLXIH-LMMKCTJWSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCC#N)CC1 ZINC001272869792 1193585831 /nfs/dbraw/zinc/58/58/31/1193585831.db2.gz BRDOQQDJXQCLOJ-MRXNPFEDSA-N 2 0 334.508 2.096 20 30 EEEDRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001485962141 1193660201 /nfs/dbraw/zinc/66/02/01/1193660201.db2.gz VQHYXKPRVAKXEL-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484356225 1191316413 /nfs/dbraw/zinc/31/64/13/1191316413.db2.gz UXFBWDFTLKMXAK-JKSUJKDBSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046072 1195698195 /nfs/dbraw/zinc/69/81/95/1195698195.db2.gz PNIFWMOJNHLINK-IBGZPJMESA-N 2 0 327.472 2.308 20 30 EEEDRP C=C(Br)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001438802709 1198909117 /nfs/dbraw/zinc/90/91/17/1198909117.db2.gz INEVVAOULNHNDR-CYBMUJFWSA-N 2 0 346.313 2.110 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001133876897 1199142257 /nfs/dbraw/zinc/14/22/57/1199142257.db2.gz KRNYFWRSEFKXKU-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202224 1199445762 /nfs/dbraw/zinc/44/57/62/1199445762.db2.gz DYGGRLMYFDIXAI-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001132264784 1199501663 /nfs/dbraw/zinc/50/16/63/1199501663.db2.gz BLCSFWSIOGLTSY-DOTOQJQBSA-N 2 0 349.475 2.127 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525745 1199821836 /nfs/dbraw/zinc/82/18/36/1199821836.db2.gz UZRAASFHHGXNGZ-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](CC)CC ZINC001133684484 1201189570 /nfs/dbraw/zinc/18/95/70/1201189570.db2.gz IIKDHXRIIBKRGG-KRWDZBQOSA-N 2 0 334.439 2.024 20 30 EEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893035 1206164532 /nfs/dbraw/zinc/16/45/32/1206164532.db2.gz JVVLXSGFHARTHH-XLIONFOSSA-N 2 0 349.438 2.211 20 30 EEEDRP CCCN(CC(=O)NCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190209 1207919743 /nfs/dbraw/zinc/91/97/43/1207919743.db2.gz AGOXHFARCWPNJV-UHFFFAOYSA-N 2 0 342.487 2.393 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCCc1ccccc1 ZINC000303878812 1213917410 /nfs/dbraw/zinc/91/74/10/1213917410.db2.gz JIWRBGVDZSGLGF-SFHVURJKSA-N 2 0 332.492 2.024 20 30 EEEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303885431 1213921044 /nfs/dbraw/zinc/92/10/44/1213921044.db2.gz NDRPSOCKZUKSOZ-ROUUACIJSA-N 2 0 339.572 2.379 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COc1ccccc1OC ZINC000305688146 1216975700 /nfs/dbraw/zinc/97/57/00/1216975700.db2.gz PHWVJQXCRQQIBO-JKSUJKDBSA-N 2 0 348.491 2.099 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195401 1217082015 /nfs/dbraw/zinc/08/20/15/1217082015.db2.gz BNRCOVFGHGKZLR-MSOLQXFVSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379023 1217166076 /nfs/dbraw/zinc/16/60/76/1217166076.db2.gz PPKRQVGMDIDABP-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+](CC)C3)CC2)CC1 ZINC000961436910 1217189827 /nfs/dbraw/zinc/18/98/27/1217189827.db2.gz XZVOQOQBVRPJKV-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443813 1217192128 /nfs/dbraw/zinc/19/21/28/1217192128.db2.gz WPBOMLUDUHQQSY-IBGZPJMESA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357231 1217551080 /nfs/dbraw/zinc/55/10/80/1217551080.db2.gz IXGVXPKEDFDCGG-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034474 1218211393 /nfs/dbraw/zinc/21/13/93/1218211393.db2.gz DFKVKUMJHYRFNS-UKEPKTAJSA-N 2 0 325.884 2.240 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1CC ZINC001037930876 1220428129 /nfs/dbraw/zinc/42/81/29/1220428129.db2.gz ZUUBHCRWFBYBBM-ICSRJNTNSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152999 1230372253 /nfs/dbraw/zinc/37/22/53/1230372253.db2.gz MQMKJMIEEUZUEQ-WDSOQIARSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039321672 1230526044 /nfs/dbraw/zinc/52/60/44/1230526044.db2.gz LNWSXAZQBSZXGC-HNSVSWJLSA-N 2 0 325.884 2.192 20 30 EEEDRP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039424001 1230601604 /nfs/dbraw/zinc/60/16/04/1230601604.db2.gz XDNKQIBQGAOBGL-OTWHNJEPSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348183 1231514495 /nfs/dbraw/zinc/51/44/95/1231514495.db2.gz GYKVRTJEBJQVGT-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505777 1231571693 /nfs/dbraw/zinc/57/16/93/1231571693.db2.gz MUJQBVKEYONLSC-UYAOXDASSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCC4CC4)C3)C2)CC1 ZINC001041845392 1231728926 /nfs/dbraw/zinc/72/89/26/1231728926.db2.gz XULRWQMJDYYTOV-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297614 1232012669 /nfs/dbraw/zinc/01/26/69/1232012669.db2.gz RYVIDXCAKWJKOV-IEBWSBKVSA-N 2 0 331.504 2.053 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045092661 1233497113 /nfs/dbraw/zinc/49/71/13/1233497113.db2.gz COWBWNLYPJQGQG-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045960178 1234234297 /nfs/dbraw/zinc/23/42/97/1234234297.db2.gz BTTKGPHXZBISRO-CMKODMSKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319202 1234663519 /nfs/dbraw/zinc/66/35/19/1234663519.db2.gz PZDCJLPLIBSXBR-XLIONFOSSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001046994740 1235407018 /nfs/dbraw/zinc/40/70/18/1235407018.db2.gz LSBGMRJYJNSSGW-CABCVRRESA-N 2 0 329.435 2.120 20 30 EEEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048538748 1237911778 /nfs/dbraw/zinc/91/17/78/1237911778.db2.gz AOEGIISYWYYNEF-RDGPPVDQSA-N 2 0 331.504 2.099 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185380 1240039903 /nfs/dbraw/zinc/03/99/03/1240039903.db2.gz OCCYASNAGTWWCA-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194484 1240049117 /nfs/dbraw/zinc/04/91/17/1240049117.db2.gz VTALLYONSUGCDX-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764757 1242125661 /nfs/dbraw/zinc/12/56/61/1242125661.db2.gz FGIVAEZQTDYPNQ-IPMKNSEASA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049918852 1242708775 /nfs/dbraw/zinc/70/87/75/1242708775.db2.gz MZLPFAREMMIRGV-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)C3)CC2)CC1 ZINC001052953704 1245544947 /nfs/dbraw/zinc/54/49/47/1245544947.db2.gz GJQJWXQJGXWRBH-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541839 1245944575 /nfs/dbraw/zinc/94/45/75/1245944575.db2.gz XHEAWURRJBRUKH-HKUYNNGSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001101545716 1245949009 /nfs/dbraw/zinc/94/90/09/1245949009.db2.gz MHTMXFIRMCRXCG-KRWDZBQOSA-N 2 0 339.499 2.154 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657976 1247793527 /nfs/dbraw/zinc/79/35/27/1247793527.db2.gz BWLDIJNIZPCDPK-HRCADAONSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCCC1 ZINC001099552965 1258201889 /nfs/dbraw/zinc/20/18/89/1258201889.db2.gz QJNUWGQPVHFNII-HAGHYFMRSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099582903 1258227294 /nfs/dbraw/zinc/22/72/94/1258227294.db2.gz DULNEZQIMKPZDP-KRWDZBQOSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583391 1258227711 /nfs/dbraw/zinc/22/77/11/1258227711.db2.gz QDIARDOLUMOYMT-KRWDZBQOSA-N 2 0 349.519 2.034 20 30 EEEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOCCC#N)CC2)CC1 ZINC000815060237 1278046153 /nfs/dbraw/zinc/04/61/53/1278046153.db2.gz JWEYIKIHCDCMCP-UHFFFAOYSA-N 2 0 336.524 2.045 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946355 1281720578 /nfs/dbraw/zinc/72/05/78/1281720578.db2.gz AWGVFMDDGWXNPO-OALUTQOASA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198759140 1285344077 /nfs/dbraw/zinc/34/40/77/1285344077.db2.gz CMEDXYCDPUPMFW-HKUYNNGSSA-N 2 0 345.487 2.358 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198952826 1285438238 /nfs/dbraw/zinc/43/82/38/1285438238.db2.gz ANRRCPOGUAAMOT-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001216463828 1297180269 /nfs/dbraw/zinc/18/02/69/1297180269.db2.gz JKXYSJYAEZGHGI-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202088582 1289913215 /nfs/dbraw/zinc/91/32/15/1289913215.db2.gz WEDPQOSOOBHVHR-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001216837862 1297309356 /nfs/dbraw/zinc/30/93/56/1297309356.db2.gz WCKJVIQTCXIDGO-LJJUJYJISA-N 2 0 331.504 2.124 20 30 EEEDRP CC(C)[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CCC[NH2+]C1 ZINC001218552655 1297711413 /nfs/dbraw/zinc/71/14/13/1297711413.db2.gz JDXXSOWWOYMNJU-KRWDZBQOSA-N 2 0 332.473 2.230 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)C1 ZINC001219133820 1297936361 /nfs/dbraw/zinc/93/63/61/1297936361.db2.gz XXMGIQCTJGAQMQ-IBGZPJMESA-N 2 0 347.434 2.451 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001101541480 1299685420 /nfs/dbraw/zinc/68/54/20/1299685420.db2.gz IDNKSBJZKAPVTE-LJQANCHMSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC/C=C/CC)[C@H]2C1 ZINC001222913073 1299918144 /nfs/dbraw/zinc/91/81/44/1299918144.db2.gz HMKORGRJHBQLFI-UOUNDWCUSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225143035 1300912538 /nfs/dbraw/zinc/91/25/38/1300912538.db2.gz RXTCBQUGHKPDIU-IBGZPJMESA-N 2 0 327.472 2.141 20 30 EEEDRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001229073691 1302598810 /nfs/dbraw/zinc/59/88/10/1302598810.db2.gz LAUYLINVXINDJF-LJQANCHMSA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230274906 1303136125 /nfs/dbraw/zinc/13/61/25/1303136125.db2.gz SHHIINMVHAIEMG-KURKYZTESA-N 2 0 337.508 2.080 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230840763 1303493834 /nfs/dbraw/zinc/49/38/34/1303493834.db2.gz GSBSHICIOUWTSE-GOSISDBHSA-N 2 0 332.492 2.162 20 30 EEEDRP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740840 1303830595 /nfs/dbraw/zinc/83/05/95/1303830595.db2.gz QLQAWBDUIFBUNB-BJLQDIEVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001121289603 1309969720 /nfs/dbraw/zinc/96/97/20/1309969720.db2.gz ZLRUJJJPFPSDMD-BMTWLGCMSA-N 2 0 329.488 2.044 20 30 EEEDRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1C#N)C2 ZINC001121703196 1310108843 /nfs/dbraw/zinc/10/88/43/1310108843.db2.gz PHCLZDVVWPHOBN-UHFFFAOYSA-N 2 0 340.471 2.027 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2cccc(F)c2)CCN1 ZINC001246450828 1310314719 /nfs/dbraw/zinc/31/47/19/1310314719.db2.gz LZVYHXDJJUTIDN-GBESFXJTSA-N 2 0 330.451 2.490 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731849 1316356381 /nfs/dbraw/zinc/35/63/81/1316356381.db2.gz SFZRTLVJWMQVLO-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)CCC[NH+](C)C)CC1 ZINC001151275635 1316493811 /nfs/dbraw/zinc/49/38/11/1316493811.db2.gz UEZRACJUKOMPFH-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446086 1316829547 /nfs/dbraw/zinc/82/95/47/1316829547.db2.gz OMJYPIFHRNSHAJ-GPMSIDNRSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930549 1316918418 /nfs/dbraw/zinc/91/84/18/1316918418.db2.gz PHPMJCNWHJBJOL-APWZRJJASA-N 2 0 344.503 2.471 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155254834 1317524361 /nfs/dbraw/zinc/52/43/61/1317524361.db2.gz GFQMTMLQTKJXTE-GOSISDBHSA-N 2 0 329.488 2.011 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108745 1318413747 /nfs/dbraw/zinc/41/37/47/1318413747.db2.gz CHLQAGQMJWRYTF-GOSISDBHSA-N 2 0 329.488 2.205 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCF)CC1 ZINC001158914411 1319505093 /nfs/dbraw/zinc/50/50/93/1319505093.db2.gz PLRCZHRCWVGEML-GOSISDBHSA-N 2 0 337.483 2.004 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC001159914515 1320019646 /nfs/dbraw/zinc/01/96/46/1320019646.db2.gz DCLGNTYOMYGJRT-GOSISDBHSA-N 2 0 347.890 2.128 20 30 EEEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986385 1320344140 /nfs/dbraw/zinc/34/41/40/1320344140.db2.gz RVFPDAHNDVPYHC-IBGZPJMESA-N 2 0 331.504 2.270 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cnc1C ZINC001162992858 1321007841 /nfs/dbraw/zinc/00/78/41/1321007841.db2.gz ZKHWFFWAPKOOTH-UHFFFAOYSA-N 2 0 340.471 2.498 20 30 EEEDRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001165246932 1321482630 /nfs/dbraw/zinc/48/26/30/1321482630.db2.gz WMCQLMGIRODGTR-UHFFFAOYSA-N 2 0 340.427 2.123 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCc3nc[nH]c32)s1 ZINC001166408514 1321714192 /nfs/dbraw/zinc/71/41/92/1321714192.db2.gz VVSHWNQQAFCUAS-AWEZNQCLSA-N 2 0 343.456 2.059 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C12CCC2 ZINC001203359952 1321869206 /nfs/dbraw/zinc/86/92/06/1321869206.db2.gz VPCZNMPHXYKCMF-QZTJIDSGSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557776 1321911936 /nfs/dbraw/zinc/91/19/36/1321911936.db2.gz PKCVARZSWREKTA-QZTJIDSGSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001206949141 1323735290 /nfs/dbraw/zinc/73/52/90/1323735290.db2.gz RTSWNDCFFVRCBR-KRWDZBQOSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@H](C)CC)CC2)CC1 ZINC001206949142 1323735598 /nfs/dbraw/zinc/73/55/98/1323735598.db2.gz RTSWNDCFFVRCBR-QGZVFWFLSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951242 1323737606 /nfs/dbraw/zinc/73/76/06/1323737606.db2.gz GPVACCORYRQABT-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cncn4C)C3=O)C2)cc1 ZINC001276558995 1324336445 /nfs/dbraw/zinc/33/64/45/1324336445.db2.gz ZJINKTCSNAPWPM-OAQYLSRUSA-N 2 0 348.450 2.026 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334123 1324432822 /nfs/dbraw/zinc/43/28/22/1324432822.db2.gz FVQBXIGOWRYUCG-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](CCCc3ccc(C#N)cc3)CC2)CC1 ZINC001208859404 1324694307 /nfs/dbraw/zinc/69/43/07/1324694307.db2.gz ZQGBGFHEUKLBNU-UHFFFAOYSA-N 2 0 326.488 2.203 20 30 EEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001332078640 1335721516 /nfs/dbraw/zinc/72/15/16/1335721516.db2.gz ZSNGQLJRLQIOLJ-IAGOWNOFSA-N 2 0 348.878 2.379 20 30 EEEDRP C=CCn1c(CN2CCCCC2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001338795631 1336909203 /nfs/dbraw/zinc/90/92/03/1336909203.db2.gz OTQQCJRRLJWHFU-UHFFFAOYSA-N 2 0 346.523 2.372 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200722386 1338550407 /nfs/dbraw/zinc/55/04/07/1338550407.db2.gz WJKQWAZPKSMFRM-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001647343567 1353238117 /nfs/dbraw/zinc/23/81/17/1353238117.db2.gz OSPDVBGZSVGDGM-FDYSRKEFSA-N 2 0 325.456 2.359 20 30 EEEDRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188106234 1368283224 /nfs/dbraw/zinc/28/32/24/1368283224.db2.gz DWFWWLSKARQAJY-HXUWFJFHSA-N 2 0 339.483 2.105 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCCO1 ZINC001200866645 1368763728 /nfs/dbraw/zinc/76/37/28/1368763728.db2.gz WKIBXSLGCQAWCB-KRWDZBQOSA-N 2 0 342.443 2.040 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001202217420 1368898035 /nfs/dbraw/zinc/89/80/35/1368898035.db2.gz OBLHPZZUPXNLQO-UHFFFAOYSA-N 2 0 345.462 2.100 20 30 EEEDRP C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702069 1370559697 /nfs/dbraw/zinc/55/96/97/1370559697.db2.gz SQDDKSLRTCMVNF-SJLPKXTDSA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202464 1371156523 /nfs/dbraw/zinc/15/65/23/1371156523.db2.gz BIMULDKCAGMRAB-KBRIMQKVSA-N 2 0 339.911 2.155 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001368117734 1374336777 /nfs/dbraw/zinc/33/67/77/1374336777.db2.gz ASZGYQYGUQLJEJ-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001375266327 1377561048 /nfs/dbraw/zinc/56/10/48/1377561048.db2.gz DEHJLRVYGMUDMB-OALUTQOASA-N 2 0 342.487 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001376555694 1378593219 /nfs/dbraw/zinc/59/32/19/1378593219.db2.gz HZSWXRAIGUTYPO-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323553 1379865426 /nfs/dbraw/zinc/86/54/26/1379865426.db2.gz YQVMYXTTXGKDQN-QZTJIDSGSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670367 1381330880 /nfs/dbraw/zinc/33/08/80/1381330880.db2.gz NNYPNFWITQNRSE-GJZGRUSLSA-N 2 0 348.516 2.288 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CCC1 ZINC001398234088 1391957818 /nfs/dbraw/zinc/95/78/18/1391957818.db2.gz OGWIPFJMPKTBTL-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001398734841 1394170481 /nfs/dbraw/zinc/17/04/81/1394170481.db2.gz YCPPDBQWIZWCKR-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001399118415 1394717777 /nfs/dbraw/zinc/71/77/77/1394717777.db2.gz XSQQRKMOEAWOEE-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001753749324 1406772542 /nfs/dbraw/zinc/77/25/42/1406772542.db2.gz IAUAHMBCAFKDQB-MOPGFXCFSA-N 2 0 333.520 2.395 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001754456585 1406912239 /nfs/dbraw/zinc/91/22/39/1406912239.db2.gz PQHFQOXZDIOKLP-GOSISDBHSA-N 2 0 339.443 2.332 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001403172714 1398452545 /nfs/dbraw/zinc/45/25/45/1398452545.db2.gz WUNASJAFNDIQCH-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001755062920 1407071760 /nfs/dbraw/zinc/07/17/60/1407071760.db2.gz HNLZPUCAXCPWEF-IRXDYDNUSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138427 1407148620 /nfs/dbraw/zinc/14/86/20/1407148620.db2.gz MODXYIJOVZCVHF-HZPDHXFCSA-N 2 0 327.488 2.459 20 30 EEEDRP COc1cc(C#N)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579139007 1403777785 /nfs/dbraw/zinc/77/77/85/1403777785.db2.gz GTTUVTLKHLCHNK-HKUYNNGSSA-N 2 0 329.444 2.285 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001755463234 1407497555 /nfs/dbraw/zinc/49/75/55/1407497555.db2.gz JENHGONKVWJISY-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001755473639 1407508583 /nfs/dbraw/zinc/50/85/83/1407508583.db2.gz VSEGLNHFZALALN-UFYCRDLUSA-N 2 0 341.499 2.109 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755749433 1407807839 /nfs/dbraw/zinc/80/78/39/1407807839.db2.gz JDEVLRCPDAGGSU-APWZRJJASA-N 2 0 327.472 2.260 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001122063727 1410258774 /nfs/dbraw/zinc/25/87/74/1410258774.db2.gz LIFLMIQVZLGYCI-UHFFFAOYSA-N 2 0 328.460 2.354 20 30 EEEDRP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081431 1410519557 /nfs/dbraw/zinc/51/95/57/1410519557.db2.gz SIGUJGJNNMWPRG-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001167486580 759878259 /nfs/dbraw/zinc/87/82/59/759878259.db2.gz KIPHWGUAYOQVPP-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001167640368 760803649 /nfs/dbraw/zinc/80/36/49/760803649.db2.gz NREYNYSEIVKKGC-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087305955 761553021 /nfs/dbraw/zinc/55/30/21/761553021.db2.gz AZDWOFABIGMJRW-YZGWKJHDSA-N 2 0 345.531 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306400 761554408 /nfs/dbraw/zinc/55/44/08/761554408.db2.gz IMWLSVGQZWLPHR-HOJAQTOUSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089495644 769882723 /nfs/dbraw/zinc/88/27/23/769882723.db2.gz YBJPVVOIRRYTKI-ARFHVFGLSA-N 2 0 330.476 2.316 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088052991 782824827 /nfs/dbraw/zinc/82/48/27/782824827.db2.gz PQSWNKSIHHPYCI-CEXWTWQISA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053133 782825736 /nfs/dbraw/zinc/82/57/36/782825736.db2.gz VSIIDLQQNDUOAI-QYZOEREBSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718886 783049903 /nfs/dbraw/zinc/04/99/03/783049903.db2.gz DKAGGCNSWCFAOD-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)[C@H](C)C2)CC1 ZINC000948070200 773418584 /nfs/dbraw/zinc/41/85/84/773418584.db2.gz NQKIOKGJTHSBNE-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181499953 776848740 /nfs/dbraw/zinc/84/87/40/776848740.db2.gz JIZMYGTVIMBKJU-SJORKVTESA-N 2 0 330.476 2.266 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001089825272 777110979 /nfs/dbraw/zinc/11/09/79/777110979.db2.gz ASVLHIKBVPURQZ-VERUCKTNSA-N 2 0 348.450 2.369 20 30 EEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2cc(CN(C)C)on2)CC1 ZINC000997653878 790551020 /nfs/dbraw/zinc/55/10/20/790551020.db2.gz SYZUAPIKPZJVIO-AWEZNQCLSA-N 2 0 334.464 2.143 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275388 779476061 /nfs/dbraw/zinc/47/60/61/779476061.db2.gz DWELTQXEEYBQQY-YSIASYRMSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296252 779606176 /nfs/dbraw/zinc/60/61/76/779606176.db2.gz NITAVVRYCNDGNB-SESVDKBCSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982344135 779814544 /nfs/dbraw/zinc/81/45/44/779814544.db2.gz SJZJFSYGSJKHDT-KDURUIRLSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001028334220 780787769 /nfs/dbraw/zinc/78/77/69/780787769.db2.gz YAABZNQZNFREGK-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087523022 781663852 /nfs/dbraw/zinc/66/38/52/781663852.db2.gz GQAORTXJKTZQKX-OTWHNJEPSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101083 781723792 /nfs/dbraw/zinc/72/37/92/781723792.db2.gz QIHCBDREBJYNTF-ZBFHGGJFSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105394496 781794258 /nfs/dbraw/zinc/79/42/58/781794258.db2.gz YRUUELCCAMULRX-SFHVURJKSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001088317899 783490080 /nfs/dbraw/zinc/49/00/80/783490080.db2.gz QWWXKQTZTCBCRG-INIZCTEOSA-N 2 0 330.476 2.309 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001135391164 783687983 /nfs/dbraw/zinc/68/79/83/783687983.db2.gz QRKHKYYJGMHIIE-ZWKOTPCHSA-N 2 0 341.499 2.253 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089893938 783772802 /nfs/dbraw/zinc/77/28/02/783772802.db2.gz QCYQNAOITAAUEY-MANSERQUSA-N 2 0 343.515 2.217 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035211382 784128594 /nfs/dbraw/zinc/12/85/94/784128594.db2.gz WRUUYILULQIUOC-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976505 784926127 /nfs/dbraw/zinc/92/61/27/784926127.db2.gz KNECUBRHYWWAJS-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977781 784929041 /nfs/dbraw/zinc/92/90/41/784929041.db2.gz ZAQXDYSIGKMOGQ-MSOLQXFVSA-N 2 0 329.488 2.253 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035719505 785013632 /nfs/dbraw/zinc/01/36/32/785013632.db2.gz AVLNTMQHPUCCNL-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995802912 785691577 /nfs/dbraw/zinc/69/15/77/785691577.db2.gz PNEYACHHADDRNB-LSDHHAIUSA-N 2 0 327.900 2.438 20 30 EEEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000170913508 791141420 /nfs/dbraw/zinc/14/14/20/791141420.db2.gz RKWLZAKKJLXSNE-HOTGVXAUSA-N 2 0 332.492 2.468 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001170986800 787182359 /nfs/dbraw/zinc/18/23/59/787182359.db2.gz BIFZQXFFZLTYJM-OAHLLOKOSA-N 2 0 327.432 2.332 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090875163 788746377 /nfs/dbraw/zinc/74/63/77/788746377.db2.gz JGBFUPGARNHHPU-IPMKNSEASA-N 2 0 345.487 2.105 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090880772 788796515 /nfs/dbraw/zinc/79/65/15/788796515.db2.gz JGBFUPGARNHHPU-OTWHNJEPSA-N 2 0 345.487 2.105 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000923348365 789411254 /nfs/dbraw/zinc/41/12/54/789411254.db2.gz FDSYRCWLFUQICX-ROUUACIJSA-N 2 0 348.487 2.224 20 30 EEEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000157051573 789457563 /nfs/dbraw/zinc/45/75/63/789457563.db2.gz RLWJZCXKODNMDT-ACJLOTCBSA-N 2 0 335.496 2.467 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946901874 789566074 /nfs/dbraw/zinc/56/60/74/789566074.db2.gz GXVWQYCKVVEMKZ-QGFMHUBQSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001091135120 789859791 /nfs/dbraw/zinc/85/97/91/789859791.db2.gz HLMOTEMTIRNNTH-UHFFFAOYSA-N 2 0 345.834 2.118 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998118915 791998208 /nfs/dbraw/zinc/99/82/08/791998208.db2.gz YIAIPPQSJBQNCU-CVEARBPZSA-N 2 0 328.460 2.166 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713438 792365430 /nfs/dbraw/zinc/36/54/30/792365430.db2.gz YBFLBVPPEFRZCI-APWZRJJASA-N 2 0 345.512 2.227 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092016094 793508757 /nfs/dbraw/zinc/50/87/57/793508757.db2.gz BXAIOVYWZQJKTC-CTNGQTDRSA-N 2 0 341.499 2.371 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939407 793762383 /nfs/dbraw/zinc/76/23/83/793762383.db2.gz PCUGHSVBBJKMQU-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC000999348378 794340831 /nfs/dbraw/zinc/34/08/31/794340831.db2.gz OCPYXDRSLQOIBE-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000999434537 794457654 /nfs/dbraw/zinc/45/76/54/794457654.db2.gz OCTKGXCMRKQQOE-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380328 795119438 /nfs/dbraw/zinc/11/94/38/795119438.db2.gz XTLVCPRAPIIJSW-OALUTQOASA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383808 795126351 /nfs/dbraw/zinc/12/63/51/795126351.db2.gz PDVJMABQSBIPPY-RBUKOAKNSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724871 795254389 /nfs/dbraw/zinc/25/43/89/795254389.db2.gz FKTWJWZMQIIJHA-OALUTQOASA-N 2 0 331.504 2.360 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107998747 795346134 /nfs/dbraw/zinc/34/61/34/795346134.db2.gz QREOAANDCREGSF-ICSRJNTNSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)CC1 ZINC001094581601 796421476 /nfs/dbraw/zinc/42/14/76/796421476.db2.gz DBRNRZWFKHOKRH-TZIWHRDSSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1ccccc1 ZINC001081141086 796664121 /nfs/dbraw/zinc/66/41/21/796664121.db2.gz IFGJRZMWZZCZCM-VQTJNVASSA-N 2 0 344.418 2.165 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC2(CCOCC2)C1 ZINC001089969651 796690949 /nfs/dbraw/zinc/69/09/49/796690949.db2.gz MBMMGFLKHGJULA-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171771287 796727761 /nfs/dbraw/zinc/72/77/61/796727761.db2.gz ADWXVPATRPWJEH-INIZCTEOSA-N 2 0 339.443 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819207 797023670 /nfs/dbraw/zinc/02/36/70/797023670.db2.gz JZJPZEKJFABBDB-ROUUACIJSA-N 2 0 331.504 2.005 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820006 797025123 /nfs/dbraw/zinc/02/51/23/797025123.db2.gz TZXIUDURYBXSLR-OALUTQOASA-N 2 0 343.515 2.149 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001175218764 798036327 /nfs/dbraw/zinc/03/63/27/798036327.db2.gz WEJOFJKKHKCZTN-ROUUACIJSA-N 2 0 339.524 2.021 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931302 798634886 /nfs/dbraw/zinc/63/48/86/798634886.db2.gz ZRJHKEFLRRJRLL-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@H](OC)C1 ZINC001212465655 798643763 /nfs/dbraw/zinc/64/37/63/798643763.db2.gz QKRNUORBZUGKBG-FGTMMUONSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001177320016 798858619 /nfs/dbraw/zinc/85/86/19/798858619.db2.gz YFCSNMHAEAFFTG-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC001178045728 799229572 /nfs/dbraw/zinc/22/95/72/799229572.db2.gz STDMJXLHVXGVJU-QGZVFWFLSA-N 2 0 348.516 2.480 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001179435052 799920241 /nfs/dbraw/zinc/92/02/41/799920241.db2.gz HMEXFLRLJKWRES-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179719698 800068529 /nfs/dbraw/zinc/06/85/29/800068529.db2.gz OPXCUXRYTYZQLQ-LPHOPBHVSA-N 2 0 345.487 2.143 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179983216 800198931 /nfs/dbraw/zinc/19/89/31/800198931.db2.gz PHKGVYKMFULASP-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085257898 800294415 /nfs/dbraw/zinc/29/44/15/800294415.db2.gz FXZHELOZGGUSCC-HUUCEWRRSA-N 2 0 325.884 2.384 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001180279134 800355096 /nfs/dbraw/zinc/35/50/96/800355096.db2.gz YBLXHUJLYMONGG-GOSISDBHSA-N 2 0 339.524 2.187 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC2CC2)CC1 ZINC001180360565 800377345 /nfs/dbraw/zinc/37/73/45/800377345.db2.gz IWTGFSNPFHYUFI-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC[C@H](C)F)CC1 ZINC001180360835 800377844 /nfs/dbraw/zinc/37/78/44/800377844.db2.gz NFTOLNFMYXZOHM-KRWDZBQOSA-N 2 0 339.499 2.346 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001151242275 801220125 /nfs/dbraw/zinc/22/01/25/801220125.db2.gz MZKOGJARSVNVHP-GOSISDBHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592474 801663984 /nfs/dbraw/zinc/66/39/84/801663984.db2.gz PGDDXCZDCOQJMV-HDICACEKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1 ZINC001004456831 802116558 /nfs/dbraw/zinc/11/65/58/802116558.db2.gz ILLFKXMSCGYUDX-MOPGFXCFSA-N 2 0 346.519 2.476 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119355 802215834 /nfs/dbraw/zinc/21/58/34/802215834.db2.gz KPGCEONHOMRXFX-QKPAOTATSA-N 2 0 325.884 2.240 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004619350 802496521 /nfs/dbraw/zinc/49/65/21/802496521.db2.gz BSWHXPOFRAQPQF-IAGOWNOFSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604764 813007871 /nfs/dbraw/zinc/00/78/71/813007871.db2.gz GCZBJQKIFBQHCH-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001438368777 1090844952 /nfs/dbraw/zinc/84/49/52/1090844952.db2.gz CEMGQZSERHRKOX-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001438613652 1091103388 /nfs/dbraw/zinc/10/33/88/1091103388.db2.gz RHNSEQFZHWNDJK-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001439779634 1092735203 /nfs/dbraw/zinc/73/52/03/1092735203.db2.gz YRTCQYKFSUYQOI-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001441645030 1095573561 /nfs/dbraw/zinc/57/35/61/1095573561.db2.gz AWVPNMUUSLRCDV-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480379965 1100170234 /nfs/dbraw/zinc/17/02/34/1100170234.db2.gz NYSATULWVPSJHE-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001496451426 1101043640 /nfs/dbraw/zinc/04/36/40/1101043640.db2.gz WZQJOLRRKZFJPU-GDBMZVCRSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001496479450 1101071312 /nfs/dbraw/zinc/07/13/12/1101071312.db2.gz BOQWALLXQJGRGW-XJKSGUPXSA-N 2 0 327.900 2.440 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953640 1101650652 /nfs/dbraw/zinc/65/06/52/1101650652.db2.gz SVODNXMEYHETEP-CABCVRRESA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001507037854 1115073978 /nfs/dbraw/zinc/07/39/78/1115073978.db2.gz ZMXDFAKVLYDYFS-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507287142 1115174847 /nfs/dbraw/zinc/17/48/47/1115174847.db2.gz DPZCHIFNLRZRFU-AEFFLSMTSA-N 2 0 349.906 2.492 20 30 EEEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000447526691 283065497 /nfs/dbraw/zinc/06/54/97/283065497.db2.gz CDFFJUBPCWRFGM-ROUUACIJSA-N 2 0 342.491 2.051 20 30 EEEDRP C=CCc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000268456919 201227829 /nfs/dbraw/zinc/22/78/29/201227829.db2.gz XXLZIILLFZUGQZ-UHFFFAOYSA-N 2 0 348.487 2.454 20 30 EEEDRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1 ZINC000424155581 240852096 /nfs/dbraw/zinc/85/20/96/240852096.db2.gz MXJWYWRTUOAQMZ-ZWKOTPCHSA-N 2 0 328.460 2.269 20 30 EEEDRP CC[NH+](CC)CCOCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353690152 162654605 /nfs/dbraw/zinc/65/46/05/162654605.db2.gz RLHUGFJQYHGIBV-UHFFFAOYSA-N 2 0 344.503 2.475 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000574825471 320060986 /nfs/dbraw/zinc/06/09/86/320060986.db2.gz CGQKLSOQRRJJQK-BQFCYCMXSA-N 2 0 344.507 2.287 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000574825474 320061200 /nfs/dbraw/zinc/06/12/00/320061200.db2.gz CGQKLSOQRRJJQK-SOLBZPMBSA-N 2 0 344.507 2.287 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000067266975 462983906 /nfs/dbraw/zinc/98/39/06/462983906.db2.gz ADNBHHYTLLBMPF-IBGZPJMESA-N 2 0 327.472 2.059 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262010723 463924459 /nfs/dbraw/zinc/92/44/59/463924459.db2.gz MFADUOAFUMECQP-QGZVFWFLSA-N 2 0 331.460 2.071 20 30 EEEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C[C@@H](C)O1 ZINC000262006633 463924961 /nfs/dbraw/zinc/92/49/61/463924961.db2.gz RTUDGRBTEGHHLM-HZPDHXFCSA-N 2 0 332.492 2.275 20 30 EEEDRP C[NH+]1CCC(Oc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1 ZINC000284070834 464081636 /nfs/dbraw/zinc/08/16/36/464081636.db2.gz QNCJISLTNMDTNT-UHFFFAOYSA-N 2 0 339.443 2.481 20 30 EEEDRP Cc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000291651523 464157737 /nfs/dbraw/zinc/15/77/37/464157737.db2.gz NTPYBNMYVAJXCD-UHFFFAOYSA-N 2 0 336.443 2.281 20 30 EEEDRP C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C[C@H](C)O1 ZINC000264059036 464277577 /nfs/dbraw/zinc/27/75/77/464277577.db2.gz CDLLDRFNOHESBF-GJZGRUSLSA-N 2 0 332.492 2.499 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000264069230 464279672 /nfs/dbraw/zinc/27/96/72/464279672.db2.gz CSEIPBSNCCCNAH-KRWDZBQOSA-N 2 0 332.492 2.262 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000264079260 464281353 /nfs/dbraw/zinc/28/13/53/464281353.db2.gz ICUZPZJDXXEOSX-DLBZAZTESA-N 2 0 347.507 2.195 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000264122876 464285553 /nfs/dbraw/zinc/28/55/53/464285553.db2.gz VMHXGHRTPPPLPE-HNNXBMFYSA-N 2 0 331.508 2.174 20 30 EEEDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181491294 464496064 /nfs/dbraw/zinc/49/60/64/464496064.db2.gz YWCHDTKEXBINFE-QGZVFWFLSA-N 2 0 330.476 2.267 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2cccc(Cl)c2n1C ZINC000274792635 464755432 /nfs/dbraw/zinc/75/54/32/464755432.db2.gz QIYVTYMTTOOWFM-LBPRGKRZSA-N 2 0 348.882 2.115 20 30 EEEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570875 468484891 /nfs/dbraw/zinc/48/48/91/468484891.db2.gz YMFARKQWEKWYKF-OXJNMPFZSA-N 2 0 349.482 2.470 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cn2)CC1 ZINC000333496538 466621754 /nfs/dbraw/zinc/62/17/54/466621754.db2.gz CALXKDVCEWFWAE-UHFFFAOYSA-N 2 0 327.476 2.395 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000368531339 466661436 /nfs/dbraw/zinc/66/14/36/466661436.db2.gz UTIPAKFZDDHHNX-FGTMMUONSA-N 2 0 335.492 2.270 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000368531342 466661574 /nfs/dbraw/zinc/66/15/74/466661574.db2.gz UTIPAKFZDDHHNX-SQNIBIBYSA-N 2 0 335.492 2.270 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712034 468239442 /nfs/dbraw/zinc/23/94/42/468239442.db2.gz CRRFFGBLIPOJST-PXNSSMCTSA-N 2 0 341.499 2.448 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000490800520 468252891 /nfs/dbraw/zinc/25/28/91/468252891.db2.gz SPYRIUPTMJLYJK-RTBURBONSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000556750866 468564212 /nfs/dbraw/zinc/56/42/12/468564212.db2.gz UJYCATIKXYWAOR-LJQANCHMSA-N 2 0 339.439 2.149 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108678 468800800 /nfs/dbraw/zinc/80/08/00/468800800.db2.gz NUHRSHAGRRJDFX-KBAYOESNSA-N 2 0 348.487 2.236 20 30 EEEDRP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000564859667 469261646 /nfs/dbraw/zinc/26/16/46/469261646.db2.gz YOWQHRODPHQBPV-IBGZPJMESA-N 2 0 343.471 2.099 20 30 EEEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000602549206 469357595 /nfs/dbraw/zinc/35/75/95/469357595.db2.gz SWTIIWLNVWAVFX-LPHOPBHVSA-N 2 0 342.487 2.413 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000649297080 470535091 /nfs/dbraw/zinc/53/50/91/470535091.db2.gz FTTNTTCRJGOKPQ-LSDHHAIUSA-N 2 0 329.435 2.046 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227331 782173676 /nfs/dbraw/zinc/17/36/76/782173676.db2.gz GCFUHRQAUBREAE-PKOBYXMFSA-N 2 0 331.504 2.006 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182109 675942255 /nfs/dbraw/zinc/94/22/55/675942255.db2.gz IYDVBEAQPZMEEX-HXUWFJFHSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140241 675645163 /nfs/dbraw/zinc/64/51/63/675645163.db2.gz RDRLYVAGTNVMLC-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000970920885 676242581 /nfs/dbraw/zinc/24/25/81/676242581.db2.gz MTPDBDQMYZBLGZ-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000174049703 679661062 /nfs/dbraw/zinc/66/10/62/679661062.db2.gz ASIUBBPNADWELX-RDJZCZTQSA-N 2 0 326.488 2.366 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CC[C@@]2(CCOC2)C1 ZINC000261656917 676371264 /nfs/dbraw/zinc/37/12/64/676371264.db2.gz AGNIUYCPUNJYMH-JENIJYKNSA-N 2 0 336.524 2.327 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C(C)C)CC[C@@H]32)CC1 ZINC001021738954 676397043 /nfs/dbraw/zinc/39/70/43/676397043.db2.gz FWDPQBMAISNUIE-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC4CC4)CC[C@H]32)CC1 ZINC001021738892 676397069 /nfs/dbraw/zinc/39/70/69/676397069.db2.gz DLKXWODBCHJCEX-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022070534 676634743 /nfs/dbraw/zinc/63/47/43/676634743.db2.gz WEFFKPWKXFHYDS-OTWHNJEPSA-N 2 0 340.471 2.168 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1 ZINC001022879991 678702646 /nfs/dbraw/zinc/70/26/46/678702646.db2.gz ATTVANBSOUXHAW-KDURUIRLSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001024162179 679828850 /nfs/dbraw/zinc/82/88/50/679828850.db2.gz SFJIIHGFCUJWNP-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479953 679962902 /nfs/dbraw/zinc/96/29/02/679962902.db2.gz VEMFNFZIBULIIH-MOPGFXCFSA-N 2 0 331.504 2.387 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984801127 685276195 /nfs/dbraw/zinc/27/61/95/685276195.db2.gz ZJTOSYBPWCNTDW-ATZDWAIDSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517068 680022407 /nfs/dbraw/zinc/02/24/07/680022407.db2.gz QMBONULZAQPFCS-SJORKVTESA-N 2 0 330.476 2.382 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001028604179 681362258 /nfs/dbraw/zinc/36/22/58/681362258.db2.gz RFHOEZHVSKUZPJ-AEFFLSMTSA-N 2 0 345.512 2.092 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@]2(C)C1 ZINC000982555847 681641507 /nfs/dbraw/zinc/64/15/07/681641507.db2.gz FFKLMROHKSVGLM-ZCNNSNEGSA-N 2 0 349.494 2.003 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001024998602 681693236 /nfs/dbraw/zinc/69/32/36/681693236.db2.gz GQVZCKDFTMBIKL-RHSMWYFYSA-N 2 0 348.516 2.431 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246949 682316041 /nfs/dbraw/zinc/31/60/41/682316041.db2.gz HWQJXJUCLDEULF-RBUKOAKNSA-N 2 0 343.515 2.484 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247255 682316215 /nfs/dbraw/zinc/31/62/15/682316215.db2.gz JYHNPFQLHQTGOK-ROUUACIJSA-N 2 0 329.488 2.094 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261232 682353906 /nfs/dbraw/zinc/35/39/06/682353906.db2.gz UHVANWJNNFAXCH-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+]2CC)CC1 ZINC001025300349 682413379 /nfs/dbraw/zinc/41/33/79/682413379.db2.gz CJAYOMYFCPQVRH-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001026605457 684782154 /nfs/dbraw/zinc/78/21/54/684782154.db2.gz PTJCBGQGVWLOFS-LMDPOFIKSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686920 685224614 /nfs/dbraw/zinc/22/46/14/685224614.db2.gz ZEZUYTOPEWTZTF-ZWKOTPCHSA-N 2 0 331.504 2.243 20 30 EEEDRP CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262403014 685785884 /nfs/dbraw/zinc/78/58/84/685785884.db2.gz OAKBHXJSVYENNO-KSZLIROESA-N 2 0 346.519 2.246 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000985646314 687376854 /nfs/dbraw/zinc/37/68/54/687376854.db2.gz JYLBKXHTTRYORY-UHFFFAOYSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233295 691648665 /nfs/dbraw/zinc/64/86/65/691648665.db2.gz YGHVNFKAKXPQJY-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144964 693331344 /nfs/dbraw/zinc/33/13/44/693331344.db2.gz NPQVWXGMPCQQRG-DSLXNQLJSA-N 2 0 331.504 2.121 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C2)CC1 ZINC001107034286 1192859948 /nfs/dbraw/zinc/85/99/48/1192859948.db2.gz UCJHWVZMCWNXBP-UYAOXDASSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCF)CC1 ZINC001754642860 1179129443 /nfs/dbraw/zinc/12/94/43/1179129443.db2.gz BMPMNKRCGVIBLO-QGZVFWFLSA-N 2 0 337.483 2.004 20 30 EEEDRP C=CCSCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001271201750 1186078154 /nfs/dbraw/zinc/07/81/54/1186078154.db2.gz XTZOTQMSUAWCHI-MSOLQXFVSA-N 2 0 348.516 2.354 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374728 1186698734 /nfs/dbraw/zinc/69/87/34/1186698734.db2.gz ONODWJNSKGBELZ-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088382133 1186753412 /nfs/dbraw/zinc/75/34/12/1186753412.db2.gz VDJQIBWZNAAHJZ-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413101 1186824436 /nfs/dbraw/zinc/82/44/36/1186824436.db2.gz YEYYRURGSDCBJU-PZJWPPBQSA-N 2 0 341.499 2.457 20 30 EEEDRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(C[C@H]2C(=O)NCCCC#N)CC1 ZINC001272869791 1193585705 /nfs/dbraw/zinc/58/57/05/1193585705.db2.gz BRDOQQDJXQCLOJ-INIZCTEOSA-N 2 0 334.508 2.096 20 30 EEEDRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001272646577 1190955582 /nfs/dbraw/zinc/95/55/82/1190955582.db2.gz ROWRZIGDLYYKDI-FQEVSTJZSA-N 2 0 340.471 2.077 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983340 1191601526 /nfs/dbraw/zinc/60/15/26/1191601526.db2.gz WCCCPWDCDAHTBO-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005397855 1195391437 /nfs/dbraw/zinc/39/14/37/1195391437.db2.gz SZFXABRLOQXNPP-QGZVFWFLSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034018481 1195640833 /nfs/dbraw/zinc/64/08/33/1195640833.db2.gz YZKAIECALJPAGL-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001034957125 1196917740 /nfs/dbraw/zinc/91/77/40/1196917740.db2.gz KIAQXTIZHFEWGR-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001132737472 1199965734 /nfs/dbraw/zinc/96/57/34/1199965734.db2.gz NGDNHMPZCJTTCB-MRXNPFEDSA-N 2 0 346.450 2.025 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250518 1200642815 /nfs/dbraw/zinc/64/28/15/1200642815.db2.gz XSYCALVRCMGJIR-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001133337251 1200761295 /nfs/dbraw/zinc/76/12/95/1200761295.db2.gz KYMBOTBDTUDHEB-ICSRJNTNSA-N 2 0 345.531 2.372 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133403864 1200865452 /nfs/dbraw/zinc/86/54/52/1200865452.db2.gz NLAMOOATLMGMPR-UHFFFAOYSA-N 2 0 335.879 2.233 20 30 EEEDRP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710374 1209316556 /nfs/dbraw/zinc/31/65/56/1209316556.db2.gz APNZYKIKCKVGSJ-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC000949188852 1209569101 /nfs/dbraw/zinc/56/91/01/1209569101.db2.gz BPSABNWGLCFSLG-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[NH+]2CCCC2)s1 ZINC001037126589 1213945365 /nfs/dbraw/zinc/94/53/65/1213945365.db2.gz QXEUIMLLDIEYHN-WMLDXEAASA-N 2 0 346.500 2.090 20 30 EEEDRP CC(C)NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000304749734 1216102514 /nfs/dbraw/zinc/10/25/14/1216102514.db2.gz WRFLRZMVZHQVHI-UHFFFAOYSA-N 2 0 332.492 2.370 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960880545 1216958283 /nfs/dbraw/zinc/95/82/83/1216958283.db2.gz KNUJSABPEAPJFQ-MOPGFXCFSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226616 1217097609 /nfs/dbraw/zinc/09/76/09/1217097609.db2.gz BXTLPGCCWGFIDT-OALUTQOASA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961405146 1217177521 /nfs/dbraw/zinc/17/75/21/1217177521.db2.gz JALGXNLWSIJLAO-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327953 1217522560 /nfs/dbraw/zinc/52/25/60/1217522560.db2.gz JJJDNCJMVGSCKQ-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328370 1217524078 /nfs/dbraw/zinc/52/40/78/1217524078.db2.gz OFLMBJSYNKITAT-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963357819 1217552576 /nfs/dbraw/zinc/55/25/76/1217552576.db2.gz AGKNTCVXSBPHFO-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384109 1217580773 /nfs/dbraw/zinc/58/07/73/1217580773.db2.gz QIBBAAJMLJJAML-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC000963428012 1217622144 /nfs/dbraw/zinc/62/21/44/1217622144.db2.gz JHLAQQCEYXPOSB-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1CC ZINC001037885182 1219970009 /nfs/dbraw/zinc/97/00/09/1219970009.db2.gz ZBKNQOGQEYMJOS-DOTOQJQBSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681239 1221486967 /nfs/dbraw/zinc/48/69/67/1221486967.db2.gz HXKZIJQRJAFKEW-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(=C)C)CC[C@@H]2C)CC1 ZINC000968682356 1221487456 /nfs/dbraw/zinc/48/74/56/1221487456.db2.gz QBFOYEIAKNNFRQ-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100611 1221808606 /nfs/dbraw/zinc/80/86/06/1221808606.db2.gz CFXVTBBDJHRCPU-LJQANCHMSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016923034 1226972992 /nfs/dbraw/zinc/97/29/92/1226972992.db2.gz HILGILVHOVEVBF-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016929255 1226977560 /nfs/dbraw/zinc/97/75/60/1226977560.db2.gz DINDIHHVBKQYEH-QGZVFWFLSA-N 2 0 328.460 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@@H](F)CC)CC3)CC1 ZINC001016986678 1227015549 /nfs/dbraw/zinc/01/55/49/1227015549.db2.gz SBJZRRYNBVYWGL-ZWKOTPCHSA-N 2 0 349.494 2.050 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128137 1230336167 /nfs/dbraw/zinc/33/61/67/1230336167.db2.gz VGKWAUCWTVGLSF-IRXDYDNUSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039156082 1230376292 /nfs/dbraw/zinc/37/62/92/1230376292.db2.gz XOHRNOKMDBSDEA-QGZVFWFLSA-N 2 0 343.471 2.149 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236942 1230469668 /nfs/dbraw/zinc/46/96/68/1230469668.db2.gz DSYCAAZUEUPNIR-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295323 1231156553 /nfs/dbraw/zinc/15/65/53/1231156553.db2.gz CQWKIQBCZAFAQZ-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001040393733 1231204901 /nfs/dbraw/zinc/20/49/01/1231204901.db2.gz DCCURYUAFKGHFU-PMACEKPBSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C(C)C)C3)CC1 ZINC001040542768 1231284285 /nfs/dbraw/zinc/28/42/85/1231284285.db2.gz LIDVBGUOHRHOKR-HXUWFJFHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543931 1231285086 /nfs/dbraw/zinc/28/50/86/1231285086.db2.gz RRHTVWZVFSGYCF-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040545076 1231285856 /nfs/dbraw/zinc/28/58/56/1231285856.db2.gz MQJOZDWEEWOQRV-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001040915303 1231403561 /nfs/dbraw/zinc/40/35/61/1231403561.db2.gz XMNCZNAACWCRRQ-UHFFFAOYSA-N 2 0 337.895 2.149 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947979 1231408326 /nfs/dbraw/zinc/40/83/26/1231408326.db2.gz LFRGAJRXQFSYBW-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844455 1231728145 /nfs/dbraw/zinc/72/81/45/1231728145.db2.gz IUFZHBQEMIEXID-FQEVSTJZSA-N 2 0 327.472 2.472 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001045204987 1233578363 /nfs/dbraw/zinc/57/83/63/1233578363.db2.gz ALWKRZABHULFPQ-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441250 1233747518 /nfs/dbraw/zinc/74/75/18/1233747518.db2.gz BTLBROSBSBSQPJ-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045590359 1233838696 /nfs/dbraw/zinc/83/86/96/1233838696.db2.gz YDTKQTGLNMHSCV-UHFFFAOYSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951250 1234217717 /nfs/dbraw/zinc/21/77/17/1234217717.db2.gz BZPAULZCLMHXLJ-TZIWHRDSSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980176 1234270612 /nfs/dbraw/zinc/27/06/12/1234270612.db2.gz SHFXRBZUCBISAI-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477653 1234847901 /nfs/dbraw/zinc/84/79/01/1234847901.db2.gz UWQGRMFKJXOXAD-SFHVURJKSA-N 2 0 325.416 2.038 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538558 1237908701 /nfs/dbraw/zinc/90/87/01/1237908701.db2.gz ZUKPDZIEAYBMFZ-OBKDMQGPSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820349 1238739794 /nfs/dbraw/zinc/73/97/94/1238739794.db2.gz GEODWNDXOMVUKV-QRVBRYPASA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000027514 1239833089 /nfs/dbraw/zinc/83/30/89/1239833089.db2.gz QJUKWWFUXXBLRP-CQSZACIVSA-N 2 0 325.840 2.288 20 30 EEEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001000315329 1240161518 /nfs/dbraw/zinc/16/15/18/1240161518.db2.gz RVFUBISMJFQAKK-UHFFFAOYSA-N 2 0 331.504 2.409 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913147 1242674034 /nfs/dbraw/zinc/67/40/34/1242674034.db2.gz BQEWPQFASDACSP-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687191 1244128250 /nfs/dbraw/zinc/12/82/50/1244128250.db2.gz IEMGGKBTKXFLJO-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857101 1245395800 /nfs/dbraw/zinc/39/58/00/1245395800.db2.gz HZBWMRUEUIYLRD-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313634 1245645622 /nfs/dbraw/zinc/64/56/22/1245645622.db2.gz HEJQWLAUGFHLDB-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339788 1245684326 /nfs/dbraw/zinc/68/43/26/1245684326.db2.gz GKYGFYNXHLKLGN-GNBUJSLZSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039275 1245741750 /nfs/dbraw/zinc/74/17/50/1245741750.db2.gz DLQQLCIYHYZNOY-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001101569579 1245972892 /nfs/dbraw/zinc/97/28/92/1245972892.db2.gz GNGSBAJIOXAFQF-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054061148 1247273750 /nfs/dbraw/zinc/27/37/50/1247273750.db2.gz VOFFBDOEWHKUCK-RTBURBONSA-N 2 0 327.472 2.057 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141691 1247505015 /nfs/dbraw/zinc/50/50/15/1247505015.db2.gz NRNREIGVGYMRBV-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209728 1247726101 /nfs/dbraw/zinc/72/61/01/1247726101.db2.gz WKZUGDGJKOYBPE-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CCCC)C3)C2)CC1 ZINC001054244582 1247857963 /nfs/dbraw/zinc/85/79/63/1247857963.db2.gz HLIKRFOBQZDSNO-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054272915 1247969605 /nfs/dbraw/zinc/96/96/05/1247969605.db2.gz KRDJVURGPMQZKG-UHFFFAOYSA-N 2 0 337.467 2.270 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828680 1254691635 /nfs/dbraw/zinc/69/16/35/1254691635.db2.gz SIBQXQDAZMSEKQ-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001188106724 1279766294 /nfs/dbraw/zinc/76/62/94/1279766294.db2.gz SLRYZHRIMXDAQI-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245522 1282954878 /nfs/dbraw/zinc/95/48/78/1282954878.db2.gz BTDUJVNMEOYGAL-GOSISDBHSA-N 2 0 345.487 2.097 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1OC ZINC001198759129 1285344209 /nfs/dbraw/zinc/34/42/09/1285344209.db2.gz BWEULESUXBRDGS-QGZVFWFLSA-N 2 0 331.460 2.112 20 30 EEEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852098870 1291992147 /nfs/dbraw/zinc/99/21/47/1291992147.db2.gz YDBJORJFDGANNH-FQEVSTJZSA-N 2 0 342.487 2.159 20 30 EEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001073116380 1296538408 /nfs/dbraw/zinc/53/84/08/1296538408.db2.gz NAYQXFSRULNRNP-UHFFFAOYSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC2CCCC2)C3)CC1 ZINC001073455525 1297081974 /nfs/dbraw/zinc/08/19/74/1297081974.db2.gz JUAURFZAHCMVOV-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099522215 1299184332 /nfs/dbraw/zinc/18/43/32/1299184332.db2.gz VJUKTGQQGMXANE-VJANTYMQSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCCCC)C[C@H]32)CC1 ZINC001222046747 1299301389 /nfs/dbraw/zinc/30/13/89/1299301389.db2.gz UCDQRIINJXAESC-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694129 1299797371 /nfs/dbraw/zinc/79/73/71/1299797371.db2.gz PBRGJEXOIKWJLX-QYZOEREBSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001230266618 1303133002 /nfs/dbraw/zinc/13/30/02/1303133002.db2.gz QICRDLJWOCTJJE-RTBURBONSA-N 2 0 327.472 2.402 20 30 EEEDRP N#CC1(NC(=O)[C@@H]2CCC[C@]23CC[N@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821087 1304659797 /nfs/dbraw/zinc/65/97/97/1304659797.db2.gz CRXJKVBYFKLLKC-PKOBYXMFSA-N 2 0 344.503 2.041 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001121183261 1309945249 /nfs/dbraw/zinc/94/52/49/1309945249.db2.gz HNIHFVMOBBUDIZ-LMBQMVEXSA-N 2 0 325.472 2.259 20 30 EEEDRP C=CCCCCCC[C@H](O)C[NH2+]CC1(C(=O)OCC)CC[NH2+]CC1 ZINC001246007979 1310208518 /nfs/dbraw/zinc/20/85/18/1310208518.db2.gz ZVPZBPNBMRBIIX-KRWDZBQOSA-N 2 0 340.508 2.396 20 30 EEEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246023544 1310212604 /nfs/dbraw/zinc/21/26/04/1310212604.db2.gz CVMVQXPJGVJPDF-QYZOEREBSA-N 2 0 326.525 2.392 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001151027649 1316433455 /nfs/dbraw/zinc/43/34/55/1316433455.db2.gz ZHWYJJOIZUTEOP-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152138318 1316637431 /nfs/dbraw/zinc/63/74/31/1316637431.db2.gz UWBJGAZHNYMEMJ-HOTGVXAUSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153829135 1316894491 /nfs/dbraw/zinc/89/44/91/1316894491.db2.gz ZQHYOZHLSGZWIJ-MRXNPFEDSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001153998288 1316933089 /nfs/dbraw/zinc/93/30/89/1316933089.db2.gz MOTGYSPEXOSUPR-VQIMIIECSA-N 2 0 347.478 2.344 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)cn1 ZINC001278591186 1317294288 /nfs/dbraw/zinc/29/42/88/1317294288.db2.gz MCQJSDTXMVJXIF-UHFFFAOYSA-N 2 0 349.438 2.152 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001155289153 1317539145 /nfs/dbraw/zinc/53/91/45/1317539145.db2.gz LVZVSIHKZKNJQP-CJNGLKHVSA-N 2 0 336.505 2.287 20 30 EEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394424 1317578024 /nfs/dbraw/zinc/57/80/24/1317578024.db2.gz MCPUWOXARZUHBY-QRQLOZEOSA-N 2 0 329.488 2.344 20 30 EEEDRP C=CCOC[C@@H](O)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252470256 1317610120 /nfs/dbraw/zinc/61/01/20/1317610120.db2.gz JHCSOCJWBVBJGW-FQEVSTJZSA-N 2 0 332.488 2.394 20 30 EEEDRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254663003 1318160009 /nfs/dbraw/zinc/16/00/09/1318160009.db2.gz NJKWNCHYPNSSHN-INDMIFKZSA-N 2 0 344.503 2.086 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001157886647 1318917378 /nfs/dbraw/zinc/91/73/78/1318917378.db2.gz JTYFCGPQFJDILE-LJQANCHMSA-N 2 0 345.462 2.146 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160359894 1320144084 /nfs/dbraw/zinc/14/40/84/1320144084.db2.gz FILVEKUPUNRJSI-LJQANCHMSA-N 2 0 331.504 2.411 20 30 EEEDRP N#CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160743244 1320255215 /nfs/dbraw/zinc/25/52/15/1320255215.db2.gz VJROHPXVFCZHCF-INIZCTEOSA-N 2 0 336.867 2.429 20 30 EEEDRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3ncc(C#N)s3)c2)CC1 ZINC001161005542 1320351937 /nfs/dbraw/zinc/35/19/37/1320351937.db2.gz PUBNYRWVZFUPBR-UHFFFAOYSA-N 2 0 329.429 2.495 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161028016 1320360224 /nfs/dbraw/zinc/36/02/24/1320360224.db2.gz DNMYQMZLAFBSHK-UHFFFAOYSA-N 2 0 329.444 2.117 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001162832236 1320970077 /nfs/dbraw/zinc/97/00/77/1320970077.db2.gz LWJGLWASJYCVRS-FQEVSTJZSA-N 2 0 341.499 2.011 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223497 1321071020 /nfs/dbraw/zinc/07/10/20/1321071020.db2.gz JRKYVDPHIGECME-HXUWFJFHSA-N 2 0 339.483 2.008 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165292289 1321494674 /nfs/dbraw/zinc/49/46/74/1321494674.db2.gz IXFJTGSEYLSXPO-UHFFFAOYSA-N 2 0 333.501 2.323 20 30 EEEDRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001262562442 1322323498 /nfs/dbraw/zinc/32/34/98/1322323498.db2.gz AVPPLKLVPMFBCO-GPMSIDNRSA-N 2 0 331.460 2.071 20 30 EEEDRP C[NH+](C)CCn1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cn1 ZINC001206359561 1323469515 /nfs/dbraw/zinc/46/95/15/1323469515.db2.gz NXTYYIAWHLDMOR-UHFFFAOYSA-N 2 0 339.443 2.114 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(C#N)n(C)c1 ZINC001207109788 1323856440 /nfs/dbraw/zinc/85/64/40/1323856440.db2.gz TUSRMHBFNKWHKI-UHFFFAOYSA-N 2 0 333.524 2.382 20 30 EEEDRP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207484582 1323991706 /nfs/dbraw/zinc/99/17/06/1323991706.db2.gz QKXGPBCCCGTDMH-SFHVURJKSA-N 2 0 332.492 2.254 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208331699 1324432146 /nfs/dbraw/zinc/43/21/46/1324432146.db2.gz VZDVOCIQKLRAIV-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200722385 1338550521 /nfs/dbraw/zinc/55/05/21/1338550521.db2.gz WJKQWAZPKSMFRM-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP N#CCCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c(-c2ccncc2)n1 ZINC001580052743 1344460157 /nfs/dbraw/zinc/46/01/57/1344460157.db2.gz UJNZOQPEBKIYSR-DLBZAZTESA-N 2 0 336.443 2.218 20 30 EEEDRP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001670214262 1356297755 /nfs/dbraw/zinc/29/77/55/1356297755.db2.gz ZYJIPZSSBGOGQQ-INIZCTEOSA-N 2 0 334.489 2.042 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001112444313 1371443750 /nfs/dbraw/zinc/44/37/50/1371443750.db2.gz PEGNPBVCQIPIGH-ZVDOUQERSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121995291 1371938985 /nfs/dbraw/zinc/93/89/85/1371938985.db2.gz QSYBLZDARBCOTN-UHFFFAOYSA-N 2 0 331.504 2.147 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001375519116 1377809520 /nfs/dbraw/zinc/80/95/20/1377809520.db2.gz PATWQXIJSWXGCZ-LESCRADOSA-N 2 0 346.450 2.022 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001379505296 1380725895 /nfs/dbraw/zinc/72/58/95/1380725895.db2.gz CYNRLZFISLUIIO-INIZCTEOSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001401285746 1397120607 /nfs/dbraw/zinc/12/06/07/1397120607.db2.gz AVDDZKXTCCECTH-GXTWGEPZSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001401706178 1397522038 /nfs/dbraw/zinc/52/20/38/1397522038.db2.gz PSRZRCHHKXXNBP-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001422524011 1399984336 /nfs/dbraw/zinc/98/43/36/1399984336.db2.gz AHVUYYZACRUWSY-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001425687517 1401736589 /nfs/dbraw/zinc/73/65/89/1401736589.db2.gz ZCHSYMLSZWWEGC-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001755741037 1407800667 /nfs/dbraw/zinc/80/06/67/1407800667.db2.gz CZQDZTAALJNIMS-VQTJNVASSA-N 2 0 341.499 2.059 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691565046 1410396847 /nfs/dbraw/zinc/39/68/47/1410396847.db2.gz WVMGCZONESFSEJ-OALUTQOASA-N 2 0 342.487 2.426 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038700 1410514885 /nfs/dbraw/zinc/51/48/85/1410514885.db2.gz LTCHHBRXWSGISP-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(Br)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100459291 1410655590 /nfs/dbraw/zinc/65/55/90/1410655590.db2.gz ZBUOERSKGPYEMJ-UHFFFAOYSA-N 2 0 346.313 2.110 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179540 757461467 /nfs/dbraw/zinc/46/14/67/757461467.db2.gz MUEZURAFSVGQQJ-QGZVFWFLSA-N 2 0 339.524 2.186 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211627539 761261833 /nfs/dbraw/zinc/26/18/33/761261833.db2.gz JZMHPPMNTUXGIN-RBUKOAKNSA-N 2 0 341.499 2.324 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430381 769089719 /nfs/dbraw/zinc/08/97/19/769089719.db2.gz MEMYNEMDRFQTOA-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445044 769263206 /nfs/dbraw/zinc/26/32/06/769263206.db2.gz CRKMZUOQCWLTPA-RBUKOAKNSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669200 769996836 /nfs/dbraw/zinc/99/68/36/769996836.db2.gz MUCLJCBDXKDYSM-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256534 783180498 /nfs/dbraw/zinc/18/04/98/783180498.db2.gz WLMZOGGPPPGTPU-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000980477110 774700573 /nfs/dbraw/zinc/70/05/73/774700573.db2.gz AJKKRLNRAVCJKY-IBGZPJMESA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334714 777191168 /nfs/dbraw/zinc/19/11/68/777191168.db2.gz ODNWTOJWSIAWIV-LSDHHAIUSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089858448 778465344 /nfs/dbraw/zinc/46/53/44/778465344.db2.gz AVOBTIRLTHXTIR-OKYOBFRVSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281476 779527748 /nfs/dbraw/zinc/52/77/48/779527748.db2.gz YNEXLFOTNTZHDT-BGYRXZFFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4nccn43)C[C@@]2(C)C1 ZINC000982295961 779605570 /nfs/dbraw/zinc/60/55/70/779605570.db2.gz HPHGYXJFLAYKMH-LZQZEXGQSA-N 2 0 328.460 2.117 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305995 779657941 /nfs/dbraw/zinc/65/79/41/779657941.db2.gz CLUDEUJVPXXXLL-UKAVVXHISA-N 2 0 343.515 2.197 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261693962 780412683 /nfs/dbraw/zinc/41/26/83/780412683.db2.gz SAXRXPSNNALERJ-GVDBMIGSSA-N 2 0 348.535 2.374 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087519704 781647006 /nfs/dbraw/zinc/64/70/06/781647006.db2.gz YRUWNMSMIJTATC-OTWHNJEPSA-N 2 0 340.471 2.122 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CC#Cc1ccccc1 ZINC001087519336 781650694 /nfs/dbraw/zinc/65/06/94/781650694.db2.gz JUODZXWEUYDKRY-XUVXKRRUSA-N 2 0 339.483 2.101 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327833 783520476 /nfs/dbraw/zinc/52/04/76/783520476.db2.gz XZUQTQJXRIMWMF-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807746 783532492 /nfs/dbraw/zinc/53/24/92/783532492.db2.gz DKMRBBWQIQPDLT-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035225869 784110865 /nfs/dbraw/zinc/11/08/65/784110865.db2.gz BKKPFCGONZDOAY-ZBFHGGJFSA-N 2 0 339.911 2.251 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035237402 784157530 /nfs/dbraw/zinc/15/75/30/784157530.db2.gz JQLVWSKZMWMWKF-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135742922 784349898 /nfs/dbraw/zinc/34/98/98/784349898.db2.gz AWIGWLDJMPPNPS-ZWKOTPCHSA-N 2 0 329.488 2.253 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743698 784352455 /nfs/dbraw/zinc/35/24/55/784352455.db2.gz ODJOSFWTSRNOEO-STQMWFEESA-N 2 0 334.302 2.110 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939380 784831106 /nfs/dbraw/zinc/83/11/06/784831106.db2.gz ZDIROSLZNUBVIS-HZPDHXFCSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035719842 785013032 /nfs/dbraw/zinc/01/30/32/785013032.db2.gz BRWDVXXJQRFTER-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720153 785014295 /nfs/dbraw/zinc/01/42/95/785014295.db2.gz GUPOLEDZEFEQFC-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035772539 785152235 /nfs/dbraw/zinc/15/22/35/785152235.db2.gz FIZPXDGSUYDCJX-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442892 787253998 /nfs/dbraw/zinc/25/39/98/787253998.db2.gz PVBQZOGUOMLZOI-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997435018 789904635 /nfs/dbraw/zinc/90/46/35/789904635.db2.gz SRNXQADKSQDVKL-MRXNPFEDSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C(F)(F)F ZINC000998284538 792464250 /nfs/dbraw/zinc/46/42/50/792464250.db2.gz YRIOIKQYYCMWRK-KGLIPLIRSA-N 2 0 345.409 2.170 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951196 793082936 /nfs/dbraw/zinc/08/29/36/793082936.db2.gz XBMWVIQVAKRXRF-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001086953621 793091190 /nfs/dbraw/zinc/09/11/90/793091190.db2.gz NPNOQPLSBVRJHY-QGZVFWFLSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1 ZINC000998929490 793573099 /nfs/dbraw/zinc/57/30/99/793573099.db2.gz XAUFOSPKNBQWFG-ACBHZAAOSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000999389769 794401012 /nfs/dbraw/zinc/40/10/12/794401012.db2.gz CDBYZVIADSNYHC-OALUTQOASA-N 2 0 343.446 2.004 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000999437655 794462888 /nfs/dbraw/zinc/46/28/88/794462888.db2.gz YMXLMSGWJJPMLJ-PBHICJAKSA-N 2 0 348.516 2.287 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506868 794558218 /nfs/dbraw/zinc/55/82/18/794558218.db2.gz CFEKXEUIDTWVEG-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093223502 794878264 /nfs/dbraw/zinc/87/82/64/794878264.db2.gz ZWEQXAFGWQVVNN-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794963 794950528 /nfs/dbraw/zinc/95/05/28/794950528.db2.gz WXPSBOURJDWSRI-HOTGVXAUSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036860014 795511067 /nfs/dbraw/zinc/51/10/67/795511067.db2.gz ZIERXXMYJPSQIL-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080192883 795697879 /nfs/dbraw/zinc/69/78/79/795697879.db2.gz RSEJUMUWXLZWMM-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418984 796207890 /nfs/dbraw/zinc/20/78/90/796207890.db2.gz JTCPPINUQKALIQ-YFHUEUNASA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H]1C ZINC000993339055 796426390 /nfs/dbraw/zinc/42/63/90/796426390.db2.gz QVFGDNRAHIKZIQ-NVXWUHKLSA-N 2 0 330.476 2.307 20 30 EEEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001172499513 797011018 /nfs/dbraw/zinc/01/10/18/797011018.db2.gz SPDTYOXDZOKSIX-INIZCTEOSA-N 2 0 334.508 2.333 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001094962490 797118891 /nfs/dbraw/zinc/11/88/91/797118891.db2.gz HMWVBLKDVZDAEL-ZOBUZTSGSA-N 2 0 337.427 2.036 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001095036040 797259204 /nfs/dbraw/zinc/25/92/04/797259204.db2.gz UOHKOJQRGTVESS-UHOSZYNNSA-N 2 0 331.504 2.264 20 30 EEEDRP C=CCOC1CCC([N@@H+](CCC[NH+](C)C)CCC(=O)OC)CC1 ZINC001173321029 797359152 /nfs/dbraw/zinc/35/91/52/797359152.db2.gz VJDOJAPUFXOVKN-UHFFFAOYSA-N 2 0 326.481 2.317 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545877 798315214 /nfs/dbraw/zinc/31/52/14/798315214.db2.gz WVQGMKPDGJBYKH-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014120 798610839 /nfs/dbraw/zinc/61/08/39/798610839.db2.gz FBVPLSPKPLMHRT-QYZOEREBSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803288 798624551 /nfs/dbraw/zinc/62/45/51/798624551.db2.gz UPCVVBQYAOVPCF-HOCLYGCPSA-N 2 0 325.884 2.194 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001179435757 799921086 /nfs/dbraw/zinc/92/10/86/799921086.db2.gz VNDYZAXHGZPCHX-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)CC1 ZINC001085432552 800496908 /nfs/dbraw/zinc/49/69/08/800496908.db2.gz DWSKBWVSGBRFDD-RTBURBONSA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001183086071 801449925 /nfs/dbraw/zinc/44/99/25/801449925.db2.gz QDBUWTUVPZPQFO-UHFFFAOYSA-N 2 0 342.487 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCC=C)C2)CC1 ZINC001183497171 801629615 /nfs/dbraw/zinc/62/96/15/801629615.db2.gz WRHYXFLOHYDGGL-WIYYLYMNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184411559 802024073 /nfs/dbraw/zinc/02/40/73/802024073.db2.gz DVGMNYQTHRETTN-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004487763 802192674 /nfs/dbraw/zinc/19/26/74/802192674.db2.gz FXHIEXHUZDLNIY-IBGZPJMESA-N 2 0 336.439 2.284 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C=C\Cl)C[C@H]2CC1 ZINC000946628179 802368102 /nfs/dbraw/zinc/36/81/02/802368102.db2.gz KKWNHPSIIAUJDI-HTGVDHAYSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001086278260 802660088 /nfs/dbraw/zinc/66/00/88/802660088.db2.gz OJQZSVHSPSEJTF-IZAXUBKRSA-N 2 0 331.504 2.006 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086402387 802899765 /nfs/dbraw/zinc/89/97/65/802899765.db2.gz RHLJWRSKOKKCMX-ZQIUZPCESA-N 2 0 346.500 2.088 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086402386 802900113 /nfs/dbraw/zinc/90/01/13/802900113.db2.gz RHLJWRSKOKKCMX-CKEIUWERSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169941411 804227254 /nfs/dbraw/zinc/22/72/54/804227254.db2.gz RQYUFYHKTKSGET-UHFFFAOYSA-N 2 0 346.313 2.111 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109361221 805358505 /nfs/dbraw/zinc/35/85/05/805358505.db2.gz OWDYYMHTKJZSFB-NCOADZHNSA-N 2 0 325.472 2.354 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001170210518 809814071 /nfs/dbraw/zinc/81/40/71/809814071.db2.gz BOGUFQMTHDOCFX-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534386 810912854 /nfs/dbraw/zinc/91/28/54/810912854.db2.gz PMNADUHIMPPVHS-FQEVSTJZSA-N 2 0 327.472 2.229 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130430771 811629607 /nfs/dbraw/zinc/62/96/07/811629607.db2.gz IFINQDXOCPUVKX-RDJZCZTQSA-N 2 0 347.507 2.122 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130711096 811959822 /nfs/dbraw/zinc/95/98/22/811959822.db2.gz NDZQPHFLCHCCJQ-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131605139 813007307 /nfs/dbraw/zinc/00/73/07/813007307.db2.gz ZHPBOVNLXQNJGM-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001440464402 1093685476 /nfs/dbraw/zinc/68/54/76/1093685476.db2.gz LEYOYOOPEJJGFT-OAHLLOKOSA-N 2 0 348.516 2.242 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442202551 1096485954 /nfs/dbraw/zinc/48/59/54/1096485954.db2.gz XLFHIYFCQXSBMO-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001496905912 1101699323 /nfs/dbraw/zinc/69/93/23/1101699323.db2.gz ASLXPWJTNGSZCT-HOTGVXAUSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000343558368 161146416 /nfs/dbraw/zinc/14/64/16/161146416.db2.gz BBKKDKYWSKJDMK-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437576218 267058581 /nfs/dbraw/zinc/05/85/81/267058581.db2.gz FLTUTEUONCTWLX-SFHVURJKSA-N 2 0 331.460 2.500 20 30 EEEDRP O=C(CN1CCC[C@H](c2ncc3n2CCCC3)C1)NC(=O)NC1CC1 ZINC000328660969 465092297 /nfs/dbraw/zinc/09/22/97/465092297.db2.gz WIDVFGZFFVLHLT-ZDUSSCGKSA-N 2 0 345.447 2.432 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000491037238 468288723 /nfs/dbraw/zinc/28/87/23/468288723.db2.gz CIHALYKZVWPAGP-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074130101 462559657 /nfs/dbraw/zinc/55/96/57/462559657.db2.gz MCLKZJHDMDWDOK-KRWDZBQOSA-N 2 0 336.524 2.400 20 30 EEEDRP C=C(C)COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1OC ZINC000077450082 462986479 /nfs/dbraw/zinc/98/64/79/462986479.db2.gz CDUAKNSTOHASHE-UHFFFAOYSA-N 2 0 334.460 2.196 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000057170890 463461496 /nfs/dbraw/zinc/46/14/96/463461496.db2.gz NRCAWWBATYLYDO-LJQANCHMSA-N 2 0 333.520 2.204 20 30 EEEDRP CC[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262355772 464009335 /nfs/dbraw/zinc/00/93/35/464009335.db2.gz FWSOWOCUHJVVQP-OAHLLOKOSA-N 2 0 333.505 2.172 20 30 EEEDRP CCCCOc1ncccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000264075641 464279539 /nfs/dbraw/zinc/27/95/39/464279539.db2.gz FQVKTPVAISXNSM-INIZCTEOSA-N 2 0 333.480 2.149 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174341299 464395832 /nfs/dbraw/zinc/39/58/32/464395832.db2.gz FBXBRIVKNHBOOC-UHFFFAOYSA-N 2 0 330.476 2.398 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329865805 465456229 /nfs/dbraw/zinc/45/62/29/465456229.db2.gz APDBDCCPRVDGIK-IYBDPMFKSA-N 2 0 345.491 2.163 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000361798521 466299561 /nfs/dbraw/zinc/29/95/61/466299561.db2.gz MUZUICVKQZYMIJ-MSOLQXFVSA-N 2 0 325.460 2.138 20 30 EEEDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000591570848 468485063 /nfs/dbraw/zinc/48/50/63/468485063.db2.gz WHJOOCREEONNNP-ZDUSSCGKSA-N 2 0 333.407 2.108 20 30 EEEDRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000333269771 466612488 /nfs/dbraw/zinc/61/24/88/466612488.db2.gz HLXFIPNBKHPBEP-UHFFFAOYSA-N 2 0 327.476 2.395 20 30 EEEDRP Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc1OCC[NH+]1CCCC1 ZINC000424148313 466990478 /nfs/dbraw/zinc/99/04/78/466990478.db2.gz UFIPFPYUROHYLM-QGZVFWFLSA-N 2 0 344.459 2.429 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391687 468164729 /nfs/dbraw/zinc/16/47/29/468164729.db2.gz VGDJRZXHXLWHSW-OALUTQOASA-N 2 0 345.487 2.202 20 30 EEEDRP C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(C)(C)C[NH+](C)C ZINC000582840735 468604100 /nfs/dbraw/zinc/60/41/00/468604100.db2.gz IZDHVIHVSAUNOO-RDJZCZTQSA-N 2 0 333.476 2.058 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000584108677 468800905 /nfs/dbraw/zinc/80/09/05/468800905.db2.gz NUHRSHAGRRJDFX-CGTJXYLNSA-N 2 0 348.487 2.236 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000571580216 468807865 /nfs/dbraw/zinc/80/78/65/468807865.db2.gz VUKXLFCDGPOOGZ-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C=CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000748462214 577962312 /nfs/dbraw/zinc/96/23/12/577962312.db2.gz BOXVGFCYLBNRRZ-UHFFFAOYSA-N 2 0 345.491 2.200 20 30 EEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461143 675910792 /nfs/dbraw/zinc/91/07/92/675910792.db2.gz YNIBTWVTAWRYGA-DBVUQKKJSA-N 2 0 341.499 2.344 20 30 EEEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970327010 675790611 /nfs/dbraw/zinc/79/06/11/675790611.db2.gz YNYBSMHKGUCXRM-APWZRJJASA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638398 676293974 /nfs/dbraw/zinc/29/39/74/676293974.db2.gz DSRGNSMAPGURHC-AZUAARDMSA-N 2 0 348.450 2.432 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888866 679672563 /nfs/dbraw/zinc/67/25/63/679672563.db2.gz FBRKBHIQSXPHAG-PBHICJAKSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711621 676369747 /nfs/dbraw/zinc/36/97/47/676369747.db2.gz YYRHQNIYKQQJMH-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411679 679296235 /nfs/dbraw/zinc/29/62/35/679296235.db2.gz IGXMJDAPRNUAHH-MJGOQNOKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001023761807 679567436 /nfs/dbraw/zinc/56/74/36/679567436.db2.gz JUKWZYHEPSLHGZ-IBGZPJMESA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CC(=C)C)C[C@]3(C)C2)CC1 ZINC000982830857 681349760 /nfs/dbraw/zinc/34/97/60/681349760.db2.gz BLCGWKDUNJGMAT-OYRHEFFESA-N 2 0 343.515 2.078 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982505974 681368397 /nfs/dbraw/zinc/36/83/97/681368397.db2.gz BBNWKLUFWKJVHT-BGYRXZFFSA-N 2 0 333.520 2.465 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001024900409 681557433 /nfs/dbraw/zinc/55/74/33/681557433.db2.gz DGCSOJMORJVFEZ-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261822277 681583516 /nfs/dbraw/zinc/58/35/16/681583516.db2.gz UPTFTYWTRSDGPM-CXAGYDPISA-N 2 0 340.475 2.019 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724897 682110779 /nfs/dbraw/zinc/11/07/79/682110779.db2.gz FYLRJLLBODTXTB-QGZVKYPTSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247254 682315904 /nfs/dbraw/zinc/31/59/04/682315904.db2.gz JYHNPFQLHQTGOK-QZTJIDSGSA-N 2 0 329.488 2.094 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453369 682793848 /nfs/dbraw/zinc/79/38/48/682793848.db2.gz QSHNQEHOVKURCU-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC000992798870 683479138 /nfs/dbraw/zinc/47/91/38/683479138.db2.gz JEHWQRIYJMCSMP-USXIJHARSA-N 2 0 331.460 2.358 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC000985155268 685990779 /nfs/dbraw/zinc/99/07/79/685990779.db2.gz SZJDDEHHMDXQCM-KESTWPANSA-N 2 0 343.515 2.316 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)C1 ZINC000262440529 686100223 /nfs/dbraw/zinc/10/02/23/686100223.db2.gz UNIHULGIRJDYIE-NXOAAHMSSA-N 2 0 336.524 2.039 20 30 EEEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCSCC1 ZINC000262503934 686510888 /nfs/dbraw/zinc/51/08/88/686510888.db2.gz AYAOXZWPLUWHIM-UHFFFAOYSA-N 2 0 342.578 2.102 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029843185 687292938 /nfs/dbraw/zinc/29/29/38/687292938.db2.gz FHXJQWZPJAMJSA-OALUTQOASA-N 2 0 342.487 2.179 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991013865 694186698 /nfs/dbraw/zinc/18/66/98/694186698.db2.gz AIUAHTCBOHQBSD-WSTZPKSXSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986353852 688504012 /nfs/dbraw/zinc/50/40/12/688504012.db2.gz JPKAMCJKXMMZKD-HNAYVOBHSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233290 691648254 /nfs/dbraw/zinc/64/82/54/691648254.db2.gz YGHVNFKAKXPQJY-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233297 691648749 /nfs/dbraw/zinc/64/87/49/691648749.db2.gz YGHVNFKAKXPQJY-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001481505887 1181589341 /nfs/dbraw/zinc/58/93/41/1181589341.db2.gz UXSRDWMTHKTDBB-OAHLLOKOSA-N 2 0 348.516 2.242 20 30 EEEDRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001271012346 1185812520 /nfs/dbraw/zinc/81/25/20/1185812520.db2.gz FCNLMYZHJPUAEB-CRAIPNDOSA-N 2 0 349.906 2.468 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001105436503 1187085795 /nfs/dbraw/zinc/08/57/95/1187085795.db2.gz DECVPZXUJCZPPG-TYKWCNGQSA-N 2 0 341.499 2.320 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105437202 1187088323 /nfs/dbraw/zinc/08/83/23/1187088323.db2.gz RBYZDXMHJZFPSS-IZAXUBKRSA-N 2 0 349.906 2.497 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001105447607 1187206195 /nfs/dbraw/zinc/20/61/95/1187206195.db2.gz IUPRCRUDLUHBPX-TYKWCNGQSA-N 2 0 341.499 2.156 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2ccnc2)CCC1 ZINC001105551957 1188167637 /nfs/dbraw/zinc/16/76/37/1188167637.db2.gz RYGDHUHSDMIJAI-SFHVURJKSA-N 2 0 342.487 2.438 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105560871 1188177608 /nfs/dbraw/zinc/17/76/08/1188177608.db2.gz DWAPZVOQPQYEBG-GOSISDBHSA-N 2 0 331.504 2.102 20 30 EEEDRP Cc1nccn1CCCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001168363897 1188568365 /nfs/dbraw/zinc/56/83/65/1188568365.db2.gz WHXKSTHCRUIQBK-UHFFFAOYSA-N 2 0 338.455 2.119 20 30 EEEDRP C=C(Br)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001409458112 1189706235 /nfs/dbraw/zinc/70/62/35/1189706235.db2.gz VSDANESXWDYZAS-CYBMUJFWSA-N 2 0 348.329 2.309 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001034528921 1196334491 /nfs/dbraw/zinc/33/44/91/1196334491.db2.gz URNZHZHREUTSGB-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001034939576 1196924572 /nfs/dbraw/zinc/92/45/72/1196924572.db2.gz GRXJTRNPIYGHIP-CKEIUWERSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc[nH]1)C2 ZINC001273146125 1197022897 /nfs/dbraw/zinc/02/28/97/1197022897.db2.gz HPBHHACFBQZPDK-UHFFFAOYSA-N 2 0 342.487 2.091 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001410939045 1198609286 /nfs/dbraw/zinc/60/92/86/1198609286.db2.gz IOXAYGFZTQPQMZ-GJZGRUSLSA-N 2 0 348.516 2.336 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001411273198 1199027001 /nfs/dbraw/zinc/02/70/01/1199027001.db2.gz HIPTWAHOOAJJRO-CTWPCTMYSA-N 2 0 342.487 2.223 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086711772 1199042123 /nfs/dbraw/zinc/04/21/23/1199042123.db2.gz ASFKDFVCJSJYID-XHSDSOJGSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937196 1200212767 /nfs/dbraw/zinc/21/27/67/1200212767.db2.gz IIBYBCXUBJNKFB-WBVHZDCISA-N 2 0 338.455 2.354 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001133090915 1200433088 /nfs/dbraw/zinc/43/30/88/1200433088.db2.gz MDCSQXUGEWTXAO-APWZRJJASA-N 2 0 342.487 2.084 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001133122969 1200477658 /nfs/dbraw/zinc/47/76/58/1200477658.db2.gz WRRZJISNGAYWSW-QUCCMNQESA-N 2 0 343.515 2.421 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133407618 1200875329 /nfs/dbraw/zinc/87/53/29/1200875329.db2.gz KMMCIRZIKRAVTQ-GOSISDBHSA-N 2 0 349.906 2.478 20 30 EEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000887132967 1204213339 /nfs/dbraw/zinc/21/33/39/1204213339.db2.gz RBAAUPVIVAFJBV-MRXNPFEDSA-N 2 0 349.438 2.493 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275828679 1205553752 /nfs/dbraw/zinc/55/37/52/1205553752.db2.gz GKYGEGVZYBLNDQ-BGYRXZFFSA-N 2 0 326.488 2.264 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722855 1208686588 /nfs/dbraw/zinc/68/65/88/1208686588.db2.gz MHLSYOHEMBCYRJ-QFBILLFUSA-N 2 0 327.472 2.007 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000948056522 1208846705 /nfs/dbraw/zinc/84/67/05/1208846705.db2.gz KQBSPUDKNRODCU-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948861402 1209421299 /nfs/dbraw/zinc/42/12/99/1209421299.db2.gz NDVGCLSGMUKICF-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000949531856 1209731296 /nfs/dbraw/zinc/73/12/96/1209731296.db2.gz RFRLWERGZHFADM-UHFFFAOYSA-N 2 0 349.519 2.132 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793933 1213906859 /nfs/dbraw/zinc/90/68/59/1213906859.db2.gz ZZICXVKEGDASLG-ZWKOTPCHSA-N 3 0 337.556 2.276 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)CC1 ZINC000957573293 1215222610 /nfs/dbraw/zinc/22/26/10/1215222610.db2.gz QBSRLJGHIAFGTG-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000959914052 1216224736 /nfs/dbraw/zinc/22/47/36/1216224736.db2.gz DGCSOJMORJVFEZ-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189408 1217078059 /nfs/dbraw/zinc/07/80/59/1217078059.db2.gz ZDKRYVYRNLDRKQ-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376815 1217164379 /nfs/dbraw/zinc/16/43/79/1217164379.db2.gz DJDMOWHSWNUZGM-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000962306522 1217603556 /nfs/dbraw/zinc/60/35/56/1217603556.db2.gz OMTBDDPDSSOVAW-LYGPFTKASA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034473 1218211559 /nfs/dbraw/zinc/21/15/59/1218211559.db2.gz DFKVKUMJHYRFNS-LETWWHAPSA-N 2 0 325.884 2.240 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037856438 1219578702 /nfs/dbraw/zinc/57/87/02/1219578702.db2.gz ZAPPGZQKOLLMSF-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649702 1222345691 /nfs/dbraw/zinc/34/56/91/1222345691.db2.gz WXPFXSBEOPORCG-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001016822917 1226905653 /nfs/dbraw/zinc/90/56/53/1226905653.db2.gz IVEBILJBMIEZOL-GDBMZVCRSA-N 2 0 328.460 2.376 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020251243 1229583855 /nfs/dbraw/zinc/58/38/55/1229583855.db2.gz CCWCHZUXRYQRLG-WNHJNPCNSA-N 2 0 325.456 2.082 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001039041277 1230257561 /nfs/dbraw/zinc/25/75/61/1230257561.db2.gz BKNKBTFTPOICQE-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039486409 1230651504 /nfs/dbraw/zinc/65/15/04/1230651504.db2.gz JAIWHZVMUOZIJW-FQEVSTJZSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699987 1231339984 /nfs/dbraw/zinc/33/99/84/1231339984.db2.gz FYVUAVHVFOQPDM-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285703 1231495551 /nfs/dbraw/zinc/49/55/51/1231495551.db2.gz GZJWBSNXQBPRPX-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCC(C)C)[C@@H]3C2)CC1 ZINC001042367935 1232050036 /nfs/dbraw/zinc/05/00/36/1232050036.db2.gz MKDVBFXRTGGLBF-AZUAARDMSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939016 1234194876 /nfs/dbraw/zinc/19/48/76/1234194876.db2.gz RTPGIECSNBOESL-QKNQBKEWSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001046730815 1235122631 /nfs/dbraw/zinc/12/26/31/1235122631.db2.gz GFTMEGDIOMCOIR-IBGZPJMESA-N 2 0 339.443 2.428 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046937292 1235327908 /nfs/dbraw/zinc/32/79/08/1235327908.db2.gz HRAYQICZMRRYBK-GJZGRUSLSA-N 2 0 329.435 2.119 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CC2)C3)CC1 ZINC001047209872 1235674093 /nfs/dbraw/zinc/67/40/93/1235674093.db2.gz YYJCUNIGQHEFMX-IHPCNDPISA-N 2 0 343.515 2.101 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001047238298 1235721249 /nfs/dbraw/zinc/72/12/49/1235721249.db2.gz DTGCLOOVJFTUNY-WOJBJXKFSA-N 2 0 345.531 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048563034 1237970395 /nfs/dbraw/zinc/97/03/95/1237970395.db2.gz TXBOXQGUVDGXKB-CMZRPVNOSA-N 2 0 339.911 2.296 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590181 1238040396 /nfs/dbraw/zinc/04/03/96/1238040396.db2.gz HAHMCFVGDLDZDT-GGPHIMKMSA-N 2 0 339.483 2.354 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC001000173741 1240024094 /nfs/dbraw/zinc/02/40/94/1240024094.db2.gz IUJHFLUPWIJDRF-GOSISDBHSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049523784 1241239983 /nfs/dbraw/zinc/23/99/83/1241239983.db2.gz HDZOZXDFRPPVRW-GUDVDZBRSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787710 1242184388 /nfs/dbraw/zinc/18/43/88/1242184388.db2.gz JSAIQZXZSSLNML-VQTJNVASSA-N 2 0 339.483 2.450 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050542583 1243813868 /nfs/dbraw/zinc/81/38/68/1243813868.db2.gz HWNRSDHUNNLBDN-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001050765689 1244318866 /nfs/dbraw/zinc/31/88/66/1244318866.db2.gz WVWYDAPSZOHJBC-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299852 1245500035 /nfs/dbraw/zinc/50/00/35/1245500035.db2.gz PXTHJSSMKYGOFA-OXJNMPFZSA-N 2 0 341.499 2.435 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)CC2)CC1 ZINC001052952053 1245540932 /nfs/dbraw/zinc/54/09/32/1245540932.db2.gz BJHCYOLXFIRQET-ASRSSLEJSA-N 2 0 337.895 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310701 1245642382 /nfs/dbraw/zinc/64/23/82/1245642382.db2.gz UHPBJDUIBSTIDR-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029939 1245714999 /nfs/dbraw/zinc/71/49/99/1245714999.db2.gz YRGPFMKQOIWGST-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038706 1245740707 /nfs/dbraw/zinc/74/07/07/1245740707.db2.gz ANYNMPPONIXXGB-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087552 1245867745 /nfs/dbraw/zinc/86/77/45/1245867745.db2.gz MFKGIFZTYPUTKK-AEFFLSMTSA-N 2 0 328.460 2.069 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001101550470 1245955514 /nfs/dbraw/zinc/95/55/14/1245955514.db2.gz KJKXVDYZBZNJEI-UHFFFAOYSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001101567147 1245969237 /nfs/dbraw/zinc/96/92/37/1245969237.db2.gz YSSCDXJWPWALAH-IRXDYDNUSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)O2 ZINC001053605835 1246522776 /nfs/dbraw/zinc/52/27/76/1246522776.db2.gz MTCHKEKXQBBXPO-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141593 1247504191 /nfs/dbraw/zinc/50/41/91/1247504191.db2.gz MPANBHZNFYJVEW-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001074878043 1257186764 /nfs/dbraw/zinc/18/67/64/1257186764.db2.gz XNHYZGSKLXRPOM-BXWFABGCSA-N 2 0 340.471 2.122 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001100900143 1259412233 /nfs/dbraw/zinc/41/22/33/1259412233.db2.gz SIIOMIHQERETIP-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709639 1278760928 /nfs/dbraw/zinc/76/09/28/1278760928.db2.gz KNEQIJHXVZLXEB-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC(=C)C)[C@H](C)C2)CC1 ZINC001185741412 1278769017 /nfs/dbraw/zinc/76/90/17/1278769017.db2.gz LAQQUMUBKSSSCO-QUCCMNQESA-N 2 0 345.531 2.372 20 30 EEEDRP C=CCN1CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001188309172 1279849687 /nfs/dbraw/zinc/84/96/87/1279849687.db2.gz YWLZWMPYZKHRNB-UHFFFAOYSA-N 2 0 327.472 2.440 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001190818094 1281090855 /nfs/dbraw/zinc/09/08/55/1281090855.db2.gz OBTPGNDOPLUPDE-QZTJIDSGSA-N 2 0 348.491 2.206 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1OC ZINC001198966992 1285449759 /nfs/dbraw/zinc/44/97/59/1285449759.db2.gz AFVGJZKKTLOVHI-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213525236 1296071368 /nfs/dbraw/zinc/07/13/68/1296071368.db2.gz XHOPUJYRYZLQFF-RCCFBDPRSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213713385 1296145073 /nfs/dbraw/zinc/14/50/73/1296145073.db2.gz PSFJRPBLWWGSNR-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCC1(O)CC[NH+](C/C=C/C[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886773884 1296724856 /nfs/dbraw/zinc/72/48/56/1296724856.db2.gz CRDDIGILKWWUOJ-AATRIKPKSA-N 2 0 334.504 2.349 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C)[NH+](C)C ZINC001074888441 1298355952 /nfs/dbraw/zinc/35/59/52/1298355952.db2.gz BQDCLRGCDRVOQN-KKXDTOCCSA-N 2 0 346.450 2.117 20 30 EEEDRP C[C@]1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC001221186127 1298695594 /nfs/dbraw/zinc/69/55/94/1298695594.db2.gz OBWFEJJQEAXHQR-BJLQDIEVSA-N 2 0 340.471 2.156 20 30 EEEDRP N#Cc1ccc(CN(C(=O)[C@@H]2CCCC[NH2+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184351 1298696417 /nfs/dbraw/zinc/69/64/17/1298696417.db2.gz ULUVHWOWUGJFPG-FHWLQOOXSA-N 2 0 340.471 2.299 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099547245 1299207726 /nfs/dbraw/zinc/20/77/26/1299207726.db2.gz BMGGVMHOOVIPLB-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942472 1299215031 /nfs/dbraw/zinc/21/50/31/1299215031.db2.gz MNMOQUJCBNUMPQ-AQNXPRMDSA-N 2 0 339.483 2.235 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001225228487 1300935852 /nfs/dbraw/zinc/93/58/52/1300935852.db2.gz LYSWLAKNFAWDIS-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507032 1301159646 /nfs/dbraw/zinc/15/96/46/1301159646.db2.gz MMTKBGBOEZLGHO-MBOZVWFJSA-N 2 0 329.488 2.334 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001227704000 1301934741 /nfs/dbraw/zinc/93/47/41/1301934741.db2.gz QCLBEPGWMILYJC-WOJBJXKFSA-N 2 0 341.499 2.445 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228602314 1302333373 /nfs/dbraw/zinc/33/33/73/1302333373.db2.gz HOULVSDKQFKACD-MDZRGWNJSA-N 2 0 337.483 2.239 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229860700 1302969047 /nfs/dbraw/zinc/96/90/47/1302969047.db2.gz ZOUDRRCKGSEVLP-WOJBJXKFSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCC[NH+](CCCNC(=O)CC[N@@H+](C)CCC)Cc1cccnc1 ZINC001230905699 1303538916 /nfs/dbraw/zinc/53/89/16/1303538916.db2.gz LCKSCRLRUOQASO-UHFFFAOYSA-N 2 0 344.503 2.145 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206602 1304330888 /nfs/dbraw/zinc/33/08/88/1304330888.db2.gz WNMCESIVQSOIBU-ZIAGYGMSSA-N 2 0 333.398 2.027 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115108276 1304689786 /nfs/dbraw/zinc/68/97/86/1304689786.db2.gz MCIGSJXZSVQYOA-PXCRPINLSA-N 2 0 341.499 2.476 20 30 EEEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CC(C)(C)CO)(C2)CCC3)cc1C#N ZINC001277967872 1305386551 /nfs/dbraw/zinc/38/65/51/1305386551.db2.gz JOJBRWHCXHTVPZ-VQTJNVASSA-N 2 0 344.503 2.440 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267293 1309962135 /nfs/dbraw/zinc/96/21/35/1309962135.db2.gz JRFXVNMJKXMQHS-LETWWHAPSA-N 2 0 327.900 2.342 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)CCN1 ZINC001246140842 1310244922 /nfs/dbraw/zinc/24/49/22/1310244922.db2.gz OXHKGAHAHWXRMP-MPGHIAIKSA-N 2 0 328.435 2.125 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122328893 1310261014 /nfs/dbraw/zinc/26/10/14/1310261014.db2.gz YSLHMLGEUHSERP-MSOLQXFVSA-N 2 0 332.492 2.155 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2cccc(F)c2)CCN1 ZINC001246450832 1310314497 /nfs/dbraw/zinc/31/44/97/1310314497.db2.gz LZVYHXDJJUTIDN-QYZOEREBSA-N 2 0 330.451 2.490 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140954473 1314995850 /nfs/dbraw/zinc/99/58/50/1314995850.db2.gz TVGHXBCKSHEFCG-UHFFFAOYSA-N 2 0 329.488 2.492 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192922 1316198432 /nfs/dbraw/zinc/19/84/32/1316198432.db2.gz KLCIVGDCZGMJBA-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC001152334534 1316658085 /nfs/dbraw/zinc/65/80/85/1316658085.db2.gz GOCGQHADZDUVFU-UHFFFAOYSA-N 2 0 347.890 2.199 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001159327462 1319741469 /nfs/dbraw/zinc/74/14/69/1319741469.db2.gz LFARYYRLXDLTAX-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161749747 1320609727 /nfs/dbraw/zinc/60/97/27/1320609727.db2.gz JMULFJBBCZFWKE-UHFFFAOYSA-N 2 0 337.508 2.059 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001166381014 1321709206 /nfs/dbraw/zinc/70/92/06/1321709206.db2.gz VYOOCVJUVJTGJM-UHFFFAOYSA-N 2 0 341.499 2.304 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001166972470 1321828781 /nfs/dbraw/zinc/82/87/81/1321828781.db2.gz ZWFNOSULSODGBP-UHFFFAOYSA-N 2 0 345.462 2.005 20 30 EEEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC001338488016 1336867752 /nfs/dbraw/zinc/86/77/52/1336867752.db2.gz IQBHRCJJSBRXFH-HXUWFJFHSA-N 2 0 338.451 2.248 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001341717738 1337296685 /nfs/dbraw/zinc/29/66/85/1337296685.db2.gz VSKFRAGITGQEOO-ZWKOTPCHSA-N 2 0 339.524 2.245 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636387 1338484060 /nfs/dbraw/zinc/48/40/60/1338484060.db2.gz ZFEVPKPHDARHKR-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000849117600 1339145996 /nfs/dbraw/zinc/14/59/96/1339145996.db2.gz MYUFZUFSSROQLC-QZTJIDSGSA-N 2 0 332.492 2.003 20 30 EEEDRP C#CC[C@@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC001574525550 1343679830 /nfs/dbraw/zinc/67/98/30/1343679830.db2.gz MPQXHAYWDOAJHH-FQEVSTJZSA-N 2 0 343.471 2.491 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001574973025 1343716195 /nfs/dbraw/zinc/71/61/95/1343716195.db2.gz RTAMLSMXKNIXDT-NXEWRWPSSA-N 2 0 339.483 2.429 20 30 EEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202861 1371156703 /nfs/dbraw/zinc/15/67/03/1371156703.db2.gz SLTRKYFNXZDMCZ-QRQLOZEOSA-N 2 0 333.520 2.369 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCCCC1 ZINC001115626246 1371689219 /nfs/dbraw/zinc/68/92/19/1371689219.db2.gz OGDULLLETICMJB-UHFFFAOYSA-N 2 0 339.443 2.476 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001121916272 1371932841 /nfs/dbraw/zinc/93/28/41/1371932841.db2.gz SYYXHKALXLORMC-ZACQAIPSSA-N 2 0 325.497 2.044 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccc(C#N)cc2)CC1 ZINC001369188587 1374500379 /nfs/dbraw/zinc/50/03/79/1374500379.db2.gz CUTQYKKVUAENFD-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001369549035 1374566113 /nfs/dbraw/zinc/56/61/13/1374566113.db2.gz WELCQXRPAFGSHB-CHWSQXEVSA-N 2 0 346.313 2.110 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001374826830 1377098087 /nfs/dbraw/zinc/09/80/87/1377098087.db2.gz VJIMTLZYWYEMRX-OAHLLOKOSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001376584350 1378612744 /nfs/dbraw/zinc/61/27/44/1378612744.db2.gz XANNMGQGUKZNJS-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001393057862 1390296713 /nfs/dbraw/zinc/29/67/13/1390296713.db2.gz NOJVVOGZQPQBEV-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC001399571962 1395261447 /nfs/dbraw/zinc/26/14/47/1395261447.db2.gz CGMZJKZELHJEEM-UHFFFAOYSA-N 2 0 348.466 2.223 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754469795 1406914359 /nfs/dbraw/zinc/91/43/59/1406914359.db2.gz FZZVEPLPHVNBRS-HKUYNNGSSA-N 2 0 333.520 2.491 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409612 1397984211 /nfs/dbraw/zinc/98/42/11/1397984211.db2.gz AKULOTRAPWWIQX-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001755840036 1407889043 /nfs/dbraw/zinc/88/90/43/1407889043.db2.gz QJADWCSNUPZQRP-IBGZPJMESA-N 2 0 343.515 2.499 20 30 EEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001755852544 1407905574 /nfs/dbraw/zinc/90/55/74/1407905574.db2.gz VTKAFRVZBZYDEW-KGLIPLIRSA-N 2 0 335.414 2.273 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100676895 1410694769 /nfs/dbraw/zinc/69/47/69/1410694769.db2.gz UQVOYPSUBDYELV-MNNVXMFVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010167 782763052 /nfs/dbraw/zinc/76/30/52/782763052.db2.gz LIOYJXDHKNIVFZ-MSOLQXFVSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673615 770050694 /nfs/dbraw/zinc/05/06/94/770050694.db2.gz SAGRAGMBFMDVJF-YZGWKJHDSA-N 2 0 339.483 2.078 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)CC(C)(C)C2)CC1 ZINC001089560632 770357898 /nfs/dbraw/zinc/35/78/98/770357898.db2.gz CLTMANPVXZUFGK-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108098522 783190186 /nfs/dbraw/zinc/19/01/86/783190186.db2.gz UTPDHKSMSBLYFZ-GOSISDBHSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723193 775931717 /nfs/dbraw/zinc/93/17/17/775931717.db2.gz SLUMLWOEVJUQTR-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833471 777338213 /nfs/dbraw/zinc/33/82/13/777338213.db2.gz KPIJRQJGIVDRHT-KANFNMMFSA-N 2 0 336.439 2.303 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981528535 777592291 /nfs/dbraw/zinc/59/22/91/777592291.db2.gz RUWNMYGAPIPXGG-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851640 778033902 /nfs/dbraw/zinc/03/39/02/778033902.db2.gz XMPUDLYCDGKWTJ-OKYOBFRVSA-N 2 0 331.504 2.073 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028136878 778357426 /nfs/dbraw/zinc/35/74/26/778357426.db2.gz AQMVKXOXBYTONJ-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279712 779512479 /nfs/dbraw/zinc/51/24/79/779512479.db2.gz DVVOYBGVTAKLNZ-SESVDKBCSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292283 779575314 /nfs/dbraw/zinc/57/53/14/779575314.db2.gz FDNJXEOIXOVCFZ-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP COC(=O)C1(C#N)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002128 781586812 /nfs/dbraw/zinc/58/68/12/781586812.db2.gz NAAVCAOHKOSWHK-SJPCQFCGSA-N 2 0 331.460 2.171 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001135373347 783663084 /nfs/dbraw/zinc/66/30/84/783663084.db2.gz VWKHEGTTYLXBQF-KBPBESRZSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005772755 783730345 /nfs/dbraw/zinc/73/03/45/783730345.db2.gz LMJJFOVESVDMGV-UHFFFAOYSA-N 2 0 341.499 2.350 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)C(C)C ZINC001135477576 783868219 /nfs/dbraw/zinc/86/82/19/783868219.db2.gz JXJZXJQBRMHPAO-GOSISDBHSA-N 2 0 330.476 2.130 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035183975 784019087 /nfs/dbraw/zinc/01/90/87/784019087.db2.gz CEOQYOKKJJGWOK-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035228566 784117511 /nfs/dbraw/zinc/11/75/11/784117511.db2.gz UDEFXQNWNQCNSQ-HNNXBMFYSA-N 2 0 339.911 2.395 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976504 784925897 /nfs/dbraw/zinc/92/58/97/784925897.db2.gz KNECUBRHYWWAJS-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C=CCc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc(OC)c1OC ZINC000817909440 785061750 /nfs/dbraw/zinc/06/17/50/785061750.db2.gz QZKKKJWCEAHBKH-IAOVAPTHSA-N 2 0 334.460 2.274 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035812684 785213202 /nfs/dbraw/zinc/21/32/02/785213202.db2.gz QSSBJUJFNWDDBV-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001036298748 786169567 /nfs/dbraw/zinc/16/95/67/786169567.db2.gz PEGMUGCBXIEJNU-WMLDXEAASA-N 2 0 346.500 2.042 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635755 805810514 /nfs/dbraw/zinc/81/05/14/805810514.db2.gz PWVZTPBUFWOBRO-YRXWBPOGSA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997005203 788432773 /nfs/dbraw/zinc/43/27/73/788432773.db2.gz HQADTNRUUDXYOL-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H]1CCC[NH3+] ZINC000923388360 789483960 /nfs/dbraw/zinc/48/39/60/789483960.db2.gz IWDJOTGFKSLPRU-KBAYOESNSA-N 2 0 331.460 2.137 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146338486 791182777 /nfs/dbraw/zinc/18/27/77/791182777.db2.gz GTVFEZVFISDBOU-IRXDYDNUSA-N 2 0 345.462 2.146 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584530 791337273 /nfs/dbraw/zinc/33/72/73/791337273.db2.gz TWGQRCTZOHXECR-IRXDYDNUSA-N 2 0 347.503 2.437 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001147823359 791982089 /nfs/dbraw/zinc/98/20/89/791982089.db2.gz DQXQLNDFVYWUFJ-DOTOQJQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC000998308288 792538640 /nfs/dbraw/zinc/53/86/40/792538640.db2.gz YXMQKVPZHQITHV-ZIAGYGMSSA-N 2 0 345.409 2.027 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923014 792990937 /nfs/dbraw/zinc/99/09/37/792990937.db2.gz GGQDQPIZOCTJEQ-HKUYNNGSSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198858 794446056 /nfs/dbraw/zinc/44/60/56/794446056.db2.gz VXTHNJVYKROSOS-AYOQOUSVSA-N 2 0 345.462 2.380 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1F ZINC001079320731 794577453 /nfs/dbraw/zinc/57/74/53/794577453.db2.gz HMLGHCYCULRERY-PKOBYXMFSA-N 2 0 345.462 2.382 20 30 EEEDRP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120304 794653100 /nfs/dbraw/zinc/65/31/00/794653100.db2.gz GBTFPEWNPUNHGG-QRVBRYPASA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC001093407186 795144922 /nfs/dbraw/zinc/14/49/22/795144922.db2.gz YMCXSFRNZOEZEQ-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP Cc1cnc2cc(C(=O)NCC[NH2+]Cc3ccc(C#N)s3)ccn12 ZINC001127292330 795221194 /nfs/dbraw/zinc/22/11/94/795221194.db2.gz CIWSEOKVTXJCPY-UHFFFAOYSA-N 2 0 339.424 2.096 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)CCC=C)CC1 ZINC001110147134 795384383 /nfs/dbraw/zinc/38/43/83/795384383.db2.gz MEUZXUMRVLYLSS-RNQOJCNYSA-N 2 0 343.515 2.408 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867587 795610725 /nfs/dbraw/zinc/61/07/25/795610725.db2.gz XEIGPIGHNLBPLJ-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441101 796014323 /nfs/dbraw/zinc/01/43/23/796014323.db2.gz AAOSKBTYMVOFHU-IIDMSEBBSA-N 2 0 325.472 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081128219 796660154 /nfs/dbraw/zinc/66/01/54/796660154.db2.gz MUHCEEDLRIKPSE-OTWHNJEPSA-N 2 0 329.488 2.343 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993579336 796806800 /nfs/dbraw/zinc/80/68/00/796806800.db2.gz SFCQUTUQNUOBOC-RDJZCZTQSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819769 797025401 /nfs/dbraw/zinc/02/54/01/797025401.db2.gz RKKILXZFMQMHAN-IAGOWNOFSA-N 2 0 349.906 2.101 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001106840211 797240494 /nfs/dbraw/zinc/24/04/94/797240494.db2.gz DIRMQANNHQZUIO-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082199010 797290765 /nfs/dbraw/zinc/29/07/65/797290765.db2.gz WNVMKBUYMVZQMC-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP N#CCC1CCC([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1 ZINC001173334845 797364478 /nfs/dbraw/zinc/36/44/78/797364478.db2.gz ZBBXSBWRAHZSQM-UHFFFAOYSA-N 2 0 349.475 2.055 20 30 EEEDRP C[NH+](C)CCCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173420871 797418677 /nfs/dbraw/zinc/41/86/77/797418677.db2.gz HVRFAEOFFUXICI-UHFFFAOYSA-N 2 0 328.460 2.094 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860254 797430800 /nfs/dbraw/zinc/43/08/00/797430800.db2.gz PYRKLNAOMCLZAX-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC001173421642 797441055 /nfs/dbraw/zinc/44/10/55/797441055.db2.gz ZLDWOKFMFVBFHL-UHFFFAOYSA-N 2 0 340.471 2.238 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255807 797515089 /nfs/dbraw/zinc/51/50/89/797515089.db2.gz FHISRFZIHGQRQJ-SJORKVTESA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649794 797834696 /nfs/dbraw/zinc/83/46/96/797834696.db2.gz JUIQYLTVRZGSGH-KRWDZBQOSA-N 2 0 339.524 2.328 20 30 EEEDRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001175218763 798036339 /nfs/dbraw/zinc/03/63/39/798036339.db2.gz WEJOFJKKHKCZTN-QZTJIDSGSA-N 2 0 339.524 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)Cl)CC1 ZINC001176747206 798547451 /nfs/dbraw/zinc/54/74/51/798547451.db2.gz VIBMMXVOTIJCHO-INIZCTEOSA-N 2 0 339.911 2.349 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccccc2Cl)CC1 ZINC001176926676 798631177 /nfs/dbraw/zinc/63/11/77/798631177.db2.gz SMCALHUOSSFSLH-UHFFFAOYSA-N 2 0 347.890 2.281 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001177356960 798907750 /nfs/dbraw/zinc/90/77/50/798907750.db2.gz QCDJTKIKYNRNDR-UHFFFAOYSA-N 2 0 331.504 2.247 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2cncn2C1 ZINC001085250356 800287424 /nfs/dbraw/zinc/28/74/24/800287424.db2.gz QQLNPVMOFCUTLP-NUEKZKHPSA-N 2 0 336.867 2.215 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CC)[C@@H]2C)CC1 ZINC001180204615 800309162 /nfs/dbraw/zinc/30/91/62/800309162.db2.gz VVMZHNUYHFNUAD-XZJTZLQGSA-N 2 0 331.504 2.267 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)c1 ZINC001085422715 800481889 /nfs/dbraw/zinc/48/18/89/800481889.db2.gz DATYYAWWYNISAQ-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183825760 801776119 /nfs/dbraw/zinc/77/61/19/801776119.db2.gz BZBXEDRJMMTNHO-MRXNPFEDSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986993 801839979 /nfs/dbraw/zinc/83/99/79/801839979.db2.gz REINRHIMKNAAIK-IBGZPJMESA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001184787324 802187803 /nfs/dbraw/zinc/18/78/03/802187803.db2.gz AYXYSPVLNBNRHH-HOTGVXAUSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004487766 802192251 /nfs/dbraw/zinc/19/22/51/802192251.db2.gz FXHIEXHUZDLNIY-LJQANCHMSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482749 802204577 /nfs/dbraw/zinc/20/45/77/802204577.db2.gz ROBKANIJPGUDAE-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004522723 802286122 /nfs/dbraw/zinc/28/61/22/802286122.db2.gz OPGKCXNQYHBVTE-YSIASYRMSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004549378 802351509 /nfs/dbraw/zinc/35/15/09/802351509.db2.gz YOERFWNGTGKMAP-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253418 802614909 /nfs/dbraw/zinc/61/49/09/802614909.db2.gz GAQABJVSTLVGHZ-JONQDZQNSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001108716143 804385375 /nfs/dbraw/zinc/38/53/75/804385375.db2.gz JBAPNXQOUZGTLY-BQFCYCMXSA-N 2 0 328.460 2.063 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290610 810780333 /nfs/dbraw/zinc/78/03/33/810780333.db2.gz KSGFFILBBJJWTC-INDMIFKZSA-N 2 0 331.504 2.121 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415345 811603616 /nfs/dbraw/zinc/60/36/16/811603616.db2.gz FSLCKVMDDJRQNR-HOTGVXAUSA-N 2 0 347.507 2.122 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130710797 811959693 /nfs/dbraw/zinc/95/96/93/811959693.db2.gz FMMHZFBUPSCRQF-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001449036709 1094050341 /nfs/dbraw/zinc/05/03/41/1094050341.db2.gz MJOMOOOQFGEKLS-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001441198868 1094558056 /nfs/dbraw/zinc/55/80/56/1094558056.db2.gz SDRFXMFRWDTZTC-HNNXBMFYSA-N 2 0 327.900 2.488 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001495467201 1101178062 /nfs/dbraw/zinc/17/80/62/1101178062.db2.gz ROIMSMPYBDDBPS-SHTZXODSSA-N 2 0 348.516 2.479 20 30 EEEDRP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001497991076 1106746154 /nfs/dbraw/zinc/74/61/54/1106746154.db2.gz SUPHLUJQKRPURN-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480699312 1106910489 /nfs/dbraw/zinc/91/04/89/1106910489.db2.gz TWZLKYSQTDXEGM-HUUCEWRRSA-N 2 0 348.516 2.479 20 30 EEEDRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001480770229 1107082459 /nfs/dbraw/zinc/08/24/59/1107082459.db2.gz PUPJXFFIACXIJI-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001507293180 1115177214 /nfs/dbraw/zinc/17/72/14/1115177214.db2.gz PHKGVYKMFULASP-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001507293420 1115177887 /nfs/dbraw/zinc/17/78/87/1115177887.db2.gz RTABMCGZUMOGDA-PBHICJAKSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001507329853 1115195881 /nfs/dbraw/zinc/19/58/81/1115195881.db2.gz WYURFPBJWRWUBP-UONOGXRCSA-N 2 0 334.489 2.041 20 30 EEEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000092807236 529867123 /nfs/dbraw/zinc/86/71/23/529867123.db2.gz HIFIDBDZRLCCNH-UHFFFAOYSA-N 2 0 334.508 2.337 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000104160695 237084470 /nfs/dbraw/zinc/08/44/70/237084470.db2.gz GQFALBVEOAMZGB-SFHVURJKSA-N 2 0 331.508 2.302 20 30 EEEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821548 218171318 /nfs/dbraw/zinc/17/13/18/218171318.db2.gz QQSVFTGEXKNRDP-INIZCTEOSA-N 2 0 330.476 2.311 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000104181510 533551012 /nfs/dbraw/zinc/55/10/12/533551012.db2.gz IGXQTGVQTFBWNN-INIZCTEOSA-N 2 0 348.491 2.229 20 30 EEEDRP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)c(C#N)cc1[N+](=O)[O-] ZINC000343800713 161169481 /nfs/dbraw/zinc/16/94/81/161169481.db2.gz ZCXQNCVIZWLGNZ-QWHCGFSZSA-N 2 0 348.451 2.190 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074130103 462559798 /nfs/dbraw/zinc/55/97/98/462559798.db2.gz MCLKZJHDMDWDOK-QGZVFWFLSA-N 2 0 336.524 2.400 20 30 EEEDRP C[C@@](C#N)(NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000121888521 463212803 /nfs/dbraw/zinc/21/28/03/463212803.db2.gz KEYKCCDRPJLVMM-FQEVSTJZSA-N 2 0 346.519 2.383 20 30 EEEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCCSCC#N)CC2)C[C@@H](C)O1 ZINC000080628093 463339386 /nfs/dbraw/zinc/33/93/86/463339386.db2.gz PELHVBQAPLLARY-HZPDHXFCSA-N 2 0 325.522 2.454 20 30 EEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000262828325 464047805 /nfs/dbraw/zinc/04/78/05/464047805.db2.gz ZCDFUIMSUYRJLN-KRWDZBQOSA-N 2 0 328.460 2.289 20 30 EEEDRP CC[C@H](CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000264120865 464285626 /nfs/dbraw/zinc/28/56/26/464285626.db2.gz UXBXTUJZIQIYSE-MRXNPFEDSA-N 2 0 348.491 2.025 20 30 EEEDRP CCCCNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000267455452 464932894 /nfs/dbraw/zinc/93/28/94/464932894.db2.gz SSIWXSFHDMVANC-UHFFFAOYSA-N 2 0 335.471 2.172 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000359218224 465387040 /nfs/dbraw/zinc/38/70/40/465387040.db2.gz DFJUPZCAVJOZQY-WMZOPIPTSA-N 2 0 334.508 2.221 20 30 EEEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570877 468484731 /nfs/dbraw/zinc/48/47/31/468484731.db2.gz YMFARKQWEKWYKF-UZLBHIALSA-N 2 0 349.482 2.470 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000417059874 466767616 /nfs/dbraw/zinc/76/76/16/466767616.db2.gz IVDBXQIXXNNNSH-WMZOPIPTSA-N 2 0 336.524 2.454 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376744327 466929084 /nfs/dbraw/zinc/92/90/84/466929084.db2.gz SAKNAFHGZYTDJL-WMZOPIPTSA-N 2 0 334.508 2.295 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000490594220 468224033 /nfs/dbraw/zinc/22/40/33/468224033.db2.gz NMLQPSTUHBZNHF-YLJYHZDGSA-N 2 0 339.483 2.283 20 30 EEEDRP CC(C)(C[NH2+]C[C@H](O)COc1ccccc1C#N)C[NH+]1CCCC1 ZINC000600735858 468643293 /nfs/dbraw/zinc/64/32/93/468643293.db2.gz WCMIIEPPAMQGRQ-KRWDZBQOSA-N 2 0 331.460 2.010 20 30 EEEDRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595620636 468926035 /nfs/dbraw/zinc/92/60/35/468926035.db2.gz NYZHLJYYYRVIIQ-FUHWJXTLSA-N 2 0 328.460 2.031 20 30 EEEDRP N#CC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](CC#N)C3)COC2)C1 ZINC000595619826 468926563 /nfs/dbraw/zinc/92/65/63/468926563.db2.gz HDZJJHBZSMMANO-ROUUACIJSA-N 2 0 330.476 2.254 20 30 EEEDRP C=C(Br)CNC(NC1CC[NH+](C(C)C)CC1)=[NH+]CC ZINC000114089513 526425197 /nfs/dbraw/zinc/42/51/97/526425197.db2.gz CDTRNWMDZTZBEB-UHFFFAOYSA-N 2 0 331.302 2.323 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000764629686 577740373 /nfs/dbraw/zinc/74/03/73/577740373.db2.gz MQWJFQWRDDIQHA-HZPDHXFCSA-N 2 0 329.488 2.377 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC=C)CC1 ZINC000969156568 674648417 /nfs/dbraw/zinc/64/84/17/674648417.db2.gz WURFZENIEQQTTH-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C\Cl)CC1 ZINC001021469737 676118780 /nfs/dbraw/zinc/11/87/80/676118780.db2.gz JVOMUMZVECFGBX-NQWOYHEOSA-N 2 0 349.906 2.196 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021087635 675714791 /nfs/dbraw/zinc/71/47/91/675714791.db2.gz DOUQYEXSECJKDW-AAVRWANBSA-N 2 0 344.297 2.005 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972387255 678634762 /nfs/dbraw/zinc/63/47/62/678634762.db2.gz NMDOJDRQZJNRGI-HXUWFJFHSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C)c3)C2)CC1 ZINC001023127748 679135774 /nfs/dbraw/zinc/13/57/74/679135774.db2.gz CALSGYRPOUYNSY-BGYRXZFFSA-N 2 0 339.483 2.077 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604916 679410656 /nfs/dbraw/zinc/41/06/56/679410656.db2.gz UCFWAEIQWPFXBT-SXLOBPIMSA-N 2 0 341.499 2.346 20 30 EEEDRP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833414 681356474 /nfs/dbraw/zinc/35/64/74/681356474.db2.gz KHENMGUESMGZAO-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@]2(C)C1 ZINC000982555843 681641432 /nfs/dbraw/zinc/64/14/32/681641432.db2.gz FFKLMROHKSVGLM-HSALFYBXSA-N 2 0 349.494 2.003 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001025087555 682000090 /nfs/dbraw/zinc/00/00/90/682000090.db2.gz GQVZCKDFTMBIKL-PBHICJAKSA-N 2 0 348.516 2.431 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514795 682943343 /nfs/dbraw/zinc/94/33/43/682943343.db2.gz FWTDYUMTHFUGDW-JKSUJKDBSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239296 683565318 /nfs/dbraw/zinc/56/53/18/683565318.db2.gz WACRICNLQUENNY-DZKIICNBSA-N 2 0 325.884 2.383 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC000992865836 683602182 /nfs/dbraw/zinc/60/21/82/683602182.db2.gz ZRRJSCIAMGUEKN-XUVXKRRUSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]12 ZINC001026427694 684632655 /nfs/dbraw/zinc/63/26/55/684632655.db2.gz SAXNFEQHDOCHDN-GUDVDZBRSA-N 2 0 327.472 2.374 20 30 EEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001026505268 684701119 /nfs/dbraw/zinc/70/11/19/684701119.db2.gz WHTTUABVVPABJD-TVPLGVNVSA-N 2 0 349.519 2.223 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001026533992 684725641 /nfs/dbraw/zinc/72/56/41/684725641.db2.gz PKGXNJCWVXGZHJ-UHFFFAOYSA-N 2 0 327.472 2.055 20 30 EEEDRP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608715 685122901 /nfs/dbraw/zinc/12/29/01/685122901.db2.gz XXTMHKAIZWRRCH-AEFFLSMTSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001027234580 686870771 /nfs/dbraw/zinc/87/07/71/686870771.db2.gz ZRVWTWAVUWOGMW-KRWDZBQOSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991013849 694186749 /nfs/dbraw/zinc/18/67/49/694186749.db2.gz AIUAHTCBOHQBSD-CMKODMSKSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502311 1181579290 /nfs/dbraw/zinc/57/92/90/1181579290.db2.gz KVBVPPVZYSYVGU-MRXNPFEDSA-N 2 0 327.900 2.251 20 30 EEEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001105446401 1187198395 /nfs/dbraw/zinc/19/83/95/1187198395.db2.gz KJQKOUQKJLXKDM-HFSMHLIXSA-N 2 0 341.499 2.320 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755851327 1187670158 /nfs/dbraw/zinc/67/01/58/1187670158.db2.gz HTFCXYQFDWMJHN-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105557082 1188172835 /nfs/dbraw/zinc/17/28/35/1188172835.db2.gz WVIGIDBTFSFBSN-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582990 1199672519 /nfs/dbraw/zinc/67/25/19/1199672519.db2.gz CNVKFUORBAYHKH-ROUUACIJSA-N 2 0 341.499 2.395 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001133117645 1200471168 /nfs/dbraw/zinc/47/11/68/1200471168.db2.gz NCERQQRIGPFXEV-XLIONFOSSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338430 1200762227 /nfs/dbraw/zinc/76/22/27/1200762227.db2.gz VLXYWGQXNJFTLC-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001133354103 1200783704 /nfs/dbraw/zinc/78/37/04/1200783704.db2.gz MWANWVLTCGBREL-IRXDYDNUSA-N 2 0 345.487 2.442 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001133392738 1200851077 /nfs/dbraw/zinc/85/10/77/1200851077.db2.gz KXQCHBBMKZZMIC-SFHVURJKSA-N 2 0 347.890 2.376 20 30 EEEDRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001006407983 1202516270 /nfs/dbraw/zinc/51/62/70/1202516270.db2.gz PTNSQSIPLVPPHY-UHFFFAOYSA-N 2 0 346.500 2.138 20 30 EEEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C[C@@H]4CCOC4)(C2)CCC3)cc1C#N ZINC001275172887 1205273635 /nfs/dbraw/zinc/27/36/35/1205273635.db2.gz XSGSULDYBGQPRQ-DBVUQKKJSA-N 2 0 342.487 2.458 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001275312488 1205306246 /nfs/dbraw/zinc/30/62/46/1205306246.db2.gz UVIRKJDFELEHFL-WBVHZDCISA-N 2 0 332.879 2.279 20 30 EEEDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001275828912 1205553974 /nfs/dbraw/zinc/55/39/74/1205553974.db2.gz LZQKJRDXLXLQRB-FQEVSTJZSA-N 2 0 326.488 2.408 20 30 EEEDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275965779 1205606121 /nfs/dbraw/zinc/60/61/21/1205606121.db2.gz QVZSALKTNNMJQY-BGYRXZFFSA-N 2 0 343.471 2.323 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001095556484 1205873112 /nfs/dbraw/zinc/87/31/12/1205873112.db2.gz UDOLEVQSRMSCEG-FYQPLNBISA-N 2 0 341.499 2.306 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111096902 1208166972 /nfs/dbraw/zinc/16/69/72/1208166972.db2.gz CBTJARYJBACQMJ-MKXGPGLRSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056882 1208846901 /nfs/dbraw/zinc/84/69/01/1208846901.db2.gz NKEPJYHPBIYIFS-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)[C@H](C)C2)CC1 ZINC000948070699 1208854351 /nfs/dbraw/zinc/85/43/51/1208854351.db2.gz RHDXROGRYHQFOZ-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCc3ccccc3[C@@H]2C[NH2+]CC)CC1 ZINC000958809058 1213847827 /nfs/dbraw/zinc/84/78/27/1213847827.db2.gz AKVYKMPPDSNYIM-FQEVSTJZSA-N 2 0 339.483 2.067 20 30 EEEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000303873572 1213915759 /nfs/dbraw/zinc/91/57/59/1213915759.db2.gz CNOOWOGTICTPFB-SFHVURJKSA-N 2 0 343.519 2.245 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957626632 1215269560 /nfs/dbraw/zinc/26/95/60/1215269560.db2.gz ZCRMIGADVDENLT-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633866 1215278471 /nfs/dbraw/zinc/27/84/71/1215278471.db2.gz RUECWRLZIKTJAW-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000304763660 1216105269 /nfs/dbraw/zinc/10/52/69/1216105269.db2.gz XBWOYEUHITYNDZ-UHFFFAOYSA-N 2 0 337.899 2.165 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000961364903 1217159263 /nfs/dbraw/zinc/15/92/63/1217159263.db2.gz BDOFTKOLAABZSG-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173036 1230398484 /nfs/dbraw/zinc/39/84/84/1230398484.db2.gz LOAOKSSQEZTAGE-KRWDZBQOSA-N 2 0 339.911 2.395 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239782 1230473727 /nfs/dbraw/zinc/47/37/27/1230473727.db2.gz SGZOSDDJBKEUPI-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039249565 1230485937 /nfs/dbraw/zinc/48/59/37/1230485937.db2.gz CADDMEAYNSHBBB-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)CC1 ZINC001040542378 1231284221 /nfs/dbraw/zinc/28/42/21/1231284221.db2.gz HSDIXHRWJFDNRM-NRFANRHFSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348182 1231514594 /nfs/dbraw/zinc/51/45/94/1231514594.db2.gz GYKVRTJEBJQVGT-ICSRJNTNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845922 1231728997 /nfs/dbraw/zinc/72/89/97/1231728997.db2.gz RVXLSXJXFGDVOM-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369662 1232051124 /nfs/dbraw/zinc/05/11/24/1232051124.db2.gz ZSBQUERLZZMATF-XLIONFOSSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001044879132 1233338570 /nfs/dbraw/zinc/33/85/70/1233338570.db2.gz OANIDWJANMKMFE-HOTGVXAUSA-N 2 0 331.460 2.337 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960199 1234234344 /nfs/dbraw/zinc/23/43/44/1234234344.db2.gz GFQUTRJVDIEQIH-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263225 1235772695 /nfs/dbraw/zinc/77/26/95/1235772695.db2.gz CBLUHLNCZGKWQM-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527695 1237871592 /nfs/dbraw/zinc/87/15/92/1237871592.db2.gz RXIDVQMHPKTONO-RDGPPVDQSA-N 2 0 331.504 2.242 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885387 1239135475 /nfs/dbraw/zinc/13/54/75/1239135475.db2.gz RFBNWQNRRVDZSP-IYBDPMFKSA-N 2 0 337.895 2.005 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048960365 1239580655 /nfs/dbraw/zinc/58/06/55/1239580655.db2.gz YRCCANDYNRLMCU-BBWFWOEESA-N 2 0 337.895 2.004 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000154970 1240005538 /nfs/dbraw/zinc/00/55/38/1240005538.db2.gz QCMNSFQISDFBDM-MJGOQNOKSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001000991974 1241397900 /nfs/dbraw/zinc/39/79/00/1241397900.db2.gz KXBLDYDBVMLLAE-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001001478167 1242348064 /nfs/dbraw/zinc/34/80/64/1242348064.db2.gz YBDVXJAIQCSFBV-IBGZPJMESA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(=C)C)CC1 ZINC001049909353 1242655585 /nfs/dbraw/zinc/65/55/85/1242655585.db2.gz AHDSYULJNQZMFQ-UXHICEINSA-N 2 0 343.515 2.363 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050066361 1242765589 /nfs/dbraw/zinc/76/55/89/1242765589.db2.gz ICXAZMONUUMJFG-GBESFXJTSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001050762299 1244311264 /nfs/dbraw/zinc/31/12/64/1244311264.db2.gz DNIPLOVLDOSGJR-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)CC1 ZINC001052953730 1245545363 /nfs/dbraw/zinc/54/53/63/1245545363.db2.gz GYEMCFGGASEOEO-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027609 1245705474 /nfs/dbraw/zinc/70/54/74/1245705474.db2.gz FKUAVYBORIJJST-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029940 1245715244 /nfs/dbraw/zinc/71/52/44/1245715244.db2.gz YRGPFMKQOIWGST-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095197 1245891409 /nfs/dbraw/zinc/89/14/09/1245891409.db2.gz IHDCOURIWPIHRN-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129269 1247471295 /nfs/dbraw/zinc/47/12/95/1247471295.db2.gz NWBRKAQTJOUZCS-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219682 1247751922 /nfs/dbraw/zinc/75/19/22/1247751922.db2.gz SDZHZPDMIQECAH-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CCC)C3)C2)CC1 ZINC001054245292 1247860096 /nfs/dbraw/zinc/86/00/96/1247860096.db2.gz QSCHNQPIWYBMKG-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676999 1254498436 /nfs/dbraw/zinc/49/84/36/1254498436.db2.gz QOCFDKVTZVJGFM-CVEARBPZSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCCC1 ZINC001099552972 1258201100 /nfs/dbraw/zinc/20/11/00/1258201100.db2.gz QJNUWGQPVHFNII-YRPNKDGESA-N 2 0 343.515 2.055 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001100901950 1259414376 /nfs/dbraw/zinc/41/43/76/1259414376.db2.gz XAFNROHNBVVQAT-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001100901881 1259414771 /nfs/dbraw/zinc/41/47/71/1259414771.db2.gz SMOGOBNAZGMKKZ-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709638 1278760461 /nfs/dbraw/zinc/76/04/61/1278760461.db2.gz KNEQIJHXVZLXEB-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP C[N@@H+]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001186365179 1279069575 /nfs/dbraw/zinc/06/95/75/1279069575.db2.gz ZWUPWVSITJRWIJ-SFHVURJKSA-N 2 0 340.471 2.003 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717737 1293719564 /nfs/dbraw/zinc/71/95/64/1293719564.db2.gz FOYRHYPJYKEBKE-KURKYZTESA-N 2 0 349.519 2.033 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCOC2)cc1C#N ZINC001276718787 1296758923 /nfs/dbraw/zinc/75/89/23/1296758923.db2.gz KXUIQABCPHICBJ-BPIHKTFHSA-N 2 0 342.487 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001216842809 1297312186 /nfs/dbraw/zinc/31/21/86/1297312186.db2.gz MNVGVFZCUJGJSU-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098874867 1298732785 /nfs/dbraw/zinc/73/27/85/1298732785.db2.gz ILOADAPOMUCYKF-BJLQDIEVSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491155687 1299640589 /nfs/dbraw/zinc/64/05/89/1299640589.db2.gz FFIBYFYXGNGURR-OAHLLOKOSA-N 2 0 325.884 2.196 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001228640536 1302351703 /nfs/dbraw/zinc/35/17/03/1302351703.db2.gz ZDSBUNDDMZHQKI-WOJBJXKFSA-N 2 0 341.499 2.201 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228646256 1302357309 /nfs/dbraw/zinc/35/73/09/1302357309.db2.gz BZXUISXNWGPZOW-MCIONIFRSA-N 2 0 346.313 2.252 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001231975873 1303963019 /nfs/dbraw/zinc/96/30/19/1303963019.db2.gz WAADIGVLTMHESY-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112120371 1304257736 /nfs/dbraw/zinc/25/77/36/1304257736.db2.gz QCLBHVXTTWKMKC-MGPQQGTHSA-N 2 0 335.414 2.272 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166412 1304290483 /nfs/dbraw/zinc/29/04/83/1304290483.db2.gz SHRCVSMVAVUDIB-RRFJBIMHSA-N 2 0 347.425 2.416 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115573926 1305400673 /nfs/dbraw/zinc/40/06/73/1305400673.db2.gz YMXKGTDTDUKUOR-GOSISDBHSA-N 2 0 331.504 2.435 20 30 EEEDRP N#Cc1cc(-c2cccc(N3CCC([NH3+])CC3)n2)cc(C2C[NH2+]C2)c1 ZINC001240342990 1309308658 /nfs/dbraw/zinc/30/86/58/1309308658.db2.gz GHCOSRVGSZTDEY-UHFFFAOYSA-N 2 0 333.439 2.235 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](c2cccnc2)N(C)C)CCCCC1 ZINC001120213300 1309387133 /nfs/dbraw/zinc/38/71/33/1309387133.db2.gz IJBQCBIHVFQUIJ-GOSISDBHSA-N 2 0 342.487 2.116 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121112769 1309919051 /nfs/dbraw/zinc/91/90/51/1309919051.db2.gz XYVOFZNZIPDIJH-UHFFFAOYSA-N 2 0 331.504 2.291 20 30 EEEDRP N#Cc1c2c(cnc1C1=CC[C@@H]([NH+]3CCOCC3)CC1)C[NH2+]CCC2 ZINC001245417960 1310094990 /nfs/dbraw/zinc/09/49/90/1310094990.db2.gz FARWPVGDYUEGCQ-QGZVFWFLSA-N 2 0 338.455 2.257 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122575 1315666164 /nfs/dbraw/zinc/66/61/64/1315666164.db2.gz GVGSDOQARJTTPB-ROUUACIJSA-N 2 0 336.439 2.297 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001149818210 1316055912 /nfs/dbraw/zinc/05/59/12/1316055912.db2.gz QLAPEZIYFQVZOE-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001149881428 1316077414 /nfs/dbraw/zinc/07/74/14/1316077414.db2.gz NPYLWNMJBVYXEX-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240097 1316211961 /nfs/dbraw/zinc/21/19/61/1316211961.db2.gz BOAVSYZRVVVQPI-QGZVFWFLSA-N 2 0 327.513 2.116 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854661 1316900996 /nfs/dbraw/zinc/90/09/96/1316900996.db2.gz OKFYINVHTMHGAO-CQSZACIVSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001153998133 1316933171 /nfs/dbraw/zinc/93/31/71/1316933171.db2.gz JUUBDZQNESQIOS-RDTXWAMCSA-N 2 0 348.466 2.364 20 30 EEEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552425 1317633929 /nfs/dbraw/zinc/63/39/29/1317633929.db2.gz JSJCVDSBNIMDAW-OALUTQOASA-N 2 0 345.487 2.074 20 30 EEEDRP N#C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663485 1318160937 /nfs/dbraw/zinc/16/09/37/1318160937.db2.gz CBTMYJVYKKKBEU-OJAHFUOMSA-N 2 0 340.471 2.297 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112860 1318416089 /nfs/dbraw/zinc/41/60/89/1318416089.db2.gz BBLQMNYIYGDHBR-MRXNPFEDSA-N 2 0 330.476 2.225 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC001157971218 1318954538 /nfs/dbraw/zinc/95/45/38/1318954538.db2.gz WBULMOJRIJBGNO-MOPGFXCFSA-N 2 0 334.423 2.121 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287782 1319145178 /nfs/dbraw/zinc/14/51/78/1319145178.db2.gz JXNWGKJMAVFWEP-UHFFFAOYSA-N 2 0 337.512 2.125 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001160491901 1320175253 /nfs/dbraw/zinc/17/52/53/1320175253.db2.gz KSHCDOGLDFHYJE-UHFFFAOYSA-N 2 0 349.519 2.059 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879609 1320658787 /nfs/dbraw/zinc/65/87/87/1320658787.db2.gz QOQQTOFGXVBOGQ-GOSISDBHSA-N 2 0 349.519 2.059 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001162832366 1320970325 /nfs/dbraw/zinc/97/03/25/1320970325.db2.gz PSPCXELHIGSBRB-UHFFFAOYSA-N 2 0 341.499 2.155 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001162982839 1321004230 /nfs/dbraw/zinc/00/42/30/1321004230.db2.gz REHBWHUGWXLXPB-HXUWFJFHSA-N 2 0 341.499 2.012 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242953 1322329268 /nfs/dbraw/zinc/32/92/68/1322329268.db2.gz XCXFCTBHGPYAAM-INIZCTEOSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205446248 1323137882 /nfs/dbraw/zinc/13/78/82/1323137882.db2.gz YKBREIADGSLAAI-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC=C(C)C)CC2)CC1 ZINC001206949326 1323735075 /nfs/dbraw/zinc/73/50/75/1323735075.db2.gz ZLNVOMCOOCOYHC-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](CCCc3cccc(C#N)c3)CC2)CC1 ZINC001208852322 1324691553 /nfs/dbraw/zinc/69/15/53/1324691553.db2.gz FYZQSNSAEZKMPU-UHFFFAOYSA-N 2 0 326.488 2.203 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001209447059 1324933965 /nfs/dbraw/zinc/93/39/65/1324933965.db2.gz WPQGLMGFARRORV-KRWDZBQOSA-N 2 0 347.890 2.224 20 30 EEEDRP COc1cc(C#N)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1OC ZINC001210267249 1325222636 /nfs/dbraw/zinc/22/26/36/1325222636.db2.gz YVKBZMMACIIDMG-UHFFFAOYSA-N 2 0 339.399 2.124 20 30 EEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001332078645 1335721794 /nfs/dbraw/zinc/72/17/94/1335721794.db2.gz ZSNGQLJRLQIOLJ-SJORKVTESA-N 2 0 348.878 2.379 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001335385392 1336369421 /nfs/dbraw/zinc/36/94/21/1336369421.db2.gz ZJSWJVHZLSFMCW-IEBWSBKVSA-N 2 0 345.487 2.346 20 30 EEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001100349028 1338294141 /nfs/dbraw/zinc/29/41/41/1338294141.db2.gz OULBHCYDYIYVNP-JMLCCBQJSA-N 2 0 345.491 2.241 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001576048840 1343954437 /nfs/dbraw/zinc/95/44/37/1343954437.db2.gz AFPYTLXSAMECQX-HNNXBMFYSA-N 2 0 349.438 2.180 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147996 1368881131 /nfs/dbraw/zinc/88/11/31/1368881131.db2.gz PDIGFYVMTXCEES-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202497 1371156579 /nfs/dbraw/zinc/15/65/79/1371156579.db2.gz CYARGDPIXAIGRW-BHIYHBOVSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001121233024 1371865089 /nfs/dbraw/zinc/86/50/89/1371865089.db2.gz LSWMQMXWFUKUHM-JDKNDNFBSA-N 2 0 343.515 2.434 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCCO1 ZINC001200510721 1373042902 /nfs/dbraw/zinc/04/29/02/1373042902.db2.gz SFBYTAVFNKYWPF-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001100442445 1373042963 /nfs/dbraw/zinc/04/29/63/1373042963.db2.gz IFOMKBSERHVXGP-JFUPDXTOSA-N 2 0 346.450 2.022 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001367400286 1374157694 /nfs/dbraw/zinc/15/76/94/1374157694.db2.gz MTCRSJAVJJEGEK-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001375520347 1377811376 /nfs/dbraw/zinc/81/13/76/1377811376.db2.gz XKNKKLCBOZORND-CEXWTWQISA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001376377311 1378497036 /nfs/dbraw/zinc/49/70/36/1378497036.db2.gz KVRYPAJOTPPDAQ-MUJYYYPQSA-N 2 0 339.911 2.440 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001376606851 1378625597 /nfs/dbraw/zinc/62/55/97/1378625597.db2.gz DURNWEZNKOZVMS-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001378275624 1379836375 /nfs/dbraw/zinc/83/63/75/1379836375.db2.gz SUDIASOOYIOTEU-AWEZNQCLSA-N 2 0 346.500 2.233 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361678 1382086396 /nfs/dbraw/zinc/08/63/96/1382086396.db2.gz QIWYQKDCTPFWIM-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391111382 1389042635 /nfs/dbraw/zinc/04/26/35/1389042635.db2.gz MFLXIPOPMLVUSP-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789260 1390543298 /nfs/dbraw/zinc/54/32/98/1390543298.db2.gz RDHWLUUFYBBDKO-CABCVRRESA-N 2 0 348.516 2.431 20 30 EEEDRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001400813943 1396607301 /nfs/dbraw/zinc/60/73/01/1396607301.db2.gz OTLURTFAWMNTDD-MRXNPFEDSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001400841007 1396647330 /nfs/dbraw/zinc/64/73/30/1396647330.db2.gz AWBUZQVDZFAPOP-RDJZCZTQSA-N 2 0 334.439 2.022 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001402468737 1398007995 /nfs/dbraw/zinc/00/79/95/1398007995.db2.gz YMZUKFRGFZZBIB-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001402790441 1398200363 /nfs/dbraw/zinc/20/03/63/1398200363.db2.gz MOOSFMDAMOFJNN-QAPCUYQASA-N 2 0 349.906 2.350 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001755010487 1407030711 /nfs/dbraw/zinc/03/07/11/1407030711.db2.gz FJAMHMNGIOJFDT-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001755055782 1407063370 /nfs/dbraw/zinc/06/33/70/1407063370.db2.gz OEZWPIMNCXZTAX-SJORKVTESA-N 2 0 349.519 2.033 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001422999843 1400339343 /nfs/dbraw/zinc/33/93/43/1400339343.db2.gz XPHRLCQWARBJSO-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001755463235 1407497284 /nfs/dbraw/zinc/49/72/84/1407497284.db2.gz JENHGONKVWJISY-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840953 782352136 /nfs/dbraw/zinc/35/21/36/782352136.db2.gz WOWZIJCIAAZZNL-RBUKOAKNSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001075418076 759633729 /nfs/dbraw/zinc/63/37/29/759633729.db2.gz WOMNFNIEBSYUCF-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530879 782633348 /nfs/dbraw/zinc/63/33/48/782633348.db2.gz XTNCBJMLOHRCRV-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980080092 773833358 /nfs/dbraw/zinc/83/33/58/773833358.db2.gz AJQWNFQRXGETMH-OKZBNKHCSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885975 774001809 /nfs/dbraw/zinc/00/18/09/774001809.db2.gz LVHPGQRBDNTFAL-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220282 774134721 /nfs/dbraw/zinc/13/47/21/774134721.db2.gz ZBOPNKNEBYHGBL-ULQDDVLXSA-N 2 0 340.471 2.001 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC000981365186 777259088 /nfs/dbraw/zinc/25/90/88/777259088.db2.gz JRMYIBDFMYOMJB-QUCCMNQESA-N 2 0 339.483 2.380 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831721 777326218 /nfs/dbraw/zinc/32/62/18/777326218.db2.gz OIXCRWZIBAWZHW-MANSERQUSA-N 2 0 343.515 2.360 20 30 EEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028152283 778516446 /nfs/dbraw/zinc/51/64/46/778516446.db2.gz QWHQCYSGERVCPG-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914426 778545039 /nfs/dbraw/zinc/54/50/39/778545039.db2.gz KQPMUBARLCEMQJ-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001028333170 780772436 /nfs/dbraw/zinc/77/24/36/780772436.db2.gz FGDMVZNIPIKZAH-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035227130 784114986 /nfs/dbraw/zinc/11/49/86/784114986.db2.gz OMHMCMOSHZKKBM-QZTJIDSGSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233480 784146020 /nfs/dbraw/zinc/14/60/20/784146020.db2.gz FDVTZJUPQDKLSN-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858089 784640948 /nfs/dbraw/zinc/64/09/48/784640948.db2.gz SGFWSEGWPBMIGM-IRXDYDNUSA-N 2 0 347.478 2.392 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980919 784907233 /nfs/dbraw/zinc/90/72/33/784907233.db2.gz UXGPNSBFDXHKSR-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000996302207 786240626 /nfs/dbraw/zinc/24/06/26/786240626.db2.gz WWGUSVKKICDSLK-GOSISDBHSA-N 2 0 329.488 2.417 20 30 EEEDRP N#Cc1cncc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001144080247 789219564 /nfs/dbraw/zinc/21/95/64/789219564.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 0 333.439 2.302 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923348363 789411374 /nfs/dbraw/zinc/41/13/74/789411374.db2.gz FDSYRCWLFUQICX-MSOLQXFVSA-N 2 0 348.487 2.224 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901694 789563691 /nfs/dbraw/zinc/56/36/91/789563691.db2.gz BQSUMVNSJNPVAC-KDURUIRLSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CC(C)C)CC2)CC1 ZINC000997434393 789904149 /nfs/dbraw/zinc/90/41/49/789904149.db2.gz MUMKEBTWOBLCPH-QGZVFWFLSA-N 2 0 333.520 2.204 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146339158 791174053 /nfs/dbraw/zinc/17/40/53/791174053.db2.gz JYJYQCWMDWJRMF-JKSUJKDBSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099902 791953796 /nfs/dbraw/zinc/95/37/96/791953796.db2.gz VBYLMPKBBBBRCP-FHWLQOOXSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070645 792077092 /nfs/dbraw/zinc/07/70/92/792077092.db2.gz QAQZXKZOZXBUGK-WBVHZDCISA-N 2 0 331.460 2.337 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677203 792148306 /nfs/dbraw/zinc/14/83/06/792148306.db2.gz MCKZAJYPBDSDRK-HBFSDRIKSA-N 2 0 331.504 2.075 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998189156 792173799 /nfs/dbraw/zinc/17/37/99/792173799.db2.gz LXOKDTHPDCADMO-HOTGVXAUSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992169869 793025252 /nfs/dbraw/zinc/02/52/52/793025252.db2.gz SLCIUPJJSBFLJH-PZJWPPBQSA-N 2 0 339.483 2.151 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927926 793051933 /nfs/dbraw/zinc/05/19/33/793051933.db2.gz QQSTVHSGNRBVRM-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992297661 793563378 /nfs/dbraw/zinc/56/33/78/793563378.db2.gz JQWOHYJMAUPVAG-WSTZPKSXSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364981 793822099 /nfs/dbraw/zinc/82/20/99/793822099.db2.gz BNSOKQJIANWQNG-QUCCMNQESA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC[C@H](C)F)CC3)CC1 ZINC000992515700 794472794 /nfs/dbraw/zinc/47/27/94/794472794.db2.gz ZRBOVTSSPVUSCD-HQRMLTQVSA-N 2 0 349.494 2.193 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755365 794785832 /nfs/dbraw/zinc/78/58/32/794785832.db2.gz VMEZZLVWHGFBBD-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCC1 ZINC001127322149 795399976 /nfs/dbraw/zinc/39/99/76/795399976.db2.gz LLBYVMFDGJAQKL-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001106461664 795642950 /nfs/dbraw/zinc/64/29/50/795642950.db2.gz ILAUKVYMZYMOPJ-BRWVUGGUSA-N 2 0 332.492 2.392 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)[NH+](C)C ZINC001094049494 795892965 /nfs/dbraw/zinc/89/29/65/795892965.db2.gz WHUFHNFLBYTMDT-CPUCHLNUSA-N 2 0 348.516 2.144 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415700 796204195 /nfs/dbraw/zinc/20/41/95/796204195.db2.gz ZNMURSAVPMUZBB-QWFCFKBJSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC3CC3)C2)CC1 ZINC001036901955 796439150 /nfs/dbraw/zinc/43/91/50/796439150.db2.gz BILSPAHDJSIFLR-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001081173789 796669218 /nfs/dbraw/zinc/66/92/18/796669218.db2.gz NGSGEFLBLHYBMZ-RBUKOAKNSA-N 2 0 327.472 2.098 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078777721 796975142 /nfs/dbraw/zinc/97/51/42/796975142.db2.gz WPFAURWDXMMNJA-ROUUACIJSA-N 2 0 331.504 2.311 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803356 797030585 /nfs/dbraw/zinc/03/05/85/797030585.db2.gz IUQOZABYFFRFBN-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704502 797387809 /nfs/dbraw/zinc/38/78/09/797387809.db2.gz AEYIEFGRNHZDMV-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462170 798043449 /nfs/dbraw/zinc/04/34/49/798043449.db2.gz KNRQMJRUEARQOJ-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175295138 798050852 /nfs/dbraw/zinc/05/08/52/798050852.db2.gz BZWAOXDVINQGGY-LJQANCHMSA-N 2 0 343.515 2.449 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382772 798286999 /nfs/dbraw/zinc/28/69/99/798286999.db2.gz UXUMLSLOZONBQF-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753053 798568722 /nfs/dbraw/zinc/56/87/22/798568722.db2.gz CNDZAMIJGHZNIQ-CQSZACIVSA-N 2 0 348.329 2.500 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001176926416 798631225 /nfs/dbraw/zinc/63/12/25/798631225.db2.gz LIDKUTHXEUHYSO-SFHVURJKSA-N 2 0 341.499 2.497 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001112585416 806706259 /nfs/dbraw/zinc/70/62/59/806706259.db2.gz WTWNNHXINIXQKY-RXVVDRJESA-N 2 0 339.483 2.213 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492313 799728366 /nfs/dbraw/zinc/72/83/66/799728366.db2.gz GEDXXFTZMGMQPN-IBGZPJMESA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001180360836 800378258 /nfs/dbraw/zinc/37/82/58/800378258.db2.gz NFTOLNFMYXZOHM-QGZVFWFLSA-N 2 0 339.499 2.346 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001180331370 800382947 /nfs/dbraw/zinc/38/29/47/800382947.db2.gz IRMTZLVDTWDURL-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001180331372 800383026 /nfs/dbraw/zinc/38/30/26/800383026.db2.gz IRMTZLVDTWDURL-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001181476972 800813357 /nfs/dbraw/zinc/81/33/57/800813357.db2.gz PPSPYGMVGFVZGE-YVWKXTFCSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001183510275 801632757 /nfs/dbraw/zinc/63/27/57/801632757.db2.gz RXGWOBVXPYPMGM-OXQOHEQNSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584936 802423466 /nfs/dbraw/zinc/42/34/66/802423466.db2.gz CMSDSPCDMDZXHF-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946645001 802576681 /nfs/dbraw/zinc/57/66/81/802576681.db2.gz MGOOKKRTJZFHLX-BBWFWOEESA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735084 802944792 /nfs/dbraw/zinc/94/47/92/802944792.db2.gz GJCUNESQTZAGGU-CADBVGFASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108732800 804418353 /nfs/dbraw/zinc/41/83/53/804418353.db2.gz CQRSEEHLVXLBIY-SCTDSRPQSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001440120477 1093181897 /nfs/dbraw/zinc/18/18/97/1093181897.db2.gz UXFFFUAXCGJEDM-LSDHHAIUSA-N 2 0 325.884 2.194 20 30 EEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001440121039 1093182094 /nfs/dbraw/zinc/18/20/94/1093182094.db2.gz NBVRARMCPVYALB-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001441460158 1095112491 /nfs/dbraw/zinc/11/24/91/1095112491.db2.gz LVETXGQOOCZLDN-INIZCTEOSA-N 2 0 327.900 2.297 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001441828503 1095881768 /nfs/dbraw/zinc/88/17/68/1095881768.db2.gz RXJYNXDCNHFQIK-XJKSGUPXSA-N 2 0 334.489 2.041 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001446565500 1101048808 /nfs/dbraw/zinc/04/88/08/1101048808.db2.gz QQQHVRSWKFFZNZ-FQEVSTJZSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506935751 1114986210 /nfs/dbraw/zinc/98/62/10/1114986210.db2.gz MEFYZVHNNDBMPW-ICSRJNTNSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821549 218172601 /nfs/dbraw/zinc/17/26/01/218172601.db2.gz QQSVFTGEXKNRDP-MRXNPFEDSA-N 2 0 330.476 2.311 20 30 EEEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191280193 152246265 /nfs/dbraw/zinc/24/62/65/152246265.db2.gz RYXULQKGNLPZKH-IYBDPMFKSA-N 2 0 330.476 2.218 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177703893 311437280 /nfs/dbraw/zinc/43/72/80/311437280.db2.gz GUXYUTICQRAFLU-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698344 782088295 /nfs/dbraw/zinc/08/82/95/782088295.db2.gz SLJNIGSSXONHQJ-OTWHNJEPSA-N 2 0 331.504 2.386 20 30 EEEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000339050606 465052709 /nfs/dbraw/zinc/05/27/09/465052709.db2.gz RKEILLOJVQFEIY-MJGOQNOKSA-N 2 0 346.519 2.383 20 30 EEEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000156613885 463048228 /nfs/dbraw/zinc/04/82/28/463048228.db2.gz ZFYJATIMTSPMJH-HXUWFJFHSA-N 2 0 343.471 2.168 20 30 EEEDRP C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161327480 463421167 /nfs/dbraw/zinc/42/11/67/463421167.db2.gz NNZBPZLLAWBFGT-HNNXBMFYSA-N 2 0 335.411 2.102 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290753899 464130542 /nfs/dbraw/zinc/13/05/42/464130542.db2.gz YNPGCVBYSPOXNG-FUHWJXTLSA-N 2 0 332.492 2.228 20 30 EEEDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181491279 464496577 /nfs/dbraw/zinc/49/65/77/464496577.db2.gz YWCHDTKEXBINFE-KRWDZBQOSA-N 2 0 330.476 2.267 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000275168890 464766058 /nfs/dbraw/zinc/76/60/58/464766058.db2.gz BSTZHSXTXNLRNQ-QZTJIDSGSA-N 2 0 336.524 2.278 20 30 EEEDRP Cc1nc([C@@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000329478352 465346753 /nfs/dbraw/zinc/34/67/53/465346753.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 0 348.495 2.122 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424147776 466990884 /nfs/dbraw/zinc/99/08/84/466990884.db2.gz SEROXRMZAVPQEB-NXHRZFHOSA-N 2 0 328.460 2.034 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000424164041 466994347 /nfs/dbraw/zinc/99/43/47/466994347.db2.gz WGAFKTPVULUHKU-QYZOEREBSA-N 2 0 342.487 2.206 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000449745518 467705102 /nfs/dbraw/zinc/70/51/02/467705102.db2.gz NPOBQZPWOPHBEP-UHFFFAOYSA-N 2 0 330.476 2.073 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021193 782133629 /nfs/dbraw/zinc/13/36/29/782133629.db2.gz CJQJHEFCICIIPV-UXHICEINSA-N 2 0 339.483 2.151 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000371042521 526586430 /nfs/dbraw/zinc/58/64/30/526586430.db2.gz JCRUZTXVVVFSMO-SFHVURJKSA-N 2 0 348.535 2.400 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000106276026 526588495 /nfs/dbraw/zinc/58/84/95/526588495.db2.gz NNJHYSUXAXQZCL-UHFFFAOYSA-N 2 0 336.524 2.448 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000113319838 526744024 /nfs/dbraw/zinc/74/40/24/526744024.db2.gz LMJXRNIXFPSENC-NRFANRHFSA-N 2 0 343.515 2.450 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+]1CC ZINC000764623164 577740223 /nfs/dbraw/zinc/74/02/23/577740223.db2.gz HOAVYZYBBUKJSB-SFHVURJKSA-N 2 0 345.487 2.323 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000764629687 577740375 /nfs/dbraw/zinc/74/03/75/577740375.db2.gz MQWJFQWRDDIQHA-MNZLEMJZSA-N 2 0 329.488 2.377 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969213769 674709917 /nfs/dbraw/zinc/70/99/17/674709917.db2.gz NXJXQZKNLWFCIS-CYBMUJFWSA-N 2 0 349.232 2.047 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969353002 674876546 /nfs/dbraw/zinc/87/65/46/674876546.db2.gz LTMFOWUBUHYIEN-GOSISDBHSA-N 2 0 345.406 2.210 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021090838 675716516 /nfs/dbraw/zinc/71/65/16/675716516.db2.gz LSRMDYWIXZKXJR-OHDICMOHSA-N 2 0 340.471 2.168 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888868 679672534 /nfs/dbraw/zinc/67/25/34/679672534.db2.gz FBRKBHIQSXPHAG-WMLDXEAASA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739784 676398185 /nfs/dbraw/zinc/39/81/85/676398185.db2.gz NDNUGGUZKVJMEK-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)CCC1 ZINC000971679812 676735372 /nfs/dbraw/zinc/73/53/72/676735372.db2.gz VLOYNUPUEHURLQ-CQSZACIVSA-N 2 0 346.500 2.137 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982491124 681247425 /nfs/dbraw/zinc/24/74/25/681247425.db2.gz DWOOUIMEZSSLBG-BGYRXZFFSA-N 2 0 343.471 2.149 20 30 EEEDRP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024660163 681323445 /nfs/dbraw/zinc/32/34/45/681323445.db2.gz JZHQDNJPLLFNIG-GVDBMIGSSA-N 2 0 330.476 2.461 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261865187 681870580 /nfs/dbraw/zinc/87/05/80/681870580.db2.gz YZJBMJNDTVVBCD-MCIONIFRSA-N 2 0 334.430 2.472 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724892 682110532 /nfs/dbraw/zinc/11/05/32/682110532.db2.gz FYLRJLLBODTXTB-BWPNAZKDSA-N 2 0 333.520 2.463 20 30 EEEDRP C[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262012291 682840758 /nfs/dbraw/zinc/84/07/58/682840758.db2.gz WWVYAGMPTUITRU-ZWKOTPCHSA-N 2 0 346.523 2.073 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757500 683748298 /nfs/dbraw/zinc/74/82/98/683748298.db2.gz SXTTZOQFZRDINO-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001026341363 684343724 /nfs/dbraw/zinc/34/37/24/684343724.db2.gz ZSJUURIKIGANST-USXIJHARSA-N 2 0 331.460 2.358 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793926 686908244 /nfs/dbraw/zinc/90/82/44/686908244.db2.gz ZZICXVKEGDASLG-MSOLQXFVSA-N 3 0 337.556 2.276 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029758185 687022656 /nfs/dbraw/zinc/02/26/56/687022656.db2.gz UJILOCDAGKJGIB-WMZOPIPTSA-N 2 0 345.512 2.126 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000985594831 687281665 /nfs/dbraw/zinc/28/16/65/687281665.db2.gz DMOSDGDPPFRVER-LJQANCHMSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352102 688524408 /nfs/dbraw/zinc/52/44/08/688524408.db2.gz FTNOZZPBICCPFK-GUYCJALGSA-N 2 0 346.500 2.183 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988966339 691333145 /nfs/dbraw/zinc/33/31/45/691333145.db2.gz LEKXCCQLULIFHX-MAUKXSAKSA-N 2 0 340.471 2.122 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027463647 692212049 /nfs/dbraw/zinc/21/20/49/692212049.db2.gz GENMLEAWKUFCSE-RBUKOAKNSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943515442 1192325688 /nfs/dbraw/zinc/32/56/88/1192325688.db2.gz GVQHWPZRWNBLKF-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)CCC=C)[C@H](C)C2)CC1 ZINC001107033804 1192848126 /nfs/dbraw/zinc/84/81/26/1192848126.db2.gz BEMDRBCEUDSVBF-QWFCFKBJSA-N 2 0 345.531 2.370 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001032206474 1193087262 /nfs/dbraw/zinc/08/72/62/1193087262.db2.gz BRQOXTKTASISLB-QGZVFWFLSA-N 2 0 339.483 2.141 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001105442568 1187163212 /nfs/dbraw/zinc/16/32/12/1187163212.db2.gz KFKLHHTWKGNXHC-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574555 1188188678 /nfs/dbraw/zinc/18/86/78/1188188678.db2.gz BBWZVXRENQJESJ-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818029 1194441050 /nfs/dbraw/zinc/44/10/50/1194441050.db2.gz AZTYANJDZHREPB-IYWMVGAKSA-N 2 0 343.515 2.197 20 30 EEEDRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777256 1195260816 /nfs/dbraw/zinc/26/08/16/1195260816.db2.gz UDHSSRRMXPGMJZ-WOJBJXKFSA-N 2 0 339.483 2.055 20 30 EEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404217 1196196935 /nfs/dbraw/zinc/19/69/35/1196196935.db2.gz HXEBAGRGEFDOHP-HNNXBMFYSA-N 2 0 332.448 2.041 20 30 EEEDRP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143553 1197003825 /nfs/dbraw/zinc/00/38/25/1197003825.db2.gz IBOHOPWRVJNPKR-HXUWFJFHSA-N 2 0 347.503 2.136 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001410890013 1198541531 /nfs/dbraw/zinc/54/15/31/1198541531.db2.gz SAYLBDYPVZBMKI-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608324 1199700300 /nfs/dbraw/zinc/70/03/00/1199700300.db2.gz UOUSCSYOTBGWCP-OLZOCXBDSA-N 2 0 346.313 2.252 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001133117643 1200470535 /nfs/dbraw/zinc/47/05/35/1200470535.db2.gz NCERQQRIGPFXEV-FXAWDEMLSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133337402 1200761395 /nfs/dbraw/zinc/76/13/95/1200761395.db2.gz NJXZLPJNROGHGC-APWZRJJASA-N 2 0 327.472 2.069 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001133392737 1200851267 /nfs/dbraw/zinc/85/12/67/1200851267.db2.gz KXQCHBBMKZZMIC-GOSISDBHSA-N 2 0 347.890 2.376 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111039027 1207665715 /nfs/dbraw/zinc/66/57/15/1207665715.db2.gz VIMBRTBMVYFLAO-MKXGPGLRSA-N 2 0 349.519 2.175 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000948056524 1208846554 /nfs/dbraw/zinc/84/65/54/1208846554.db2.gz KQBSPUDKNRODCU-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766784 1209360483 /nfs/dbraw/zinc/36/04/83/1209360483.db2.gz OBBJDXZOYPGTEA-APWZRJJASA-N 2 0 337.483 2.145 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948825653 1209403727 /nfs/dbraw/zinc/40/37/27/1209403727.db2.gz KXWDLVSUXPUNMX-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303902025 1213922537 /nfs/dbraw/zinc/92/25/37/1213922537.db2.gz SWNKJNBSRFQWLW-IAGOWNOFSA-N 2 0 325.545 2.132 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957642280 1215289681 /nfs/dbraw/zinc/28/96/81/1215289681.db2.gz GLWPYZRLFLVTCC-MRXNPFEDSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000960301585 1216481987 /nfs/dbraw/zinc/48/19/87/1216481987.db2.gz XQDNBKMRHHESCK-DFQSSKMNSA-N 2 0 339.483 2.113 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000960315473 1216488756 /nfs/dbraw/zinc/48/87/56/1216488756.db2.gz ZBOLAQPHLRAPGG-NHCUHLMSSA-N 2 0 347.462 2.367 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195404 1217081918 /nfs/dbraw/zinc/08/19/18/1217081918.db2.gz BNRCOVFGHGKZLR-QZTJIDSGSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](C(C)C)C3)C2)CC1 ZINC000961293797 1217132299 /nfs/dbraw/zinc/13/22/99/1217132299.db2.gz QZMCGYYARIUGCY-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CC=C)C2)CC1 ZINC000963429782 1217623706 /nfs/dbraw/zinc/62/37/06/1217623706.db2.gz RKRIKWLYWXNYBX-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000968861227 1221629537 /nfs/dbraw/zinc/62/95/37/1221629537.db2.gz KEUOVWPNEHISKH-QAPCUYQASA-N 2 0 345.491 2.337 20 30 EEEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC000968925418 1221675502 /nfs/dbraw/zinc/67/55/02/1221675502.db2.gz CPTMRGBYMNHDOP-SJORKVTESA-N 2 0 330.476 2.382 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492141 1222258141 /nfs/dbraw/zinc/25/81/41/1222258141.db2.gz LMXDOQLGZXVRBT-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754553 1226842776 /nfs/dbraw/zinc/84/27/76/1226842776.db2.gz OLRKOYGRSQURCD-QZTJIDSGSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016818993 1226903001 /nfs/dbraw/zinc/90/30/01/1226903001.db2.gz IFWFBHOOALPVGQ-OAHLLOKOSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@H](F)CC)CC3)CC1 ZINC001016986675 1227015207 /nfs/dbraw/zinc/01/52/07/1227015207.db2.gz SBJZRRYNBVYWGL-MSOLQXFVSA-N 2 0 349.494 2.050 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133954 1230344695 /nfs/dbraw/zinc/34/46/95/1230344695.db2.gz MUPSAGYQNUJPBT-MOPGFXCFSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259729 1231137361 /nfs/dbraw/zinc/13/73/61/1231137361.db2.gz ZHGGUCZEAFMFEW-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277018 1231148505 /nfs/dbraw/zinc/14/85/05/1231148505.db2.gz TUNOWPNAFGUTOO-HXUWFJFHSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040786871 1231368171 /nfs/dbraw/zinc/36/81/71/1231368171.db2.gz KIKHIZZKABKWGU-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001045797687 1234005171 /nfs/dbraw/zinc/00/51/71/1234005171.db2.gz VRBOXJVAZCMLRR-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045944968 1234205307 /nfs/dbraw/zinc/20/53/07/1234205307.db2.gz KTYLDOBJXKZOPH-AZUAARDMSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947536 1234209903 /nfs/dbraw/zinc/20/99/03/1234209903.db2.gz GNWPLYXSFVOAJG-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949571 1234214693 /nfs/dbraw/zinc/21/46/93/1234214693.db2.gz JVRDEOCNEUIBME-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966678 1234246817 /nfs/dbraw/zinc/24/68/17/1234246817.db2.gz CGNYIQGQAMCDDQ-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@@H+](CCF)C3)C2)CC1 ZINC001045985838 1234281424 /nfs/dbraw/zinc/28/14/24/1234281424.db2.gz CZCCOOPEKCRQAW-FQEVSTJZSA-N 2 0 349.494 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@@H+](CC=C)C3)C2)CC1 ZINC001045986351 1234281904 /nfs/dbraw/zinc/28/19/04/1234281904.db2.gz ODRMFUOUNJOMEQ-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046625284 1235008013 /nfs/dbraw/zinc/00/80/13/1235008013.db2.gz GUSLDXOBCHZNRC-FQEVSTJZSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887792 1239145917 /nfs/dbraw/zinc/14/59/17/1239145917.db2.gz DQMSCTAISVSZME-FCGDIQPGSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232760 1240333083 /nfs/dbraw/zinc/33/30/83/1240333083.db2.gz YAGPGNDCBJGDQE-GEEKYZPCSA-N 2 0 325.884 2.002 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000686985 1240735987 /nfs/dbraw/zinc/73/59/87/1240735987.db2.gz SUHLMDVVZBKGOF-IBGZPJMESA-N 2 0 343.515 2.413 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514408 1241189207 /nfs/dbraw/zinc/18/92/07/1241189207.db2.gz DQQALFHRAYYBAH-IPMKNSEASA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049767760 1242134115 /nfs/dbraw/zinc/13/41/15/1242134115.db2.gz RAQDQLIZOVFBBN-QRVBRYPASA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C[C@H](F)CC)C[C@H]32)CC1 ZINC001050208123 1243122955 /nfs/dbraw/zinc/12/29/55/1243122955.db2.gz CAXHYQVKZOLNSF-IPMKNSEASA-N 2 0 349.494 2.003 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207394 1243123427 /nfs/dbraw/zinc/12/34/27/1243123427.db2.gz OOUOXQSVLCNUMG-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001050604751 1243937918 /nfs/dbraw/zinc/93/79/18/1243937918.db2.gz OPYNUAMUXPXQDL-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105333 1245920951 /nfs/dbraw/zinc/92/09/51/1245920951.db2.gz NDQJVANSMNXHCW-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001101568054 1245970674 /nfs/dbraw/zinc/97/06/74/1245970674.db2.gz LNSGHCLMZCRPOO-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828679 1254690111 /nfs/dbraw/zinc/69/01/11/1254690111.db2.gz SIBQXQDAZMSEKQ-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCC1 ZINC001099552527 1258200554 /nfs/dbraw/zinc/20/05/54/1258200554.db2.gz OKSMYVWWFHUMAR-OKYOBFRVSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958560 1278092250 /nfs/dbraw/zinc/09/22/50/1278092250.db2.gz BRYDLOSYXJQESU-HUUCEWRRSA-N 2 0 327.432 2.330 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001186604221 1279174999 /nfs/dbraw/zinc/17/49/99/1279174999.db2.gz AYHBNJVDKWPWED-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188139377 1279774985 /nfs/dbraw/zinc/77/49/85/1279774985.db2.gz MYIWAJOXFBEDGZ-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001194246469 1282955531 /nfs/dbraw/zinc/95/55/31/1282955531.db2.gz MYIDJAPKMQCDGZ-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1OC ZINC001198977974 1285456942 /nfs/dbraw/zinc/45/69/42/1285456942.db2.gz YCAMESKENJMIAN-KRWDZBQOSA-N 2 0 342.443 2.292 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389130 1289551958 /nfs/dbraw/zinc/55/19/58/1289551958.db2.gz KMNYJFUDVYYGCX-HOTGVXAUSA-N 2 0 345.915 2.066 20 30 EEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001201563003 1289667182 /nfs/dbraw/zinc/66/71/82/1289667182.db2.gz AIPGWXANHJVMHG-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001211306544 1295811624 /nfs/dbraw/zinc/81/16/24/1295811624.db2.gz FEOUAGUECUJIBD-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213871857 1296202119 /nfs/dbraw/zinc/20/21/19/1296202119.db2.gz KAZWEFIMPGLRAC-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914809 1296221673 /nfs/dbraw/zinc/22/16/73/1296221673.db2.gz YAIFZFJVVLEUIU-RCCFBDPRSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013424 1300140973 /nfs/dbraw/zinc/14/09/73/1300140973.db2.gz XKQAUOVVFQNQOI-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001225577411 1301071538 /nfs/dbraw/zinc/07/15/38/1301071538.db2.gz GYKOAFHCBAOJFX-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H](C)C1 ZINC001102508958 1301162330 /nfs/dbraw/zinc/16/23/30/1301162330.db2.gz NGEFNNAMWJMMHE-MISYRCLQSA-N 2 0 341.499 2.387 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226161210 1301281224 /nfs/dbraw/zinc/28/12/24/1301281224.db2.gz NQLGVIFHYAHVTQ-KZNAEPCWSA-N 2 0 337.508 2.079 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001226768082 1301545861 /nfs/dbraw/zinc/54/58/61/1301545861.db2.gz ZKRZLFRSLMPFHK-QRVBRYPASA-N 2 0 331.504 2.434 20 30 EEEDRP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277238123 1301957129 /nfs/dbraw/zinc/95/71/29/1301957129.db2.gz AXKDNSFICGCQOG-VQTJNVASSA-N 2 0 326.488 2.188 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229231255 1302686913 /nfs/dbraw/zinc/68/69/13/1302686913.db2.gz PFTYXRBQLATWDL-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001114975273 1304578433 /nfs/dbraw/zinc/57/84/33/1304578433.db2.gz MHUKKBMTNGGJQH-BWTSREIZSA-N 2 0 327.472 2.374 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448725 1309547237 /nfs/dbraw/zinc/54/72/37/1309547237.db2.gz FDCSSAYJHLCZIM-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(C#N)s1)C2 ZINC001121703383 1310108953 /nfs/dbraw/zinc/10/89/53/1310108953.db2.gz RJGIFEAYOCJPKY-UHFFFAOYSA-N 2 0 346.500 2.088 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937466 1316097217 /nfs/dbraw/zinc/09/72/17/1316097217.db2.gz SJBRZZOMGOXTQU-IRXDYDNUSA-N 2 0 339.524 2.279 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023956 1316130465 /nfs/dbraw/zinc/13/04/65/1316130465.db2.gz ZZKZGDKUTOVFAL-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034221 1316942076 /nfs/dbraw/zinc/94/20/76/1316942076.db2.gz WNYSEFHAQJMKGV-UYAOXDASSA-N 2 0 341.499 2.349 20 30 EEEDRP C#CCOC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001251840712 1317508285 /nfs/dbraw/zinc/50/82/85/1317508285.db2.gz SOJPGCFVQYBQRR-QGZVFWFLSA-N 2 0 348.512 2.047 20 30 EEEDRP C=CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252493742 1317616970 /nfs/dbraw/zinc/61/69/70/1317616970.db2.gz SOWMUSAACNHMPQ-HAGHYFMRSA-N 2 0 330.472 2.335 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621006 1317677699 /nfs/dbraw/zinc/67/76/99/1317677699.db2.gz LDXBPNVOLMQBNP-QZTJIDSGSA-N 2 0 339.524 2.279 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373818 1317983775 /nfs/dbraw/zinc/98/37/75/1317983775.db2.gz ATGVDTICFPAYGN-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036619 1318979293 /nfs/dbraw/zinc/97/92/93/1318979293.db2.gz DQIAAMHZYWNSHK-PMACEKPBSA-N 2 0 339.483 2.008 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCC1 ZINC001158073588 1318996376 /nfs/dbraw/zinc/99/63/76/1318996376.db2.gz QECGHWREDGYWNL-UHFFFAOYSA-N 2 0 341.499 2.399 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001158474241 1319257608 /nfs/dbraw/zinc/25/76/08/1319257608.db2.gz URQSYGJMLCXNPR-VQIMIIECSA-N 2 0 337.483 2.145 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869078 1320008782 /nfs/dbraw/zinc/00/87/82/1320008782.db2.gz SFRNNSCRVZPZDE-AEFFLSMTSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317155 1320819344 /nfs/dbraw/zinc/81/93/44/1320819344.db2.gz YCZZJVLELJWYAK-OAHLLOKOSA-N 2 0 327.432 2.332 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982580 1321004222 /nfs/dbraw/zinc/00/42/22/1321004222.db2.gz IZIBQQHEAJNBRC-UHFFFAOYSA-N 2 0 343.515 2.403 20 30 EEEDRP N#Cc1c2c(cnc1N1CCCCC13CC[NH2+]CC3)C[NH2+]CCC2 ZINC001165337230 1321503194 /nfs/dbraw/zinc/50/31/94/1321503194.db2.gz LDDYHEIMSSXOHU-UHFFFAOYSA-N 2 0 325.460 2.102 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001165367474 1321509785 /nfs/dbraw/zinc/50/97/85/1321509785.db2.gz WEBDJWCLJUNUPA-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC(C)C)C23CCC3)CC1 ZINC001203774234 1321958439 /nfs/dbraw/zinc/95/84/39/1321958439.db2.gz ZJCQMAKVCWJUPA-RTBURBONSA-N 2 0 345.531 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCCCF)CC2)CC1 ZINC001203888475 1321982980 /nfs/dbraw/zinc/98/29/80/1321982980.db2.gz LOCHPRWITIIFBZ-UHFFFAOYSA-N 2 0 337.483 2.052 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205410135 1323117718 /nfs/dbraw/zinc/11/77/18/1323117718.db2.gz AKIPRWQEYMYOMY-UHFFFAOYSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668592 1323236944 /nfs/dbraw/zinc/23/69/44/1323236944.db2.gz GRWHHUMCNYZWDJ-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587950 1323539633 /nfs/dbraw/zinc/53/96/33/1323539633.db2.gz RHINZNRXYCQDQQ-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038390 1337948102 /nfs/dbraw/zinc/94/81/02/1337948102.db2.gz IWGVXDRPIVIRMY-ZWKOTPCHSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001100349029 1338293852 /nfs/dbraw/zinc/29/38/52/1338293852.db2.gz OULBHCYDYIYVNP-JTTJXQCZSA-N 2 0 345.491 2.241 20 30 EEEDRP CC(C)CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001575554041 1343825775 /nfs/dbraw/zinc/82/57/75/1343825775.db2.gz KHORYBYJVNBKAK-SFHVURJKSA-N 2 0 330.476 2.212 20 30 EEEDRP N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](CC[NH3+])C2)sc2c1CCC2 ZINC001580056372 1344460792 /nfs/dbraw/zinc/46/07/92/1344460792.db2.gz BDIRVWSJGZLBHS-LBPRGKRZSA-N 2 0 332.473 2.108 20 30 EEEDRP C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CC[NH+](C)CC1 ZINC001588648760 1348927425 /nfs/dbraw/zinc/92/74/25/1348927425.db2.gz QDPPJJCRZCKDLO-UHFFFAOYSA-N 2 0 326.448 2.197 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(NC(=O)C(=C)C[NH+](C)C)c(C)c1 ZINC000856013808 1369402849 /nfs/dbraw/zinc/40/28/49/1369402849.db2.gz DLCRZMZMMZNYSC-UHFFFAOYSA-N 2 0 344.459 2.108 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001389386380 1388091891 /nfs/dbraw/zinc/09/18/91/1388091891.db2.gz HBNZQSBXSVCZAO-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001121969404 1371935745 /nfs/dbraw/zinc/93/57/45/1371935745.db2.gz RHMSNXNJHREOCQ-UHFFFAOYSA-N 2 0 349.519 2.080 20 30 EEEDRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001368561031 1374435531 /nfs/dbraw/zinc/43/55/31/1374435531.db2.gz ZNMQKFRAAUALTD-SFHVURJKSA-N 2 0 348.466 2.318 20 30 EEEDRP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001374814919 1377089288 /nfs/dbraw/zinc/08/92/88/1377089288.db2.gz VBAWDNTUXBZOHM-CQSZACIVSA-N 2 0 348.466 2.270 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001375111556 1377380240 /nfs/dbraw/zinc/38/02/40/1377380240.db2.gz HEKYCUREANLLIV-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(C#N)c1 ZINC001379166281 1380609917 /nfs/dbraw/zinc/60/99/17/1380609917.db2.gz FUUMXUGGWVDVDR-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001381121339 1381520610 /nfs/dbraw/zinc/52/06/10/1381520610.db2.gz DLGCDAFNXRMRDC-ZBFHGGJFSA-N 2 0 327.900 2.442 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001394131361 1390627359 /nfs/dbraw/zinc/62/73/59/1390627359.db2.gz XOIMHEWGIDTULH-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001394709584 1390743048 /nfs/dbraw/zinc/74/30/48/1390743048.db2.gz STQQDHMJQATTSW-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[N@H+](Cc1cccc(C#N)c1)C1CC1)[NH+](C)C ZINC001400004370 1395797820 /nfs/dbraw/zinc/79/78/20/1395797820.db2.gz IPJBWIQIBKFDIC-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001400228534 1396077379 /nfs/dbraw/zinc/07/73/79/1396077379.db2.gz MSZSXPWXYIZWGC-HNNXBMFYSA-N 2 0 348.516 2.242 20 30 EEEDRP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CCC)CC1 ZINC001754638582 1406937346 /nfs/dbraw/zinc/93/73/46/1406937346.db2.gz CYNDDZMRVOOALU-PKOBYXMFSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001755619839 1407686686 /nfs/dbraw/zinc/68/66/86/1407686686.db2.gz ZUQUWFVJQCFJQW-INIZCTEOSA-N 2 0 345.462 2.107 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H](C)F)[C@@H]2CC)CC1 ZINC001087839956 782348186 /nfs/dbraw/zinc/34/81/86/782348186.db2.gz BGQNITWJKBFADV-BPQIPLTHSA-N 2 0 337.483 2.049 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573177 761929818 /nfs/dbraw/zinc/92/98/18/761929818.db2.gz KRSQHRSOCQRGFQ-QRVBRYPASA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001112491075 758071557 /nfs/dbraw/zinc/07/15/57/758071557.db2.gz DEPSGGLUIGBQKK-RXVVDRJESA-N 2 0 345.531 2.350 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203204035 759803281 /nfs/dbraw/zinc/80/32/81/759803281.db2.gz XFQMNVZJIRAPPV-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001167655286 760877779 /nfs/dbraw/zinc/87/77/79/760877779.db2.gz LBDMBZLTYDMZDL-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001104451149 760906927 /nfs/dbraw/zinc/90/69/27/760906927.db2.gz UDYLURBEJBDEFW-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676763 764721917 /nfs/dbraw/zinc/72/19/17/764721917.db2.gz XBZKZUBIHSUXTQ-VNQPRFMTSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087994062 782732359 /nfs/dbraw/zinc/73/23/59/782732359.db2.gz POKWXSLGUOWNKR-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540205 770171296 /nfs/dbraw/zinc/17/12/96/770171296.db2.gz SIOUPAMZHCICGI-HNNXBMFYSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C(C)C)C[C@@H]2C1 ZINC001088125636 782945313 /nfs/dbraw/zinc/94/53/13/782945313.db2.gz SIUAQJXQGZUWHF-SJORKVTESA-N 2 0 330.476 2.363 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980080096 773833513 /nfs/dbraw/zinc/83/35/13/773833513.db2.gz AJQWNFQRXGETMH-RCCFBDPRSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138969 773928604 /nfs/dbraw/zinc/92/86/04/773928604.db2.gz IEDJFCXNNLKGFE-RCCFBDPRSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997613193 790446062 /nfs/dbraw/zinc/44/60/62/790446062.db2.gz FPNKAQRKYRFGHM-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526973 777587928 /nfs/dbraw/zinc/58/79/28/777587928.db2.gz BZNSKQNKNJNQSI-KBPBESRZSA-N 2 0 344.297 2.008 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116995 779127765 /nfs/dbraw/zinc/12/77/65/779127765.db2.gz WOYHSDCYSYNHGQ-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261695069 780422900 /nfs/dbraw/zinc/42/29/00/780422900.db2.gz FNUXDRJGIPAOII-HWWQOWPSSA-N 2 0 333.480 2.043 20 30 EEEDRP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089860925 780865414 /nfs/dbraw/zinc/86/54/14/780865414.db2.gz CNHLMQSXLACLII-MHORFTMASA-N 2 0 331.504 2.073 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122384 780870976 /nfs/dbraw/zinc/87/09/76/780870976.db2.gz KKWOGWWJPLDTOG-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105395811 781888723 /nfs/dbraw/zinc/88/87/23/781888723.db2.gz FRNGNEZUJXWZQQ-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172714 781888652 /nfs/dbraw/zinc/88/86/52/781888652.db2.gz MDGGLBBGMHIWGG-GOEBONIOSA-N 2 0 339.911 2.442 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001135314631 783597079 /nfs/dbraw/zinc/59/70/79/783597079.db2.gz DSSYGOKZKRTYFX-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001135314908 783597275 /nfs/dbraw/zinc/59/72/75/783597275.db2.gz ISBKZAMCJCHSOV-IAGOWNOFSA-N 2 0 347.478 2.392 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260147 784215402 /nfs/dbraw/zinc/21/54/02/784215402.db2.gz OPQFDDODQBBBMX-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036130731 785886344 /nfs/dbraw/zinc/88/63/44/785886344.db2.gz IISQZWBOBBZCCJ-ZFWWWQNUSA-N 2 0 327.900 2.440 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1)[NH+](C)C ZINC000996714290 787252698 /nfs/dbraw/zinc/25/26/98/787252698.db2.gz ANOYHJRNRTXEKR-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107451208 787271366 /nfs/dbraw/zinc/27/13/66/787271366.db2.gz RHPNWPAFIZSPGB-NLWGTHIKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000825275367 788564506 /nfs/dbraw/zinc/56/45/06/788564506.db2.gz IXISMEYFWXRPRJ-UHFFFAOYSA-N 2 0 329.488 2.204 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001171159994 789559008 /nfs/dbraw/zinc/55/90/08/789559008.db2.gz CFVYMKVOQJAGSM-CABCVRRESA-N 2 0 348.516 2.336 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006130851 789720514 /nfs/dbraw/zinc/72/05/14/789720514.db2.gz GZLPYSZHVYHHIC-UHFFFAOYSA-N 2 0 327.472 2.308 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908304 789784004 /nfs/dbraw/zinc/78/40/04/789784004.db2.gz SNOBTSQNZKHPNA-RDGPPVDQSA-N 2 0 331.504 2.217 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001146383085 791254633 /nfs/dbraw/zinc/25/46/33/791254633.db2.gz BHMVVCPBGGDKEB-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594828 791365829 /nfs/dbraw/zinc/36/58/29/791365829.db2.gz VHRVLCRRQQXLGL-QZTJIDSGSA-N 2 0 329.488 2.251 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H]1C ZINC001088975981 791792916 /nfs/dbraw/zinc/79/29/16/791792916.db2.gz AIUBLJOWMWOCQO-WBVHZDCISA-N 2 0 339.443 2.426 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330035 792342077 /nfs/dbraw/zinc/34/20/77/792342077.db2.gz RCGCRQXTRKQCEA-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCCCCF)C3)CC1 ZINC001148827316 792702488 /nfs/dbraw/zinc/70/24/88/792702488.db2.gz AASHGRONFQXITO-UHFFFAOYSA-N 2 0 349.494 2.006 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923208 792992515 /nfs/dbraw/zinc/99/25/15/792992515.db2.gz LXGILIPRPGTVOD-MJGOQNOKSA-N 2 0 343.515 2.055 20 30 EEEDRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998995728 793649136 /nfs/dbraw/zinc/64/91/36/793649136.db2.gz UDQBYYKJIGCXRH-CTWPCTMYSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300314 793776552 /nfs/dbraw/zinc/77/65/52/793776552.db2.gz VCCCULWUWAWRTL-NQIIRXRSSA-N 2 0 339.483 2.165 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001112540205 794076093 /nfs/dbraw/zinc/07/60/93/794076093.db2.gz KZUGQRGHAYEEBM-DYXWJJEUSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@@H](F)CC)CC3)CC1 ZINC000992502955 794429451 /nfs/dbraw/zinc/42/94/51/794429451.db2.gz CNMLBEYQDJJECG-BJLQDIEVSA-N 2 0 349.494 2.193 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cccc(F)c1 ZINC001079196343 794474352 /nfs/dbraw/zinc/47/43/52/794474352.db2.gz KSCJMKNTQAUZIO-RBUKOAKNSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C/CC)CC1 ZINC001110147213 795388068 /nfs/dbraw/zinc/38/80/68/795388068.db2.gz PWEOJYXLRPQNSA-UOUNDWCUSA-N 2 0 343.515 2.409 20 30 EEEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106779794 796519098 /nfs/dbraw/zinc/51/90/98/796519098.db2.gz WNZMRPDUVVJEAS-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001094954939 797105849 /nfs/dbraw/zinc/10/58/49/797105849.db2.gz NLFLTGYTIGRDPS-XHSDSOJGSA-N 2 0 337.895 2.336 20 30 EEEDRP CC1(C#N)CCC([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001173598032 797552843 /nfs/dbraw/zinc/55/28/43/797552843.db2.gz MDPRTJFPGFGDQR-UHFFFAOYSA-N 2 0 332.492 2.121 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206245896 798075259 /nfs/dbraw/zinc/07/52/59/798075259.db2.gz LSISMIWFIPLKPV-GOSISDBHSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)[C@@H]2C)CC1 ZINC000994501152 798107259 /nfs/dbraw/zinc/10/72/59/798107259.db2.gz SEPPHIMQSKNYNR-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231249 798387909 /nfs/dbraw/zinc/38/79/09/798387909.db2.gz RJVLDKFFQFHPGK-KRWDZBQOSA-N 2 0 327.513 2.186 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563774 798497774 /nfs/dbraw/zinc/49/77/74/798497774.db2.gz HGUCJLMSKIUAKW-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001016331713 798593708 /nfs/dbraw/zinc/59/37/08/798593708.db2.gz KTPYBXFIBJQWPJ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001176926573 798631145 /nfs/dbraw/zinc/63/11/45/798631145.db2.gz PQWLAHLXMCAOOT-INIZCTEOSA-N 2 0 345.462 2.328 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001177339390 798873273 /nfs/dbraw/zinc/87/32/73/798873273.db2.gz FEQLWKKNUYBYSJ-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502423 799500655 /nfs/dbraw/zinc/50/06/55/799500655.db2.gz QDMZTXGDGNHBCS-MRXNPFEDSA-N 2 0 327.900 2.347 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001179553890 799989695 /nfs/dbraw/zinc/98/96/95/799989695.db2.gz DPZCHIFNLRZRFU-WMZOPIPTSA-N 2 0 349.906 2.492 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799195 800107400 /nfs/dbraw/zinc/10/74/00/800107400.db2.gz MZDYXYKSHGJUDE-BQFCYCMXSA-N 2 0 337.508 2.031 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001179933685 800167501 /nfs/dbraw/zinc/16/75/01/800167501.db2.gz XSQOATKVVLGUHT-UHFFFAOYSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001180039857 800238521 /nfs/dbraw/zinc/23/85/21/800238521.db2.gz OWVOQSSGNFOTLP-FQEVSTJZSA-N 2 0 329.488 2.363 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180077276 800258105 /nfs/dbraw/zinc/25/81/05/800258105.db2.gz QLNAIFOHNMWSDE-UHFFFAOYSA-N 2 0 348.491 2.230 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@H](F)CC)CC1 ZINC001180360895 800378334 /nfs/dbraw/zinc/37/83/34/800378334.db2.gz PHSDXCPYGGZIAW-GOSISDBHSA-N 2 0 339.499 2.346 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108206696 801118184 /nfs/dbraw/zinc/11/81/84/801118184.db2.gz HILKIIOGZJYVTK-PKOBYXMFSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004441199 802051537 /nfs/dbraw/zinc/05/15/37/802051537.db2.gz HGWHGMVOILLRIE-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438362 802064012 /nfs/dbraw/zinc/06/40/12/802064012.db2.gz OVLAQFTZFIGWDC-RBUKOAKNSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438360 802064311 /nfs/dbraw/zinc/06/43/11/802064311.db2.gz OVLAQFTZFIGWDC-MOPGFXCFSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC001184693048 802129974 /nfs/dbraw/zinc/12/99/74/802129974.db2.gz NLJVYAGBHIXHRX-DLBZAZTESA-N 2 0 330.476 2.168 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185050387 802302790 /nfs/dbraw/zinc/30/27/90/802302790.db2.gz DWMAGHKIIUMBPF-JKSUJKDBSA-N 2 0 331.460 2.052 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141046 802316304 /nfs/dbraw/zinc/31/63/04/802316304.db2.gz JYRMTEUNDIRLNL-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185294349 802448196 /nfs/dbraw/zinc/44/81/96/802448196.db2.gz PHGBRBNAUBMEPQ-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946643052 802553505 /nfs/dbraw/zinc/55/35/05/802553505.db2.gz ZKTOLGGOBNLHKC-IYWMVGAKSA-N 2 0 343.515 2.197 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082705 802957792 /nfs/dbraw/zinc/95/77/92/802957792.db2.gz HATNCVUIWMADSH-QZTJIDSGSA-N 2 0 341.540 2.240 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497466 803129237 /nfs/dbraw/zinc/12/92/37/803129237.db2.gz NDTIMGULEJYQAL-JYJNAYRXSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717592 804387500 /nfs/dbraw/zinc/38/75/00/804387500.db2.gz PONNTKFWCCKIJB-ZNMIVQPWSA-N 2 0 327.900 2.438 20 30 EEEDRP CCCCCCC[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001113419617 808932570 /nfs/dbraw/zinc/93/25/70/808932570.db2.gz XKHJSVFZPWKWMY-UHFFFAOYSA-N 2 0 349.523 2.173 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620179 810648227 /nfs/dbraw/zinc/64/82/27/810648227.db2.gz BLGAMVYWZMDDCG-RBUKOAKNSA-N 2 0 339.483 2.243 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001496364814 1100957973 /nfs/dbraw/zinc/95/79/73/1100957973.db2.gz URCSTJSFKQAXPB-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000128239801 292338453 /nfs/dbraw/zinc/33/84/53/292338453.db2.gz QJWHHVABZPIYHS-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000365005134 165349035 /nfs/dbraw/zinc/34/90/35/165349035.db2.gz BMRPJWSNABQSNQ-LJQANCHMSA-N 2 0 340.471 2.327 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCOc1cccc(C#N)c1 ZINC000374419980 167038680 /nfs/dbraw/zinc/03/86/80/167038680.db2.gz JULMSAHLAZLUPY-NEWSRXKRSA-N 2 0 329.444 2.121 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000565416723 319180731 /nfs/dbraw/zinc/18/07/31/319180731.db2.gz HKHMSAZWPITEGE-UHFFFAOYSA-N 2 0 349.500 2.044 20 30 EEEDRP Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000328912849 465164396 /nfs/dbraw/zinc/16/43/96/465164396.db2.gz HPLFPFONXIERGM-IAGOWNOFSA-N 2 0 345.491 2.215 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296759208 465232823 /nfs/dbraw/zinc/23/28/23/465232823.db2.gz FQIZKDQQLZGXLI-UHFFFAOYSA-N 2 0 342.487 2.037 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000068810556 463178943 /nfs/dbraw/zinc/17/89/43/463178943.db2.gz LPSDGGZFSOAKJL-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121722002 463183868 /nfs/dbraw/zinc/18/38/68/463183868.db2.gz BRCVWJZLGYDKSP-KRWDZBQOSA-N 2 0 334.508 2.335 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000283005457 463731109 /nfs/dbraw/zinc/73/11/09/463731109.db2.gz RMZXVHNYHFUIDN-SFHVURJKSA-N 2 0 347.890 2.404 20 30 EEEDRP C[NH+]=C(NCc1ccoc1)NCC1(N(C)C)Cc2ccccc2C1 ZINC000262364480 464011567 /nfs/dbraw/zinc/01/15/67/464011567.db2.gz HKAVGTVXXJMEFA-UHFFFAOYSA-N 2 0 326.444 2.044 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000172584869 464111303 /nfs/dbraw/zinc/11/13/03/464111303.db2.gz XDUBNRSKPIPXFD-UHFFFAOYSA-N 2 0 334.508 2.297 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(OC)c(OC)c1 ZINC000264068317 464279328 /nfs/dbraw/zinc/27/93/28/464279328.db2.gz CEEMQUJNBDIQFT-INIZCTEOSA-N 2 0 348.491 2.025 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)C(C)C)cc1 ZINC000264153324 464288856 /nfs/dbraw/zinc/28/88/56/464288856.db2.gz ZVZSISLRHKNUPC-QGZVFWFLSA-N 2 0 345.491 2.170 20 30 EEEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000293637637 464415995 /nfs/dbraw/zinc/41/59/95/464415995.db2.gz ROAUZZMQQHZTHA-PMACEKPBSA-N 2 0 326.488 2.428 20 30 EEEDRP CC[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC[NH2+]1 ZINC000593919319 468433488 /nfs/dbraw/zinc/43/34/88/468433488.db2.gz TTZSESQHHJRCFR-HXUWFJFHSA-N 2 0 340.471 2.171 20 30 EEEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330233457 465580473 /nfs/dbraw/zinc/58/04/73/465580473.db2.gz SCEOCOMDHTVDNB-SQNIBIBYSA-N 2 0 335.492 2.338 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cn2)CC1 ZINC000361834353 466334302 /nfs/dbraw/zinc/33/43/02/466334302.db2.gz SVSXZMYTHYBJMR-UHFFFAOYSA-N 2 0 339.418 2.134 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000374000143 466994909 /nfs/dbraw/zinc/99/49/09/466994909.db2.gz BMDHULJLUMDGRW-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424181656 466998656 /nfs/dbraw/zinc/99/86/56/466998656.db2.gz ROFNHILNEYBHSX-WMZOPIPTSA-N 2 0 328.460 2.131 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000445083896 467583940 /nfs/dbraw/zinc/58/39/40/467583940.db2.gz PXKHGNBKMRNHDK-UHFFFAOYSA-N 2 0 336.524 2.448 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488801917 468105743 /nfs/dbraw/zinc/10/57/43/468105743.db2.gz QIHFBELFBBBEFR-LZLYRXPVSA-N 2 0 334.508 2.009 20 30 EEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C#N)cc2F)CC1 ZINC000533150267 468176560 /nfs/dbraw/zinc/17/65/60/468176560.db2.gz WVABMVFBGWZTJJ-UHFFFAOYSA-N 2 0 325.391 2.456 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000583072936 468638537 /nfs/dbraw/zinc/63/85/37/468638537.db2.gz ZZFNGZBAXHMZAR-HNNXBMFYSA-N 2 0 343.475 2.060 20 30 EEEDRP C[NH+](C)CCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000558421201 468676742 /nfs/dbraw/zinc/67/67/42/468676742.db2.gz AEWIELZBKKGNAT-UHFFFAOYSA-N 2 0 342.487 2.393 20 30 EEEDRP C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781286 469064861 /nfs/dbraw/zinc/06/48/61/469064861.db2.gz YMHOAHHITPNCRG-ZZJWQFMZSA-N 2 0 343.471 2.049 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)C(C)C ZINC000649297181 470534604 /nfs/dbraw/zinc/53/46/04/470534604.db2.gz RBYSICFVRJFGRA-IBGZPJMESA-N 2 0 341.499 2.298 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000740737451 578106452 /nfs/dbraw/zinc/10/64/52/578106452.db2.gz NOHCMJNFVPDDQH-LJQANCHMSA-N 2 0 327.472 2.283 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716988 676375977 /nfs/dbraw/zinc/37/59/77/676375977.db2.gz NCQMVYPOXNRJQM-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686665 676740468 /nfs/dbraw/zinc/74/04/68/676740468.db2.gz DGYDDYBADQRWNS-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023122775 679133687 /nfs/dbraw/zinc/13/36/87/679133687.db2.gz DOUQYEXSECJKDW-SYQHCUMBSA-N 2 0 344.297 2.005 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023130934 679137559 /nfs/dbraw/zinc/13/75/59/679137559.db2.gz NZMQLNTWBQWROP-CEXWTWQISA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553124 679374448 /nfs/dbraw/zinc/37/44/48/679374448.db2.gz VWNGVYWHPHFLFS-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001023554000 679374584 /nfs/dbraw/zinc/37/45/84/679374584.db2.gz DUABFHQASCBPFE-PKOBYXMFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024547059 680076701 /nfs/dbraw/zinc/07/67/01/680076701.db2.gz IHLOIVCQEQQELH-INIZCTEOSA-N 2 0 325.416 2.038 20 30 EEEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000261976908 682709123 /nfs/dbraw/zinc/70/91/23/682709123.db2.gz GIIPAACLLLFNCR-CYBMUJFWSA-N 2 0 330.432 2.059 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(C)C)[C@H]3C2)CC1 ZINC000992929070 683659756 /nfs/dbraw/zinc/65/97/56/683659756.db2.gz FCSJWGLOLJDYRZ-SLFFLAALSA-N 2 0 345.531 2.204 20 30 EEEDRP C[NH+]=C(NCCOC1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262448507 686110420 /nfs/dbraw/zinc/11/04/20/686110420.db2.gz JIRINGQCJARKJC-QGZVFWFLSA-N 2 0 336.524 2.471 20 30 EEEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@H]1c1cccs1 ZINC000262519238 686800980 /nfs/dbraw/zinc/80/09/80/686800980.db2.gz HUAJXOFLSODDMK-ZFWWWQNUSA-N 2 0 338.546 2.495 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)[C@H]2C)CC1 ZINC000987575411 689839189 /nfs/dbraw/zinc/83/91/89/689839189.db2.gz JSOLRDZHANHBEB-YLJYHZDGSA-N 2 0 339.483 2.111 20 30 EEEDRP C=CCCC[C@@H](N)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904626644 694439513 /nfs/dbraw/zinc/43/95/13/694439513.db2.gz NKJPWTVQZUFHHR-CQSZACIVSA-N 2 0 331.420 2.428 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001482429820 1185688558 /nfs/dbraw/zinc/68/85/58/1185688558.db2.gz VFBKETIOVXJLSM-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563520 1188179897 /nfs/dbraw/zinc/17/98/97/1188179897.db2.gz ONLNFQGEUGGWPC-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576476 1188190699 /nfs/dbraw/zinc/19/06/99/1188190699.db2.gz FEUAWIQENOKVPF-SFHVURJKSA-N 2 0 331.504 2.247 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203431462 1188217105 /nfs/dbraw/zinc/21/71/05/1188217105.db2.gz IWJVUQYWCFKUGW-UHFFFAOYSA-N 2 0 348.516 2.432 20 30 EEEDRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777017 1195260843 /nfs/dbraw/zinc/26/08/43/1195260843.db2.gz SFJWFFPAKZGDMQ-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033777379 1195261700 /nfs/dbraw/zinc/26/17/00/1195261700.db2.gz VIFDQZNONZTPBT-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001034716746 1196606638 /nfs/dbraw/zinc/60/66/38/1196606638.db2.gz RGEQRULUDLABTB-VGWMRTNUSA-N 2 0 327.900 2.486 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132154323 1199367562 /nfs/dbraw/zinc/36/75/62/1199367562.db2.gz YROLQVSYXHOVAS-WBVHZDCISA-N 2 0 342.443 2.120 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132142164 1199375987 /nfs/dbraw/zinc/37/59/87/1199375987.db2.gz YVUGPWNEGLECNI-IRXDYDNUSA-N 2 0 330.476 2.453 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173533 1199389337 /nfs/dbraw/zinc/38/93/37/1199389337.db2.gz NMEWJNZOYPBHQB-NVXWUHKLSA-N 2 0 342.443 2.120 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001134608107 1199700240 /nfs/dbraw/zinc/70/02/40/1199700240.db2.gz QVQZNPSXOGRNNG-CVEARBPZSA-N 2 0 342.487 2.415 20 30 EEEDRP CC(C)(C)C#CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876922354 1199819331 /nfs/dbraw/zinc/81/93/31/1199819331.db2.gz WRNVXPWTHSQDJD-UHFFFAOYSA-N 2 0 327.472 2.146 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001133090918 1200432570 /nfs/dbraw/zinc/43/25/70/1200432570.db2.gz MDCSQXUGEWTXAO-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001133092070 1200433950 /nfs/dbraw/zinc/43/39/50/1200433950.db2.gz YKMNZENADMRTTD-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133332862 1200754739 /nfs/dbraw/zinc/75/47/39/1200754739.db2.gz ACUCCGSMWJTCEV-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C2)CC1 ZINC001133337086 1200761545 /nfs/dbraw/zinc/76/15/45/1200761545.db2.gz INNBNZYFNRFYPQ-HKUYNNGSSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C)CC1 ZINC001133403809 1200865732 /nfs/dbraw/zinc/86/57/32/1200865732.db2.gz KGARBCHVPGMQTE-UHFFFAOYSA-N 2 0 347.890 2.233 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CCCc1cccc(C#N)c1)C2 ZINC001274891087 1205201845 /nfs/dbraw/zinc/20/18/45/1205201845.db2.gz RXCDFDIWDVEMRH-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP C#CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001275975875 1205612982 /nfs/dbraw/zinc/61/29/82/1205612982.db2.gz ZEIADKOPYGKLSB-ZCNNSNEGSA-N 2 0 343.515 2.055 20 30 EEEDRP Cc1nc[nH]c1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276207508 1205833772 /nfs/dbraw/zinc/83/37/72/1205833772.db2.gz YLSXLNBARDGMCG-UHFFFAOYSA-N 2 0 338.459 2.026 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3ccnc3C1)C2 ZINC001095646400 1205901772 /nfs/dbraw/zinc/90/17/72/1205901772.db2.gz ZYEQBAHLQFUGJL-YVSFHVDLSA-N 2 0 328.460 2.133 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC000949250865 1209594554 /nfs/dbraw/zinc/59/45/54/1209594554.db2.gz BIPIMFSFCGNJHD-HDICACEKSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC000949352416 1209646405 /nfs/dbraw/zinc/64/64/05/1209646405.db2.gz UDELPNPSIUDOMY-UHFFFAOYSA-N 2 0 346.475 2.002 20 30 EEEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000303905134 1213923671 /nfs/dbraw/zinc/92/36/71/1213923671.db2.gz VJCYLPUHAXFEOD-UHFFFAOYSA-N 2 0 345.535 2.289 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957560409 1215211088 /nfs/dbraw/zinc/21/10/88/1215211088.db2.gz ZFXSJZUQOZICOL-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957561138 1215212154 /nfs/dbraw/zinc/21/21/54/1215212154.db2.gz GFUGNLOBBUEOID-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000957573280 1215222499 /nfs/dbraw/zinc/22/24/99/1215222499.db2.gz PKKKKQISBPVJLL-UHFFFAOYSA-N 2 0 343.515 2.343 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960720253 1216833987 /nfs/dbraw/zinc/83/39/87/1216833987.db2.gz SONNSPMRGLIPNB-RHSMWYFYSA-N 2 0 348.516 2.383 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219762 1217095016 /nfs/dbraw/zinc/09/50/16/1217095016.db2.gz KEUGGVULIMHXLC-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253576 1217112034 /nfs/dbraw/zinc/11/20/34/1217112034.db2.gz QOIZPPZRDPDDFO-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373061 1217162749 /nfs/dbraw/zinc/16/27/49/1217162749.db2.gz FWKLGQPOGHWDOD-RTBURBONSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315508 1217508153 /nfs/dbraw/zinc/50/81/53/1217508153.db2.gz UTEXWVYXXLCXHZ-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000962304686 1217602149 /nfs/dbraw/zinc/60/21/49/1217602149.db2.gz CAQANJHJTQVOOT-MNNVXMFVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000963861262 1218084730 /nfs/dbraw/zinc/08/47/30/1218084730.db2.gz QEQBYVVHRUPGJA-UHFFFAOYSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416779 1221287978 /nfs/dbraw/zinc/28/79/78/1221287978.db2.gz AYNFAAUEMBQWAT-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968644508 1221459371 /nfs/dbraw/zinc/45/93/71/1221459371.db2.gz ADOWIGWRQQXJQH-RTBURBONSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C)CC1 ZINC000968681241 1221487773 /nfs/dbraw/zinc/48/77/73/1221487773.db2.gz HXKZIJQRJAFKEW-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000968998463 1221728905 /nfs/dbraw/zinc/72/89/05/1221728905.db2.gz WYWMWRSXNKZNHB-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001016336092 1226359157 /nfs/dbraw/zinc/35/91/57/1226359157.db2.gz IBUOFZJBERHQDP-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016791556 1226882161 /nfs/dbraw/zinc/88/21/61/1226882161.db2.gz NZDLVGZBYWRJLN-JYJNAYRXSA-N 2 0 339.911 2.440 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862287 1226929059 /nfs/dbraw/zinc/92/90/59/1226929059.db2.gz VNRVQVQZDHXBBA-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C/C=C\Cl)CC3)CC1 ZINC001016984582 1227014202 /nfs/dbraw/zinc/01/42/02/1227014202.db2.gz FHPHGQSOPZYSKC-VCKUIECUSA-N 2 0 349.906 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042696 1230258936 /nfs/dbraw/zinc/25/89/36/1230258936.db2.gz WEMIUCBFGCADEB-LJQANCHMSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133325 1230342450 /nfs/dbraw/zinc/34/24/50/1230342450.db2.gz GTKSATYGGSICAG-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163413 1230385315 /nfs/dbraw/zinc/38/53/15/1230385315.db2.gz CLDYDCVUQXPINX-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167412 1230391013 /nfs/dbraw/zinc/39/10/13/1230391013.db2.gz TVLOSKIZNGRZCA-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039301451 1230516608 /nfs/dbraw/zinc/51/66/08/1230516608.db2.gz JBCUPRZGSKJHJI-QBUWPKIASA-N 2 0 331.504 2.386 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001040774170 1231363853 /nfs/dbraw/zinc/36/38/53/1231363853.db2.gz JRVKRBCYXTXPLE-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848210 1231387219 /nfs/dbraw/zinc/38/72/19/1231387219.db2.gz FVXPQOHNELNKRZ-GOEBONIOSA-N 2 0 339.911 2.251 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360454 1231519475 /nfs/dbraw/zinc/51/94/75/1231519475.db2.gz YMEFYDPXCZALQJ-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041584653 1231608860 /nfs/dbraw/zinc/60/88/60/1231608860.db2.gz BWRHIPAQUSAAAI-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843273 1231726834 /nfs/dbraw/zinc/72/68/34/1231726834.db2.gz NTIGMKWAFDEQAY-HXUWFJFHSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268420 1231993921 /nfs/dbraw/zinc/99/39/21/1231993921.db2.gz CZVMYDDZFFSTCR-UYAOXDASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663319 1233892861 /nfs/dbraw/zinc/89/28/61/1233892861.db2.gz LTXIATJAHDJEMY-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H](C)F)CC1 ZINC001045896039 1234128170 /nfs/dbraw/zinc/12/81/70/1234128170.db2.gz SYFHOXXMUVMFCO-QRQLOZEOSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@@H+](CC)C3)C2)CC1 ZINC001045986152 1234282167 /nfs/dbraw/zinc/28/21/67/1234282167.db2.gz IMTSTHFSOVLNEH-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265704 1235778749 /nfs/dbraw/zinc/77/87/49/1235778749.db2.gz VRUZPNDKGFYCCU-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001048558585 1237960797 /nfs/dbraw/zinc/96/07/97/1237960797.db2.gz YGEBRAMBYNXPNR-RDGPPVDQSA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482317 1241088644 /nfs/dbraw/zinc/08/86/44/1241088644.db2.gz MLXQRKOBDKJDJO-FPCVCCKLSA-N 2 0 325.884 2.144 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568402 1241452988 /nfs/dbraw/zinc/45/29/88/1241452988.db2.gz VKQBMDFVKNLWRQ-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909811 1242659439 /nfs/dbraw/zinc/65/94/39/1242659439.db2.gz CRHMILJRYRVYNN-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050121716 1242925363 /nfs/dbraw/zinc/92/53/63/1242925363.db2.gz DQWHTJWOGKVRPA-GBESFXJTSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523750 1243778727 /nfs/dbraw/zinc/77/87/27/1243778727.db2.gz IRPMXCZTALUVLC-JKSUJKDBSA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686822 1244127042 /nfs/dbraw/zinc/12/70/42/1244127042.db2.gz CMXJFDHVBRYNBQ-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001050731995 1244238358 /nfs/dbraw/zinc/23/83/58/1244238358.db2.gz ZGAWJTGXEXXUDW-UHFFFAOYSA-N 2 0 328.460 2.262 20 30 EEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097854038 1244689831 /nfs/dbraw/zinc/68/98/31/1244689831.db2.gz SWLKYKBHJJYLKH-JEWRLFTDSA-N 2 0 337.483 2.497 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C(C)(C)C[NH2+]CC)CC2)CC1 ZINC001101596318 1246004522 /nfs/dbraw/zinc/00/45/22/1246004522.db2.gz SKXCDPRFJFPBAW-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)O2 ZINC001053621598 1246545165 /nfs/dbraw/zinc/54/51/65/1246545165.db2.gz IKTMHWFKMBKLRI-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646707 1246584738 /nfs/dbraw/zinc/58/47/38/1246584738.db2.gz CRPGBKVRVFWQEB-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253440 1246774604 /nfs/dbraw/zinc/77/46/04/1246774604.db2.gz DIJZUQZVFNBZFZ-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438980 1247286185 /nfs/dbraw/zinc/28/61/85/1247286185.db2.gz FVSQZJGSRQFSIW-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676507 1254496600 /nfs/dbraw/zinc/49/66/00/1254496600.db2.gz MNHIQVMYOLEEBI-CVEARBPZSA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072849329 1255430166 /nfs/dbraw/zinc/43/01/66/1255430166.db2.gz ACSOZNAEIYSYJK-HZPDHXFCSA-N 2 0 337.895 2.290 20 30 EEEDRP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC2(CCOCC2)C1 ZINC001099598722 1258246865 /nfs/dbraw/zinc/24/68/65/1258246865.db2.gz KYHCTQYYJSZJJS-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001101024838 1259577052 /nfs/dbraw/zinc/57/70/52/1259577052.db2.gz IOYSPXCEUPJHHP-ZJRDLVKKSA-N 2 0 347.547 2.498 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001185609772 1278716790 /nfs/dbraw/zinc/71/67/90/1278716790.db2.gz OOYKPYBDWYDXRX-RTBURBONSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245524 1282956203 /nfs/dbraw/zinc/95/62/03/1282956203.db2.gz BTDUJVNMEOYGAL-SFHVURJKSA-N 2 0 345.487 2.097 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001196970446 1284363174 /nfs/dbraw/zinc/36/31/74/1284363174.db2.gz FSBQJXRFVLEBQO-UHFFFAOYSA-N 2 0 346.450 2.073 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071106406 1286785736 /nfs/dbraw/zinc/78/57/36/1286785736.db2.gz IJNIFEWQLNXSJQ-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391124 1289556912 /nfs/dbraw/zinc/55/69/12/1289556912.db2.gz XVGULKULZAZORA-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP CC[NH+](CC)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000852858885 1292217523 /nfs/dbraw/zinc/21/75/23/1292217523.db2.gz KAHODVSGGFJJTF-HXUWFJFHSA-N 2 0 341.499 2.059 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001072094526 1295234830 /nfs/dbraw/zinc/23/48/30/1295234830.db2.gz AMEXLAZAUXMZIF-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001211267511 1295786984 /nfs/dbraw/zinc/78/69/84/1295786984.db2.gz BQRXVXNAGBUKFP-QGZVFWFLSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001218840287 1297825702 /nfs/dbraw/zinc/82/57/02/1297825702.db2.gz UNNRKCDFYFBVCH-LBPRGKRZSA-N 2 0 344.337 2.112 20 30 EEEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218998189 1297900954 /nfs/dbraw/zinc/90/09/54/1297900954.db2.gz ZOXLXOHCLFXYNH-MJGOQNOKSA-N 2 0 334.423 2.144 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049396 1297917454 /nfs/dbraw/zinc/91/74/54/1297917454.db2.gz LYUOJXUZKOBHLS-CEXWTWQISA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099547247 1299207475 /nfs/dbraw/zinc/20/74/75/1299207475.db2.gz BMGGVMHOOVIPLB-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001227899864 1302002417 /nfs/dbraw/zinc/00/24/17/1302002417.db2.gz LAUYLINVXINDJF-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001227957140 1302026037 /nfs/dbraw/zinc/02/60/37/1302026037.db2.gz CJTZBOUKPSKWQF-VAMGGRTRSA-N 2 0 339.483 2.149 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085256 1302189881 /nfs/dbraw/zinc/18/98/81/1302189881.db2.gz NVXIBJLLODRIDO-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001229243744 1302694606 /nfs/dbraw/zinc/69/46/06/1302694606.db2.gz QNKDCMJXFYBXBF-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001103436321 1302959236 /nfs/dbraw/zinc/95/92/36/1302959236.db2.gz TUVHFLVITLKVLM-BPQIPLTHSA-N 2 0 344.503 2.404 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001230000837 1303012594 /nfs/dbraw/zinc/01/25/94/1303012594.db2.gz ZPZYLQCKBOCNGM-HXUWFJFHSA-N 2 0 327.472 2.067 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001230342472 1303171628 /nfs/dbraw/zinc/17/16/28/1303171628.db2.gz MTBZMDOVLRRKQY-UHFFFAOYSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCCCC)CC2)CC1 ZINC001230355051 1303175203 /nfs/dbraw/zinc/17/52/03/1303175203.db2.gz RHWFBWTWJIZUNE-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846337 1303497860 /nfs/dbraw/zinc/49/78/60/1303497860.db2.gz GCNJIFYADJHAJB-IEBWSBKVSA-N 2 0 344.503 2.164 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001111958768 1304108328 /nfs/dbraw/zinc/10/83/28/1304108328.db2.gz PWQVFQXIHIDKPE-IHPCNDPISA-N 2 0 331.504 2.409 20 30 EEEDRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCCC1 ZINC001115707903 1305643496 /nfs/dbraw/zinc/64/34/96/1305643496.db2.gz CFVQUDHWSBNUHM-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C[NH+]1CCN(c2ccc(-c3ncc4c(c3C#N)CCC[NH2+]C4)cc2)CC1 ZINC001240848067 1309414959 /nfs/dbraw/zinc/41/49/59/1309414959.db2.gz CZJKLACRZACSEC-UHFFFAOYSA-N 2 0 347.466 2.408 20 30 EEEDRP C#CC[NH2+]CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001121902740 1310169741 /nfs/dbraw/zinc/16/97/41/1310169741.db2.gz DYELBTFVTFGYMN-IAGOWNOFSA-N 2 0 327.472 2.004 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122328896 1310261588 /nfs/dbraw/zinc/26/15/88/1310261588.db2.gz YSLHMLGEUHSERP-ZWKOTPCHSA-N 2 0 332.492 2.155 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246304290 1310277179 /nfs/dbraw/zinc/27/71/79/1310277179.db2.gz LVSXWBIAKWLFQX-IRXDYDNUSA-N 2 0 337.508 2.258 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]CCCNCCC[NH3+])CC1 ZINC001246456709 1310316074 /nfs/dbraw/zinc/31/60/74/1310316074.db2.gz LWLLZHMPVIDMPY-UHFFFAOYSA-N 2 0 332.467 2.448 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202990696 1314794594 /nfs/dbraw/zinc/79/45/94/1314794594.db2.gz AKAOITBGYLRHLJ-GOSISDBHSA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299707 1316229803 /nfs/dbraw/zinc/22/98/03/1316229803.db2.gz RECFLDZWPLSHHX-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445758 1316829478 /nfs/dbraw/zinc/82/94/78/1316829478.db2.gz JGMUYPWHULBKES-QWFCFKBJSA-N 2 0 341.499 2.205 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374137 1317984318 /nfs/dbraw/zinc/98/43/18/1317984318.db2.gz KFGMGEIZKLXXHX-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC001158030573 1318977732 /nfs/dbraw/zinc/97/77/32/1318977732.db2.gz UTTNBCCKKLMEJG-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723554 1319400697 /nfs/dbraw/zinc/40/06/97/1319400697.db2.gz CYDNTLYFQYFLDD-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP N#Cc1cc(Nc2ccc(N3CCC([NH3+])CC3)nc2)cc(C2C[NH2+]C2)c1 ZINC001159321787 1319736536 /nfs/dbraw/zinc/73/65/36/1319736536.db2.gz RYKIPEAAWUXZMD-UHFFFAOYSA-N 2 0 348.454 2.311 20 30 EEEDRP N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159788137 1319990593 /nfs/dbraw/zinc/99/05/93/1319990593.db2.gz HZZSQYABZCOTOS-GFCCVEGCSA-N 2 0 325.750 2.474 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360852 1320144652 /nfs/dbraw/zinc/14/46/52/1320144652.db2.gz XMCZQOGALALRGR-LJQANCHMSA-N 2 0 331.504 2.411 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705155 1320594414 /nfs/dbraw/zinc/59/44/14/1320594414.db2.gz MJLNBHQEEPULSH-RTBURBONSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001163001716 1321010230 /nfs/dbraw/zinc/01/02/30/1321010230.db2.gz LZVROGKTQGGQPX-KDURUIRLSA-N 2 0 341.499 2.153 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C12CCC2 ZINC001203348490 1321868177 /nfs/dbraw/zinc/86/81/77/1321868177.db2.gz DPHKHPRAEZNING-ROUUACIJSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426450 1321878775 /nfs/dbraw/zinc/87/87/75/1321878775.db2.gz KRQFLPNEBJGMPP-MOPGFXCFSA-N 2 0 341.499 2.364 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507268 1321900278 /nfs/dbraw/zinc/90/02/78/1321900278.db2.gz PJCGSDYWHYSASF-MOPGFXCFSA-N 2 0 339.483 2.402 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001206308011 1323451874 /nfs/dbraw/zinc/45/18/74/1323451874.db2.gz ULEXGGJFXSHRRP-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865199 1323641709 /nfs/dbraw/zinc/64/17/09/1323641709.db2.gz BUSIENUIFNYAGX-NRFANRHFSA-N 2 0 341.499 2.315 20 30 EEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208604752 1324585471 /nfs/dbraw/zinc/58/54/71/1324585471.db2.gz SZGXIMHUQZRFQU-HKUYNNGSSA-N 2 0 335.492 2.439 20 30 EEEDRP C=CCCC[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001209164090 1324829559 /nfs/dbraw/zinc/82/95/59/1324829559.db2.gz SIIFGRUAIBGXPI-UHFFFAOYSA-N 2 0 334.552 2.129 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210811104 1325445369 /nfs/dbraw/zinc/44/53/69/1325445369.db2.gz JAKNFJJLSNJYQW-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CCNC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001325881811 1333983689 /nfs/dbraw/zinc/98/36/89/1333983689.db2.gz YPTXTMIQBRHLAQ-IHWFROFDSA-N 2 0 339.483 2.301 20 30 EEEDRP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001340207425 1337137834 /nfs/dbraw/zinc/13/78/34/1337137834.db2.gz PLEMRSMANAXJFX-SJORKVTESA-N 2 0 346.523 2.194 20 30 EEEDRP C#CC[C@@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC001574525556 1343679537 /nfs/dbraw/zinc/67/95/37/1343679537.db2.gz MTCXVDHOKOJPCQ-FQEVSTJZSA-N 2 0 338.455 2.287 20 30 EEEDRP C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC001574757364 1343697221 /nfs/dbraw/zinc/69/72/21/1343697221.db2.gz MYGGYOOIMKFHTN-LJQANCHMSA-N 2 0 349.482 2.180 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001388684117 1387641256 /nfs/dbraw/zinc/64/12/56/1387641256.db2.gz CBAQGSKNESBTSW-JKIFEVAISA-N 2 0 348.516 2.190 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953584 1369763666 /nfs/dbraw/zinc/76/36/66/1369763666.db2.gz QOMMMAOFYFKVMJ-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC=C(C)C)C2)CC1 ZINC001072096341 1370606178 /nfs/dbraw/zinc/60/61/78/1370606178.db2.gz XTFUEZTUQOWHOW-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001370172950 1374837603 /nfs/dbraw/zinc/83/76/03/1374837603.db2.gz XDNOUNHLYMZHNK-MOPGFXCFSA-N 2 0 342.487 2.129 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001376886237 1378831144 /nfs/dbraw/zinc/83/11/44/1378831144.db2.gz XHEKNJMKHSMSGV-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001377696426 1379452430 /nfs/dbraw/zinc/45/24/30/1379452430.db2.gz JGTMLIUYLFSAIW-HNNXBMFYSA-N 2 0 325.884 2.196 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001378905095 1380258785 /nfs/dbraw/zinc/25/87/85/1380258785.db2.gz PEFQAONIWCEWKQ-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379231189 1380645481 /nfs/dbraw/zinc/64/54/81/1380645481.db2.gz ZPDMOVPGRNENIS-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccccc2C#N)C1 ZINC001380969150 1381471252 /nfs/dbraw/zinc/47/12/52/1381471252.db2.gz YXLFPIXVPXULEJ-QGZVFWFLSA-N 2 0 342.487 2.180 20 30 EEEDRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001381483277 1381622431 /nfs/dbraw/zinc/62/24/31/1381622431.db2.gz QXSUFJINZWUASC-SFHVURJKSA-N 2 0 344.503 2.473 20 30 EEEDRP CC#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001752268818 1406251631 /nfs/dbraw/zinc/25/16/31/1406251631.db2.gz GYIOMKJNSDKEFC-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP CCCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccccc1C#N ZINC001391131444 1389060510 /nfs/dbraw/zinc/06/05/10/1389060510.db2.gz AMJCKADLZWOOPE-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001392014456 1389769426 /nfs/dbraw/zinc/76/94/26/1389769426.db2.gz OMWZGKCNVLXCNH-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001392195102 1389887885 /nfs/dbraw/zinc/88/78/85/1389887885.db2.gz ZGWLYSDUMFDZRN-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+]1CCCC1 ZINC001401675246 1397508634 /nfs/dbraw/zinc/50/86/34/1397508634.db2.gz TYUMOFYVGMHING-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)Cc1cccc(C#N)c1 ZINC001422565304 1400025200 /nfs/dbraw/zinc/02/52/00/1400025200.db2.gz SDQSHZIOHZFEOD-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001423672049 1400735211 /nfs/dbraw/zinc/73/52/11/1400735211.db2.gz BELVUDOURTWROQ-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP CC[C@@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001733953464 1406021624 /nfs/dbraw/zinc/02/16/24/1406021624.db2.gz QPOYFKZQTFZUSD-KVZIAJEVSA-N 2 0 345.462 2.002 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942444865 782441887 /nfs/dbraw/zinc/44/18/87/782441887.db2.gz QRNJBCIALURAFS-RDJZCZTQSA-N 2 0 339.443 2.284 20 30 EEEDRP C=CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001075390938 757892935 /nfs/dbraw/zinc/89/29/35/757892935.db2.gz RAZPJPNDXHZZPS-PKOBYXMFSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104368871 759836641 /nfs/dbraw/zinc/83/66/41/759836641.db2.gz NWKKEYLAYZVMDT-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972144 782671549 /nfs/dbraw/zinc/67/15/49/782671549.db2.gz OFSJMXJWGXTBHH-YDZRNGNQSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001105063992 768979728 /nfs/dbraw/zinc/97/97/28/768979728.db2.gz QCUVNKHMTVHZRI-IAGOWNOFSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067392 769132538 /nfs/dbraw/zinc/13/25/38/769132538.db2.gz VNTMHLNKBJXBJE-SJLPKXTDSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212651 783065753 /nfs/dbraw/zinc/06/57/53/783065753.db2.gz GCYNCNCVJMTJCY-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]2C1 ZINC001088217545 783072897 /nfs/dbraw/zinc/07/28/97/783072897.db2.gz MEXQXBPVSBRPNX-SJORKVTESA-N 2 0 343.471 2.149 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979997886 773685631 /nfs/dbraw/zinc/68/56/31/773685631.db2.gz GACOWJLIFJPAGM-FHWLQOOXSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255831 774198851 /nfs/dbraw/zinc/19/88/51/774198851.db2.gz PNYWIDFGYAZWGA-SLFFLAALSA-N 2 0 343.515 2.124 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094351 777424855 /nfs/dbraw/zinc/42/48/55/777424855.db2.gz XYCFBVJLGWTSHB-MOPGFXCFSA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981814248 778241426 /nfs/dbraw/zinc/24/14/26/778241426.db2.gz ZNQOSCNPILEKQP-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163812 779183443 /nfs/dbraw/zinc/18/34/43/779183443.db2.gz VEOQKFWHGJCMGP-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403654 780013490 /nfs/dbraw/zinc/01/34/90/780013490.db2.gz XWMUNJXUWMRIPM-NRSPTQNISA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087459919 780926773 /nfs/dbraw/zinc/92/67/73/780926773.db2.gz FIYQICUZEYUEEJ-BHIYHBOVSA-N 2 0 345.462 2.238 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001135436983 783766627 /nfs/dbraw/zinc/76/66/27/783766627.db2.gz IYLQWWKAIYBKOP-UHFFFAOYSA-N 2 0 336.505 2.338 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035197113 784030346 /nfs/dbraw/zinc/03/03/46/784030346.db2.gz ILYCSJRTVZDKDF-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193803 784083326 /nfs/dbraw/zinc/08/33/26/784083326.db2.gz PDDLDEZPWALNQP-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675581 784210177 /nfs/dbraw/zinc/21/01/77/784210177.db2.gz ITBZRHJGYDOQKM-IAGOWNOFSA-N 2 0 347.503 2.437 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744208 784352418 /nfs/dbraw/zinc/35/24/18/784352418.db2.gz XTFSMKGCCJPGML-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858206 784641561 /nfs/dbraw/zinc/64/15/61/784641561.db2.gz UZJOHPGAEVTSPV-ZIAGYGMSSA-N 2 0 336.505 2.334 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882902 784699940 /nfs/dbraw/zinc/69/99/40/784699940.db2.gz VMWXJDJDVUDBKK-QWHCGFSZSA-N 2 0 334.302 2.110 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977548 784927914 /nfs/dbraw/zinc/92/79/14/784927914.db2.gz VGSBEQUKPZDCEB-ZIAGYGMSSA-N 2 0 336.505 2.334 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997785812 791081765 /nfs/dbraw/zinc/08/17/65/791081765.db2.gz FDSHGCHHYBOGPP-HKUYNNGSSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000818606067 785320732 /nfs/dbraw/zinc/32/07/32/785320732.db2.gz BYBRUTSCETTXCT-IBGZPJMESA-N 2 0 327.472 2.112 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995946113 785849484 /nfs/dbraw/zinc/84/94/84/785849484.db2.gz GILPJHODIPLNEK-OLZOCXBDSA-N 2 0 346.313 2.062 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001036193345 785963938 /nfs/dbraw/zinc/96/39/38/785963938.db2.gz MLPPNPDFZRTRFN-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CC(C)C3)C(C)(C)C2)CC1 ZINC000996665313 787055684 /nfs/dbraw/zinc/05/56/84/787055684.db2.gz AZYRPIJCBZUBCH-FAFZWHIHSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442786 787253819 /nfs/dbraw/zinc/25/38/19/787253819.db2.gz PINLZARHBXDKHJ-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCN(C)c3cc[nH+]cc3)CCC[C@@H]12 ZINC001107457895 787288747 /nfs/dbraw/zinc/28/87/47/787288747.db2.gz VTGVAHBTKAGJRF-UYAOXDASSA-N 2 0 342.487 2.455 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001127066439 788306159 /nfs/dbraw/zinc/30/61/59/788306159.db2.gz OOTBRBXDTSJYEM-SFHVURJKSA-N 2 0 347.890 2.270 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171069690 788322874 /nfs/dbraw/zinc/32/28/74/788322874.db2.gz RWSDUSDCSHCTCV-SJORKVTESA-N 2 0 345.503 2.134 20 30 EEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997028364 788493113 /nfs/dbraw/zinc/49/31/13/788493113.db2.gz BHHVWIDRHGDGHG-UXHICEINSA-N 2 0 341.499 2.489 20 30 EEEDRP C[N@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000187055906 788535314 /nfs/dbraw/zinc/53/53/14/788535314.db2.gz HHCSOWJRQPKUFG-QGZVFWFLSA-N 2 0 332.517 2.261 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997277999 789521913 /nfs/dbraw/zinc/52/19/13/789521913.db2.gz CMOVZXGGRBWEPT-MJGOQNOKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000948825943 791309586 /nfs/dbraw/zinc/30/95/86/791309586.db2.gz ZKAZHXSGZMYESC-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592807 791362099 /nfs/dbraw/zinc/36/20/99/791362099.db2.gz LMKAAPXJRZFBCD-CVEARBPZSA-N 2 0 330.476 2.271 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F)CC1 ZINC001146611636 791374888 /nfs/dbraw/zinc/37/48/88/791374888.db2.gz NDGIEINPTGLCFE-ZIAGYGMSSA-N 2 0 347.425 2.157 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001147823364 791982057 /nfs/dbraw/zinc/98/20/57/791982057.db2.gz DQXQLNDFVYWUFJ-RDJZCZTQSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829275 791986349 /nfs/dbraw/zinc/98/63/49/791986349.db2.gz HJYFMSSDQODGCY-UHFFFAOYSA-N 2 0 328.460 2.018 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738434 792600789 /nfs/dbraw/zinc/60/07/89/792600789.db2.gz XTYFRPNDROMKSV-LMNJBCLMSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952442 793085871 /nfs/dbraw/zinc/08/58/71/793085871.db2.gz IRKQFXAOVMJXNU-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091777580 793287462 /nfs/dbraw/zinc/28/74/62/793287462.db2.gz ZHZXOCHFAMIRGV-MJGOQNOKSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@@H]12 ZINC000992353155 793776707 /nfs/dbraw/zinc/77/67/07/793776707.db2.gz RHHDJNFWBIDGHN-QUCCMNQESA-N 2 0 349.438 2.017 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992503254 794430638 /nfs/dbraw/zinc/43/06/38/794430638.db2.gz DSNQVMVMYMLKJC-PZJWPPBQSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502243 794435976 /nfs/dbraw/zinc/43/59/76/794435976.db2.gz BBEULVHARCPPND-TZIWHRDSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036737131 794694756 /nfs/dbraw/zinc/69/47/56/794694756.db2.gz MDODZAZGXOHBHW-GDBMZVCRSA-N 2 0 325.884 2.146 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106195641 795208555 /nfs/dbraw/zinc/20/85/55/795208555.db2.gz FYSLRMWYXCZQMY-GDBMZVCRSA-N 2 0 333.501 2.131 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCF)CC1 ZINC001110147102 795384461 /nfs/dbraw/zinc/38/44/61/795384461.db2.gz KNAHZVSLMGRCKU-QYZOEREBSA-N 2 0 349.494 2.193 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853967 795501015 /nfs/dbraw/zinc/50/10/15/795501015.db2.gz CBGAWVHNAWWOCY-DLBZAZTESA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537300 796369828 /nfs/dbraw/zinc/36/98/28/796369828.db2.gz WCHFKVAYJSCNDB-TZIWHRDSSA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112397117 796574327 /nfs/dbraw/zinc/57/43/27/796574327.db2.gz SYLCYSAHDLAOJR-NSHGMRRFSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078785316 797008888 /nfs/dbraw/zinc/00/88/88/797008888.db2.gz BIZLQLJPBFVFET-SJORKVTESA-N 2 0 328.460 2.354 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993818428 797047270 /nfs/dbraw/zinc/04/72/70/797047270.db2.gz FTIJAGRTJPSBKW-VQIMIIECSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001868992 797286884 /nfs/dbraw/zinc/28/68/84/797286884.db2.gz GNUDHYBVTYMVOF-UXHICEINSA-N 2 0 341.499 2.346 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649795 797835024 /nfs/dbraw/zinc/83/50/24/797835024.db2.gz JUIQYLTVRZGSGH-QGZVFWFLSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC000994492798 798090330 /nfs/dbraw/zinc/09/03/30/798090330.db2.gz BRELNFLENYIEGZ-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852221 798502222 /nfs/dbraw/zinc/50/22/22/798502222.db2.gz NDZBVCJMBJJMKL-IEBWSBKVSA-N 2 0 327.472 2.471 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)cc1F ZINC001176930026 798633064 /nfs/dbraw/zinc/63/30/64/798633064.db2.gz ASKUAMGTCYXSMG-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176986264 798675400 /nfs/dbraw/zinc/67/54/00/798675400.db2.gz JBQOBFZZNLFJRM-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894926 799678239 /nfs/dbraw/zinc/67/82/39/799678239.db2.gz OAWYUIXXOXZCAG-UHFFFAOYSA-N 2 0 330.476 2.197 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001179763966 800095962 /nfs/dbraw/zinc/09/59/62/800095962.db2.gz RSSPGLUZRCAWMB-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179892006 800142820 /nfs/dbraw/zinc/14/28/20/800142820.db2.gz MNINAGQFODPLCT-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001180259387 800335979 /nfs/dbraw/zinc/33/59/79/800335979.db2.gz FCWKNCGZHJMOTG-OAHLLOKOSA-N 2 0 348.516 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001085987054 801839584 /nfs/dbraw/zinc/83/95/84/801839584.db2.gz SGOILYIBHWLZIY-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCC2)CC1 ZINC001085984468 801849320 /nfs/dbraw/zinc/84/93/20/801849320.db2.gz DYTRIVXQFDVUAF-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004478685 802181590 /nfs/dbraw/zinc/18/15/90/802181590.db2.gz XIFBYQIDIDBVHE-IBGZPJMESA-N 2 0 336.439 2.284 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004549333 802352124 /nfs/dbraw/zinc/35/21/24/802352124.db2.gz XHBXTKVIKTXQHC-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086588762 808828426 /nfs/dbraw/zinc/82/84/26/808828426.db2.gz MYVSFUKZXZVIKL-VNTMZGSJSA-N 2 0 341.499 2.487 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086589257 808837772 /nfs/dbraw/zinc/83/77/72/808837772.db2.gz PLWWLDLOYFTBRZ-OQIJWPOYSA-N 2 0 327.472 2.097 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130399162 811610535 /nfs/dbraw/zinc/61/05/35/811610535.db2.gz OOTDORQRQCRUGF-DOTOQJQBSA-N 2 0 347.507 2.122 20 30 EEEDRP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001130447164 811654175 /nfs/dbraw/zinc/65/41/75/811654175.db2.gz XKXGPSONZJRRNU-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001437425331 1089712807 /nfs/dbraw/zinc/71/28/07/1089712807.db2.gz RGTLRSHUCSVJCK-KDOFPFPSSA-N 2 0 348.466 2.268 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001438753876 1091315300 /nfs/dbraw/zinc/31/53/00/1091315300.db2.gz NNWVOMQUHWXGBK-JKSUJKDBSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001445627709 1091420108 /nfs/dbraw/zinc/42/01/08/1091420108.db2.gz CADWXOQWTJKHQN-ZDUSSCGKSA-N 2 0 346.313 2.110 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001441015623 1094295378 /nfs/dbraw/zinc/29/53/78/1094295378.db2.gz APTKAUQPPPQXAA-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001442038800 1096247777 /nfs/dbraw/zinc/24/77/77/1096247777.db2.gz BFIQWEORAWOXRN-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001496364819 1100957899 /nfs/dbraw/zinc/95/78/99/1100957899.db2.gz URCSTJSFKQAXPB-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CCN(CC)C(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091537605 462886850 /nfs/dbraw/zinc/88/68/50/462886850.db2.gz RVHKFOSDQGMDMY-UHFFFAOYSA-N 2 0 332.492 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000068226276 463107329 /nfs/dbraw/zinc/10/73/29/463107329.db2.gz OJRUQNIGNPUOSH-UHFFFAOYSA-N 2 0 327.472 2.100 20 30 EEEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150783749 463427372 /nfs/dbraw/zinc/42/73/72/463427372.db2.gz LFETYJCGKAQXSF-NVXWUHKLSA-N 2 0 326.444 2.303 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000171739796 463916622 /nfs/dbraw/zinc/91/66/22/463916622.db2.gz YHMNMHJSGFNJKC-UHFFFAOYSA-N 2 0 336.524 2.400 20 30 EEEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cc(F)ccc1F ZINC000262311597 463999580 /nfs/dbraw/zinc/99/95/80/463999580.db2.gz STFSWRJHSGEUNE-UHFFFAOYSA-N 2 0 338.402 2.336 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000290869361 464135354 /nfs/dbraw/zinc/13/53/54/464135354.db2.gz AUNAAFXONKRCAV-JKSUJKDBSA-N 2 0 347.482 2.041 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174244560 464383183 /nfs/dbraw/zinc/38/31/83/464383183.db2.gz DMJWSKHHLCCKJX-KRWDZBQOSA-N 2 0 334.508 2.154 20 30 EEEDRP CC1CCN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190527987 464668617 /nfs/dbraw/zinc/66/86/17/464668617.db2.gz DJIKNOGFIJDABO-IBGZPJMESA-N 2 0 344.503 2.324 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])N(C)C3CC3)CC2)c1 ZINC000273330096 464711811 /nfs/dbraw/zinc/71/18/11/464711811.db2.gz JIPDIZSAGKSWKY-UHFFFAOYSA-N 2 0 343.519 2.306 20 30 EEEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203553 464737329 /nfs/dbraw/zinc/73/73/29/464737329.db2.gz LNIHODBJPBMHBR-ZWKOTPCHSA-N 2 0 327.476 2.266 20 30 EEEDRP C#CCOc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000265947137 464745524 /nfs/dbraw/zinc/74/55/24/464745524.db2.gz LGIAJLIAPWORFO-UHFFFAOYSA-N 2 0 345.487 2.044 20 30 EEEDRP C=CCC(CC=C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268175078 464957740 /nfs/dbraw/zinc/95/77/40/464957740.db2.gz JYLUGGPHPPFYNK-UHFFFAOYSA-N 2 0 342.487 2.478 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000358794314 465327551 /nfs/dbraw/zinc/32/75/51/465327551.db2.gz GOJDENXLRHVYOQ-UHFFFAOYSA-N 2 0 336.524 2.448 20 30 EEEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OCCCC#N)c1 ZINC000349318976 466063087 /nfs/dbraw/zinc/06/30/87/466063087.db2.gz SIMFXCFIMKIMMH-UHFFFAOYSA-N 2 0 344.503 2.438 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000340962796 466470227 /nfs/dbraw/zinc/47/02/27/466470227.db2.gz SVIOCGXGGLNDLF-FGTMMUONSA-N 2 0 336.524 2.467 20 30 EEEDRP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000424176385 466996900 /nfs/dbraw/zinc/99/69/00/466996900.db2.gz RGNNTEVUVWMTRV-NZSAHSFTSA-N 2 0 342.487 2.424 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C#N)ccc2OC)CC1 ZINC000451993863 467297474 /nfs/dbraw/zinc/29/74/74/467297474.db2.gz VEJXZSRLZQXSHS-UHFFFAOYSA-N 2 0 330.476 2.073 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113445 468144745 /nfs/dbraw/zinc/14/47/45/468144745.db2.gz ZLFIQMSZARVLCZ-RTBURBONSA-N 2 0 345.487 2.060 20 30 EEEDRP C=C(C)COc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1OC ZINC000105465732 526660633 /nfs/dbraw/zinc/66/06/33/526660633.db2.gz ZQXXPURFLMYAPS-KRWDZBQOSA-N 2 0 347.503 2.376 20 30 EEEDRP C=C(C)COc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1OC ZINC000106485683 526662241 /nfs/dbraw/zinc/66/22/41/526662241.db2.gz RRGNGRYMLAGRGI-QGZVFWFLSA-N 2 0 347.503 2.376 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227315 782174040 /nfs/dbraw/zinc/17/40/40/782174040.db2.gz GCFUHRQAUBREAE-HKUYNNGSSA-N 2 0 331.504 2.006 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411600 577720824 /nfs/dbraw/zinc/72/08/24/577720824.db2.gz AQRKMFGDLPNTEX-RTBURBONSA-N 2 0 331.460 2.024 20 30 EEEDRP C#CCOc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000754066321 577799573 /nfs/dbraw/zinc/79/95/73/577799573.db2.gz CRXYNXQMRGXFDD-UHFFFAOYSA-N 2 0 336.439 2.458 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682543 676338398 /nfs/dbraw/zinc/33/83/98/676338398.db2.gz RHAIRVWNMVYGLA-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692302 676350366 /nfs/dbraw/zinc/35/03/66/676350366.db2.gz SZXYXRJKTAASGF-PMACEKPBSA-N 2 0 339.483 2.308 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023125715 679135011 /nfs/dbraw/zinc/13/50/11/679135011.db2.gz VYXRDONZPWBCJG-FDCRZUCXSA-N 2 0 340.471 2.168 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411821 679296192 /nfs/dbraw/zinc/29/61/92/679296192.db2.gz JQXMNGFIYXXLDG-PKOBYXMFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671965 679467707 /nfs/dbraw/zinc/46/77/07/679467707.db2.gz PXYAGQDYJZLFBA-INIZCTEOSA-N 2 0 339.443 2.285 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000176989591 679794396 /nfs/dbraw/zinc/79/43/96/679794396.db2.gz CRUINUNZXSBZRX-MRXNPFEDSA-N 2 0 330.476 2.093 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001024162177 679828890 /nfs/dbraw/zinc/82/88/90/679828890.db2.gz SFJIIHGFCUJWNP-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833840 681358357 /nfs/dbraw/zinc/35/83/57/681358357.db2.gz QLRDYLAEBZHBDY-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CC2)CC1 ZINC001024813342 681466438 /nfs/dbraw/zinc/46/64/38/681466438.db2.gz ZQGGXGJUUSFOFJ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623690 681817677 /nfs/dbraw/zinc/81/76/77/681817677.db2.gz LGVWNSLCJMSYNT-YSIASYRMSA-N 2 0 331.504 2.053 20 30 EEEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261948802 682560320 /nfs/dbraw/zinc/56/03/20/682560320.db2.gz GRSIKDARQPFUQU-FUHWJXTLSA-N 3 0 346.523 2.216 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453370 682793865 /nfs/dbraw/zinc/79/38/65/682793865.db2.gz QSHNQEHOVKURCU-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001025630811 683168693 /nfs/dbraw/zinc/16/86/93/683168693.db2.gz WSLBGJWGIAFVOT-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025630732 683168823 /nfs/dbraw/zinc/16/88/23/683168823.db2.gz VKHULFCFKQSWDM-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC000992704642 683282865 /nfs/dbraw/zinc/28/28/65/683282865.db2.gz CHTJSYCYXONFOL-HYVNUMGLSA-N 2 0 339.911 2.440 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC000992859280 683608368 /nfs/dbraw/zinc/60/83/68/683608368.db2.gz ODIVZYOYWHOXNW-HYVNUMGLSA-N 2 0 328.460 2.164 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)CC1 ZINC001026609232 684787258 /nfs/dbraw/zinc/78/72/58/684787258.db2.gz CDXDZYLPDGKCKX-UHFFFAOYSA-N 2 0 331.504 2.149 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027044576 685739347 /nfs/dbraw/zinc/73/93/47/685739347.db2.gz ZKVSXDXHHYCCFY-VQIMIIECSA-N 2 0 342.487 2.083 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(OC)cc1 ZINC000303974529 686961822 /nfs/dbraw/zinc/96/18/22/686961822.db2.gz HYVSYZDPZQXTEA-MRXNPFEDSA-N 2 0 332.492 2.361 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC000985602595 687299054 /nfs/dbraw/zinc/29/90/54/687299054.db2.gz GDXITZBZSIOSDO-INIZCTEOSA-N 2 0 330.476 2.253 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979120840 694199101 /nfs/dbraw/zinc/19/91/01/694199101.db2.gz UMRLULDTOORAOY-OSYLJGHBSA-N 2 0 331.460 2.215 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC3CCCCC3)C2)CC1 ZINC001032207235 1193086204 /nfs/dbraw/zinc/08/62/04/1193086204.db2.gz IRURSCFMMUYWSH-UHFFFAOYSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)CC1 ZINC001752500659 1181893584 /nfs/dbraw/zinc/89/35/84/1181893584.db2.gz XIOQRCBLLOTDLM-IBGZPJMESA-N 2 0 331.504 2.006 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112193392 1186717226 /nfs/dbraw/zinc/71/72/26/1186717226.db2.gz YCHUAFCLXBEFCH-RRFJBIMHSA-N 2 0 347.425 2.273 20 30 EEEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001105446611 1187200217 /nfs/dbraw/zinc/20/02/17/1187200217.db2.gz PQSHJFMAKFQYPW-TYKWCNGQSA-N 2 0 341.499 2.465 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+](C)CCC)CCO2 ZINC001105485333 1188102354 /nfs/dbraw/zinc/10/23/54/1188102354.db2.gz CKRORYMXBHNLOH-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484571296 1191424401 /nfs/dbraw/zinc/42/44/01/1191424401.db2.gz RSMVNWRTCCYCHU-SHTZXODSSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[C@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001485096134 1191654349 /nfs/dbraw/zinc/65/43/49/1191654349.db2.gz QPOYFKZQTFZUSD-NKELODKYSA-N 2 0 345.462 2.002 20 30 EEEDRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273101239 1194385529 /nfs/dbraw/zinc/38/55/29/1194385529.db2.gz QIFJHZVLANWZOW-IAGOWNOFSA-N 2 0 332.492 2.087 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001033934997 1195544143 /nfs/dbraw/zinc/54/41/43/1195544143.db2.gz BAHGIZVDTDJLAQ-AEFFLSMTSA-N 2 0 330.476 2.253 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005504512 1195745593 /nfs/dbraw/zinc/74/55/93/1195745593.db2.gz SQVUUDRUWFNSSY-IBGZPJMESA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241142 1195991711 /nfs/dbraw/zinc/99/17/11/1195991711.db2.gz PBYFHNQHPROMQQ-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)CC1 ZINC001034795464 1196733044 /nfs/dbraw/zinc/73/30/44/1196733044.db2.gz GZAMBQYSFWEJBF-WGSAOQKQSA-N 2 0 331.504 2.149 20 30 EEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CCc3sccc3C2)CC1 ZINC001034798436 1196740910 /nfs/dbraw/zinc/74/09/10/1196740910.db2.gz HHULECQFGJXTCJ-WKILWMFISA-N 2 0 333.501 2.309 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409531 1199676526 /nfs/dbraw/zinc/67/65/26/1199676526.db2.gz AOVXCHFJZYITJL-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+]1CCCCCC1 ZINC001134750240 1199791095 /nfs/dbraw/zinc/79/10/95/1199791095.db2.gz QLLCGTKFAGRXSW-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950375 1200226899 /nfs/dbraw/zinc/22/68/99/1200226899.db2.gz MPIMCADMEACMTM-GDBMZVCRSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133012868 1200334769 /nfs/dbraw/zinc/33/47/69/1200334769.db2.gz VNDGRDZCXFSRHF-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCN1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000884103282 1202232924 /nfs/dbraw/zinc/23/29/24/1202232924.db2.gz GFOJFSNGYRJROY-IBGZPJMESA-N 2 0 346.519 2.038 20 30 EEEDRP C=CCCCC[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001274974818 1205223219 /nfs/dbraw/zinc/22/32/19/1205223219.db2.gz PBAWDLZZRUBJPD-IPMKNSEASA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723053 1208687009 /nfs/dbraw/zinc/68/70/09/1208687009.db2.gz PLJQJIYMUIBSGM-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766787 1209360977 /nfs/dbraw/zinc/36/09/77/1209360977.db2.gz OBBJDXZOYPGTEA-VQIMIIECSA-N 2 0 337.483 2.145 20 30 EEEDRP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948982432 1209487760 /nfs/dbraw/zinc/48/77/60/1209487760.db2.gz LIMVYADEUFQLEM-IBGZPJMESA-N 2 0 339.483 2.374 20 30 EEEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537866 1209907109 /nfs/dbraw/zinc/90/71/09/1209907109.db2.gz RTOBWJWXLNUXOU-MJGOQNOKSA-N 2 0 344.503 2.324 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC001114608008 1213136025 /nfs/dbraw/zinc/13/60/25/1213136025.db2.gz RQAKKAYSCRVXEE-PMOLBWCYSA-N 2 0 341.499 2.417 20 30 EEEDRP CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778917 1213905361 /nfs/dbraw/zinc/90/53/61/1213905361.db2.gz KCBSIQYKOGLOMA-RTBURBONSA-N 3 0 345.535 2.458 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568145 1215218795 /nfs/dbraw/zinc/21/87/95/1215218795.db2.gz FALVVFODDMODIX-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000957579746 1215226333 /nfs/dbraw/zinc/22/63/33/1215226333.db2.gz YVHKSUSEBDDWNU-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1ccccc1F ZINC000304667643 1216083494 /nfs/dbraw/zinc/08/34/94/1216083494.db2.gz BMKKDXZNZLVUTP-LSDHHAIUSA-N 2 0 336.455 2.372 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1cccc(Cl)c1 ZINC000304771368 1216104850 /nfs/dbraw/zinc/10/48/50/1216104850.db2.gz AAQPUYDKYYLAAZ-HZPDHXFCSA-N 2 0 338.883 2.416 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253610 1217112002 /nfs/dbraw/zinc/11/20/02/1217112002.db2.gz QYNAHFWOOYXZCT-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277536 1217124038 /nfs/dbraw/zinc/12/40/38/1217124038.db2.gz SZVHMSDFTJTDHO-ROUUACIJSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293307 1217132318 /nfs/dbraw/zinc/13/23/18/1217132318.db2.gz NVVGZEOERYYBQG-UXHICEINSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375763 1217163901 /nfs/dbraw/zinc/16/39/01/1217163901.db2.gz QIFIWCDQYZHTLH-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424644 1220501449 /nfs/dbraw/zinc/50/14/49/1220501449.db2.gz UFENXYMORHDHBI-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968851251 1221621750 /nfs/dbraw/zinc/62/17/50/1221621750.db2.gz PRDLUKYRXRXGBT-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008543331 1222917570 /nfs/dbraw/zinc/91/75/70/1222917570.db2.gz UWRXALFRYRAQSW-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016923032 1226973298 /nfs/dbraw/zinc/97/32/98/1226973298.db2.gz HILGILVHOVEVBF-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001019230125 1228897747 /nfs/dbraw/zinc/89/77/47/1228897747.db2.gz RNIRLTHFQCRASX-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054729786 1248944866 /nfs/dbraw/zinc/94/48/66/1248944866.db2.gz BZOIEORVJPICCC-BBRMVZONSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001019634038 1229224010 /nfs/dbraw/zinc/22/40/10/1229224010.db2.gz HRZYOOUKJMNFBX-FUHWJXTLSA-N 2 0 335.879 2.406 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039132590 1230341414 /nfs/dbraw/zinc/34/14/14/1230341414.db2.gz AJZZPMQXBKYSBU-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133324 1230342621 /nfs/dbraw/zinc/34/26/21/1230342621.db2.gz GTKSATYGGSICAG-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141320 1230357189 /nfs/dbraw/zinc/35/71/89/1230357189.db2.gz VFZDPFLSAYNALC-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173472 1230398960 /nfs/dbraw/zinc/39/89/60/1230398960.db2.gz XJAFPNXOQVEHKS-IRXDYDNUSA-N 2 0 339.911 2.251 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173470 1230399486 /nfs/dbraw/zinc/39/94/86/1230399486.db2.gz XJAFPNXOQVEHKS-DLBZAZTESA-N 2 0 339.911 2.251 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224908 1230455933 /nfs/dbraw/zinc/45/59/33/1230455933.db2.gz KSMMDXBAURBPJL-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474304 1230638087 /nfs/dbraw/zinc/63/80/87/1230638087.db2.gz ASBMHMHYBREKHQ-MSOLQXFVSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=C)C)C3)CC1 ZINC001040543322 1231284722 /nfs/dbraw/zinc/28/47/22/1231284722.db2.gz ORTLAGAJENCERA-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040700032 1231340089 /nfs/dbraw/zinc/34/00/89/1231340089.db2.gz GPFRWDQCEUQDFD-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CC[C@@H](C)F)C3)C2)CC1 ZINC001041844328 1231727550 /nfs/dbraw/zinc/72/75/50/1231727550.db2.gz GVJVAYQYCQJCGA-XLIONFOSSA-N 2 0 349.494 2.004 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042111242 1231896273 /nfs/dbraw/zinc/89/62/73/1231896273.db2.gz IDVKQHWZQGIFBH-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC(=C)C)[C@@H]3C2)CC1 ZINC001042369463 1232050835 /nfs/dbraw/zinc/05/08/35/1232050835.db2.gz YJTAEXLPRJJXMK-UYAOXDASSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCC3CC3)CC2)CC1 ZINC001045646358 1233879795 /nfs/dbraw/zinc/87/97/95/1233879795.db2.gz HEPYUDTZFNNYEE-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949570 1234214347 /nfs/dbraw/zinc/21/43/47/1234214347.db2.gz JVRDEOCNEUIBME-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964568 1234242247 /nfs/dbraw/zinc/24/22/47/1234242247.db2.gz KTYLDOBJXKZOPH-QUCCMNQESA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046625285 1235008441 /nfs/dbraw/zinc/00/84/41/1235008441.db2.gz GUSLDXOBCHZNRC-HXUWFJFHSA-N 2 0 327.472 2.008 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226776 1235701022 /nfs/dbraw/zinc/70/10/22/1235701022.db2.gz XHYHFWUGZQIJTA-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC001047246951 1235742921 /nfs/dbraw/zinc/74/29/21/1235742921.db2.gz CKVDLMYQBYLMQI-LJQANCHMSA-N 2 0 342.487 2.247 20 30 EEEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047266234 1235779357 /nfs/dbraw/zinc/77/93/57/1235779357.db2.gz UHLNUSSPTZKGOR-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001000315801 1240163027 /nfs/dbraw/zinc/16/30/27/1240163027.db2.gz CFIPRMXGRYDSES-UHFFFAOYSA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001353338 1242117646 /nfs/dbraw/zinc/11/76/46/1242117646.db2.gz GBLJFMJENDJXSS-LJQANCHMSA-N 2 0 331.504 2.413 20 30 EEEDRP C=CCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001354311 1242118816 /nfs/dbraw/zinc/11/88/16/1242118816.db2.gz OJEFHVLZZZSOTM-UHFFFAOYSA-N 2 0 331.504 2.433 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCC)CC1 ZINC001049909734 1242656481 /nfs/dbraw/zinc/65/64/81/1242656481.db2.gz CBUVCYCDGOXLJQ-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913455 1242675458 /nfs/dbraw/zinc/67/54/58/1242675458.db2.gz YFDXIRYMRYCJIP-WOJBJXKFSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913586 1242678920 /nfs/dbraw/zinc/67/89/20/1242678920.db2.gz DDMBRQBHIKZUBX-GUDVDZBRSA-N 2 0 331.504 2.195 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001050543434 1243814781 /nfs/dbraw/zinc/81/47/81/1243814781.db2.gz CZNBDYKXVPWLKW-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051191 1245773179 /nfs/dbraw/zinc/77/31/79/1245773179.db2.gz KSLCYKVSXCZHBA-RBUKOAKNSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCCCC)C[C@@]3(C)C2)CC1 ZINC001101474372 1245879352 /nfs/dbraw/zinc/87/93/52/1245879352.db2.gz WJOVYZQEOPGCGE-CTNGQTDRSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099896 1245904220 /nfs/dbraw/zinc/90/42/20/1245904220.db2.gz BYZSIPHYXWBZGP-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099889 1245905019 /nfs/dbraw/zinc/90/50/19/1245905019.db2.gz BYZSIPHYXWBZGP-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053674154 1246626510 /nfs/dbraw/zinc/62/65/10/1246626510.db2.gz JRTFJGLIQLQJKO-MSOLQXFVSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)O2 ZINC001053701400 1246678993 /nfs/dbraw/zinc/67/89/93/1246678993.db2.gz USYUYMYWUMPVJN-ROUUACIJSA-N 2 0 349.519 2.177 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254716 1246779979 /nfs/dbraw/zinc/77/99/79/1246779979.db2.gz OJMSLYGVNBJGMV-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099665 1254930185 /nfs/dbraw/zinc/93/01/85/1254930185.db2.gz VJQJIFHYCRQFDM-SJLPKXTDSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099552899 1258201956 /nfs/dbraw/zinc/20/19/56/1258201956.db2.gz QDWYCDWVLUXTJA-MANSERQUSA-N 2 0 333.520 2.462 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100769338 1259238420 /nfs/dbraw/zinc/23/84/20/1259238420.db2.gz FLBPXMBQKZJUMA-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001100829951 1259312151 /nfs/dbraw/zinc/31/21/51/1259312151.db2.gz UEKSVBZLPOJDQL-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299271 1278316632 /nfs/dbraw/zinc/31/66/32/1278316632.db2.gz VDDVXNTVVZUKFS-CHWSQXEVSA-N 2 0 346.313 2.110 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709871 1278760334 /nfs/dbraw/zinc/76/03/34/1278760334.db2.gz NIWNHMXPYMKBPH-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044449 1287270691 /nfs/dbraw/zinc/27/06/91/1287270691.db2.gz WFAWDKGTPHQMPS-SFHVURJKSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644718 1280991993 /nfs/dbraw/zinc/99/19/93/1280991993.db2.gz KQYNBKMDVDPKGY-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C#Cc1cccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001273800809 1285990414 /nfs/dbraw/zinc/99/04/14/1285990414.db2.gz WNEFJNIYYKUKSP-OAQYLSRUSA-N 2 0 339.483 2.187 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001211268611 1295788851 /nfs/dbraw/zinc/78/88/51/1295788851.db2.gz KFBPPTDFHYOYSH-IBGZPJMESA-N 2 0 345.462 2.098 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001219027744 1297910751 /nfs/dbraw/zinc/91/07/51/1297910751.db2.gz AQYOBPNOTDWHFE-QGZVFWFLSA-N 2 0 336.395 2.069 20 30 EEEDRP N#Cc1ccc(NC(=O)c2ccc([C@@H](N)C[NH3+])cc2)c2cccnc12 ZINC001219467474 1298032284 /nfs/dbraw/zinc/03/22/84/1298032284.db2.gz JFMGDRZXOPOKGW-INIZCTEOSA-N 2 0 331.379 2.317 20 30 EEEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220664177 1298493174 /nfs/dbraw/zinc/49/31/74/1298493174.db2.gz YLLGITZBUGYLIK-NVXWUHKLSA-N 2 0 343.471 2.303 20 30 EEEDRP C#CCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979726 1300639527 /nfs/dbraw/zinc/63/95/27/1300639527.db2.gz LUXATMOZXXXSAR-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507031 1301159371 /nfs/dbraw/zinc/15/93/71/1301159371.db2.gz MMTKBGBOEZLGHO-HLIPFELVSA-N 2 0 329.488 2.334 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001230354721 1303175489 /nfs/dbraw/zinc/17/54/89/1303175489.db2.gz JYUXBXDNHJZYTP-AATRIKPKSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230784135 1303455867 /nfs/dbraw/zinc/45/58/67/1303455867.db2.gz XPHVFSYTAOEFRW-GOSISDBHSA-N 2 0 332.492 2.306 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230898700 1303532041 /nfs/dbraw/zinc/53/20/41/1303532041.db2.gz MDKYCCGTFRGVFH-SFHVURJKSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001112208625 1304334719 /nfs/dbraw/zinc/33/47/19/1304334719.db2.gz WILISUXLIYXSFA-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP C[C@H](CO)C[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277998597 1305638587 /nfs/dbraw/zinc/63/85/87/1305638587.db2.gz NDGLMJALQHNTRV-KRWDZBQOSA-N 2 0 344.503 2.203 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115766114 1305749009 /nfs/dbraw/zinc/74/90/09/1305749009.db2.gz WDKIFTNZBDSOER-MRXNPFEDSA-N 2 0 348.491 2.200 20 30 EEEDRP C[NH+]1CCN(c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)nc2)CC1 ZINC001240360901 1309313631 /nfs/dbraw/zinc/31/36/31/1309313631.db2.gz JKZSSKZSIVWGLQ-UHFFFAOYSA-N 2 0 333.439 2.059 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001246305425 1310276563 /nfs/dbraw/zinc/27/65/63/1310276563.db2.gz RKKGPKLPDISHEF-IPQPSQTFSA-N 3 0 349.519 2.208 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001160866297 1320296412 /nfs/dbraw/zinc/29/64/12/1320296412.db2.gz AMPYTYPYFBGDDG-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001150452556 1316268147 /nfs/dbraw/zinc/26/81/47/1316268147.db2.gz GITRWYUSUQZAAX-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)C[NH+](CC)CC)CC1 ZINC001151363051 1316513495 /nfs/dbraw/zinc/51/34/95/1316513495.db2.gz MGYXPIGCZIWEGN-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC001152471999 1316676422 /nfs/dbraw/zinc/67/64/22/1316676422.db2.gz PLTSWWZOLYAWAQ-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823913 1316892665 /nfs/dbraw/zinc/89/26/65/1316892665.db2.gz DMVYVXWNGNSBCO-BEFAXECRSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226863 1317510990 /nfs/dbraw/zinc/51/09/90/1317510990.db2.gz PKMVAPSEIBNMAH-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP C=CCOC[C@@H](O)C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001252470148 1317610389 /nfs/dbraw/zinc/61/03/89/1317610389.db2.gz HREJOHWRXYBCIE-IBGZPJMESA-N 2 0 330.472 2.148 20 30 EEEDRP C=CCCCCCC[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001253240199 1317806949 /nfs/dbraw/zinc/80/69/49/1317806949.db2.gz GPBVZBQYRAZRIF-IBGZPJMESA-N 2 0 325.541 2.443 20 30 EEEDRP CC[C@H](CC#N)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001255152559 1318304146 /nfs/dbraw/zinc/30/41/46/1318304146.db2.gz XMHUCFKKIASOGO-MSOLQXFVSA-N 2 0 342.487 2.083 20 30 EEEDRP C[NH+]1CCC(N(c2[nH]ccc3ncc(C#N)c2-3)C2CC[NH2+]CC2)CC1 ZINC001158589656 1319323164 /nfs/dbraw/zinc/32/31/64/1319323164.db2.gz VVTSUDCFEULOEY-UHFFFAOYSA-N 2 0 338.459 2.087 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161946973 1320689441 /nfs/dbraw/zinc/68/94/41/1320689441.db2.gz OTXQKEMKUDFXQZ-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001162856344 1320975680 /nfs/dbraw/zinc/97/56/80/1320975680.db2.gz BUQAULKLGYGCTE-UHFFFAOYSA-N 2 0 346.434 2.242 20 30 EEEDRP N#Cc1c2c(cnc1-n1cnc(-c3ccc(C[NH3+])cc3)c1)C[NH2+]CCC2 ZINC001163215352 1321068966 /nfs/dbraw/zinc/06/89/66/1321068966.db2.gz HSXJRSGHGULJJY-UHFFFAOYSA-N 2 0 344.422 2.300 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001163819801 1321225237 /nfs/dbraw/zinc/22/52/37/1321225237.db2.gz AMDWNKIFUMOZFO-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001163822110 1321225616 /nfs/dbraw/zinc/22/56/16/1321225616.db2.gz SHLMXBFLTDYMPY-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165332337 1321502438 /nfs/dbraw/zinc/50/24/38/1321502438.db2.gz HSOQPGNLUSFQED-OAHLLOKOSA-N 2 0 327.900 2.489 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)cc1C#N ZINC001276431057 1321998637 /nfs/dbraw/zinc/99/86/37/1321998637.db2.gz AJCVFBJRNSFYOG-LJQANCHMSA-N 2 0 342.487 2.364 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205391074 1323107903 /nfs/dbraw/zinc/10/79/03/1323107903.db2.gz LQZNPOPBYPPPPJ-OTWHNJEPSA-N 2 0 345.462 2.380 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001207761081 1324134447 /nfs/dbraw/zinc/13/44/47/1324134447.db2.gz GKCHIWNSBMMBPF-QIIPPGSGSA-N 2 0 330.476 2.226 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209221280 1324861383 /nfs/dbraw/zinc/86/13/83/1324861383.db2.gz AKZUCEFCSKTKCH-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952971 1325108659 /nfs/dbraw/zinc/10/86/59/1325108659.db2.gz RRVISFMJQIDYGW-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952969 1325109222 /nfs/dbraw/zinc/10/92/22/1325109222.db2.gz RRVISFMJQIDYGW-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210340955 1325246216 /nfs/dbraw/zinc/24/62/16/1325246216.db2.gz ZMMCCGYUYWUJFF-SJORKVTESA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001276685145 1325304664 /nfs/dbraw/zinc/30/46/64/1325304664.db2.gz VVEIIIUQRACDDQ-KDURUIRLSA-N 2 0 329.488 2.331 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685439 1325389297 /nfs/dbraw/zinc/38/92/97/1325389297.db2.gz VZPYGGMXAHHSLK-QGZVFWFLSA-N 2 0 327.513 2.116 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001210773375 1325425255 /nfs/dbraw/zinc/42/52/55/1325425255.db2.gz IARXFUAKPNDRLE-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001100465350 1338401361 /nfs/dbraw/zinc/40/13/61/1338401361.db2.gz REKRMXJQLDZULK-UHFFFAOYSA-N 2 0 330.476 2.359 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001100651996 1338599959 /nfs/dbraw/zinc/59/99/59/1338599959.db2.gz SZRISLHYBZRYFT-CTWPCTMYSA-N 2 0 342.487 2.129 20 30 EEEDRP N#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1F ZINC001580076475 1344467540 /nfs/dbraw/zinc/46/75/40/1344467540.db2.gz XYVOSMIDYUJHCN-HDICACEKSA-N 2 0 328.435 2.098 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148468 1368880868 /nfs/dbraw/zinc/88/08/68/1368880868.db2.gz VPMZPJCOVUNQAR-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C[N@H+](CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001100410024 1373037630 /nfs/dbraw/zinc/03/76/30/1373037630.db2.gz WWISPVUHMIVRIM-UHFFFAOYSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239069 1374141220 /nfs/dbraw/zinc/14/12/20/1374141220.db2.gz DNMAFUICRBLGQK-YOEHRIQHSA-N 2 0 348.516 2.334 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001367480448 1374176229 /nfs/dbraw/zinc/17/62/29/1374176229.db2.gz NEHXQTGMGNNFDV-SFHVURJKSA-N 2 0 342.487 2.130 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396022 1379203820 /nfs/dbraw/zinc/20/38/20/1379203820.db2.gz UJKQUHRUZJJKRL-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001378248624 1379819503 /nfs/dbraw/zinc/81/95/03/1379819503.db2.gz FOEQFEJXWYOCEW-QGZVFWFLSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001379049303 1380427324 /nfs/dbraw/zinc/42/73/24/1380427324.db2.gz QZRBNDKZZBBQHC-RBUKOAKNSA-N 2 0 344.503 2.375 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609365 1388697467 /nfs/dbraw/zinc/69/74/67/1388697467.db2.gz HLAZIFITIMBNKW-GJZGRUSLSA-N 2 0 348.516 2.479 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001392194682 1389885670 /nfs/dbraw/zinc/88/56/70/1389885670.db2.gz YJRVOGHWRGLQQA-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001752805645 1406424420 /nfs/dbraw/zinc/42/44/20/1406424420.db2.gz UYWOUHZQGQSVPG-SFHVURJKSA-N 2 0 341.499 2.256 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001393039532 1390290130 /nfs/dbraw/zinc/29/01/30/1390290130.db2.gz QSFIEPDGSDGCNZ-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001393645520 1390510821 /nfs/dbraw/zinc/51/08/21/1390510821.db2.gz ZINFWKMUEMOGFI-SFHVURJKSA-N 2 0 330.476 2.179 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752836910 1406467151 /nfs/dbraw/zinc/46/71/51/1406467151.db2.gz PYVGBZMPXILRLS-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507413 1397414441 /nfs/dbraw/zinc/41/44/41/1397414441.db2.gz XPVBFOUEJJUHSW-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001402434217 1397997913 /nfs/dbraw/zinc/99/79/13/1397997913.db2.gz RPNQBGCNQPVPGW-ZIAGYGMSSA-N 2 0 346.313 2.063 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001403271224 1399720436 /nfs/dbraw/zinc/72/04/36/1399720436.db2.gz WBAPPTGPAJWHLL-INIZCTEOSA-N 2 0 327.900 2.443 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H]1C ZINC001425885085 1401788920 /nfs/dbraw/zinc/78/89/20/1401788920.db2.gz HNBUDAVWBDMUBU-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515853 1403521369 /nfs/dbraw/zinc/52/13/69/1403521369.db2.gz AITGKINUKNPJFO-XLIONFOSSA-N 2 0 327.472 2.159 20 30 EEEDRP C#CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574517799 1403521993 /nfs/dbraw/zinc/52/19/93/1403521993.db2.gz QIJYPFVJIHCEKF-SLYNCCJLSA-N 2 0 339.483 2.159 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC#Cc2ccccc2)CCC1 ZINC001732327724 1405944424 /nfs/dbraw/zinc/94/44/24/1405944424.db2.gz OEWHDTHKMVFMJN-LJQANCHMSA-N 2 0 339.483 2.103 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001733921904 1406021172 /nfs/dbraw/zinc/02/11/72/1406021172.db2.gz CDUOKQQLNCHMRN-FQEVSTJZSA-N 2 0 341.499 2.349 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001755618350 1407686425 /nfs/dbraw/zinc/68/64/25/1407686425.db2.gz KHACPDCDWOQTLI-OAHLLOKOSA-N 2 0 347.528 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001755619257 1407686734 /nfs/dbraw/zinc/68/67/34/1407686734.db2.gz VATGRCLZDGSTCT-MSOLQXFVSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001755768665 1407828651 /nfs/dbraw/zinc/82/86/51/1407828651.db2.gz SRUAMHNRYWKYGN-UKRRQHHQSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840716 782352254 /nfs/dbraw/zinc/35/22/54/782352254.db2.gz KQNWYDCQKXNERK-RBUKOAKNSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001075410488 759377350 /nfs/dbraw/zinc/37/73/50/759377350.db2.gz CODAWNQOIOWLBA-ICSRJNTNSA-N 2 0 349.519 2.033 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001167628251 760774469 /nfs/dbraw/zinc/77/44/69/760774469.db2.gz YAPHJOHGLHTRIY-LJQANCHMSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475882 769632048 /nfs/dbraw/zinc/63/20/48/769632048.db2.gz CCSUUUCRXCKSRO-MRXNPFEDSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477012 769655625 /nfs/dbraw/zinc/65/56/25/769655625.db2.gz JCRPWDZJNOEXQP-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980167626 773993071 /nfs/dbraw/zinc/99/30/71/773993071.db2.gz FLKHOGPBVKXJDG-KSZLIROESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]Cc3ccccc3)C2)CC1 ZINC001091377624 790505577 /nfs/dbraw/zinc/50/55/77/790505577.db2.gz QORGFFYDRHOYNL-UHFFFAOYSA-N 2 0 339.483 2.016 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839007 777493910 /nfs/dbraw/zinc/49/39/10/777493910.db2.gz ODKHQMOHBJCDFV-LDTOTXGLSA-N 2 0 348.450 2.140 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653898 790551974 /nfs/dbraw/zinc/55/19/74/790551974.db2.gz UMKZBDQLBVJGBY-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813829 778239865 /nfs/dbraw/zinc/23/98/65/778239865.db2.gz RXPRLKDIOLIWEL-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001105394438 781791538 /nfs/dbraw/zinc/79/15/38/781791538.db2.gz XANAEXXFYKMNOW-SFHVURJKSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481535 783837301 /nfs/dbraw/zinc/83/73/01/783837301.db2.gz VHZXRYAGLIFTRM-HOTGVXAUSA-N 2 0 327.513 2.040 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035216046 784139970 /nfs/dbraw/zinc/13/99/70/784139970.db2.gz RFLIMNMHUQYYSU-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824720 784533659 /nfs/dbraw/zinc/53/36/59/784533659.db2.gz WNNSZYLWROBBAD-IAGOWNOFSA-N 2 0 339.524 2.182 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858090 784640838 /nfs/dbraw/zinc/64/08/38/784640838.db2.gz SGFWSEGWPBMIGM-SJORKVTESA-N 2 0 347.478 2.392 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741393 785056256 /nfs/dbraw/zinc/05/62/56/785056256.db2.gz MKHVEIMHCQNULQ-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899409 785239048 /nfs/dbraw/zinc/23/90/48/785239048.db2.gz JVCAQGVHDYFLLQ-LBPRGKRZSA-N 2 0 334.767 2.104 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001036126111 785829393 /nfs/dbraw/zinc/82/93/93/785829393.db2.gz DPEXVUFOWVCJPB-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439328 787247380 /nfs/dbraw/zinc/24/73/80/787247380.db2.gz WDOGCVWVKGECTN-JFIYKMOQSA-N 2 0 339.911 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643821 787987862 /nfs/dbraw/zinc/98/78/62/787987862.db2.gz UHCSANLKDJGXAS-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC000996947606 788256692 /nfs/dbraw/zinc/25/66/92/788256692.db2.gz VRMXRTORXDFVPZ-UHFFFAOYSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161900 789574298 /nfs/dbraw/zinc/57/42/98/789574298.db2.gz RDRPXNGXBNZWMP-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089910079 789919058 /nfs/dbraw/zinc/91/90/58/789919058.db2.gz YZBFMESIPIYBRC-NXOAAHMSSA-N 2 0 337.895 2.004 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591877 791360201 /nfs/dbraw/zinc/36/02/01/791360201.db2.gz HUYVDUFIHHVQFH-IRXDYDNUSA-N 2 0 347.478 2.390 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591048 791360666 /nfs/dbraw/zinc/36/06/66/791360666.db2.gz FQKAOYJTYFFHLF-LSDHHAIUSA-N 2 0 348.466 2.410 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610147 791373100 /nfs/dbraw/zinc/37/31/00/791373100.db2.gz HWPOWCISFURLDN-SJORKVTESA-N 2 0 333.520 2.395 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000948040394 791889606 /nfs/dbraw/zinc/88/96/06/791889606.db2.gz PJCWTBHPTBTXSU-HUUCEWRRSA-N 2 0 346.500 2.185 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001147824710 791983087 /nfs/dbraw/zinc/98/30/87/791983087.db2.gz MTABBNDXWFVZTK-IEBWSBKVSA-N 2 0 345.462 2.003 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001148570540 792509592 /nfs/dbraw/zinc/50/95/92/792509592.db2.gz GALDKUZAUMGSOV-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089928656 792575329 /nfs/dbraw/zinc/57/53/29/792575329.db2.gz LLRYFQDNQYVBQX-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992169866 793024834 /nfs/dbraw/zinc/02/48/34/793024834.db2.gz SLCIUPJJSBFLJH-FPOVZHCZSA-N 2 0 339.483 2.151 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212405819 793138660 /nfs/dbraw/zinc/13/86/60/793138660.db2.gz DSSQMCMWMUFTLP-GUDVDZBRSA-N 2 0 349.519 2.175 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189184 793143135 /nfs/dbraw/zinc/14/31/35/793143135.db2.gz MKVDULQPCWHZKI-NSISKUIASA-N 2 0 349.494 2.335 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992189183 793143263 /nfs/dbraw/zinc/14/32/63/793143263.db2.gz MKVDULQPCWHZKI-LSTHTHJFSA-N 2 0 349.494 2.335 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411535 793859390 /nfs/dbraw/zinc/85/93/90/793859390.db2.gz ATLDYPXAIBYHAT-KURKYZTESA-N 2 0 339.524 2.112 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001112540310 794131001 /nfs/dbraw/zinc/13/10/01/794131001.db2.gz POZQFJQGOUVWHB-DYXWJJEUSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676484 794221764 /nfs/dbraw/zinc/22/17/64/794221764.db2.gz AHLTWJLRPUJKGT-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816678 794378756 /nfs/dbraw/zinc/37/87/56/794378756.db2.gz CPJPNBZDQYUOHC-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717268 794610783 /nfs/dbraw/zinc/61/07/83/794610783.db2.gz SSASLDPRPZICEF-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093369754 795100184 /nfs/dbraw/zinc/10/01/84/795100184.db2.gz GJVKDFKWXXOFJP-BHIYHBOVSA-N 2 0 343.515 2.053 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093383997 795127370 /nfs/dbraw/zinc/12/73/70/795127370.db2.gz RTPCWCLIOLJSJZ-ZWKOTPCHSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC001093399983 795178651 /nfs/dbraw/zinc/17/86/51/795178651.db2.gz YAKOSIAOPILVLC-QPIRBTGLSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106196030 795209631 /nfs/dbraw/zinc/20/96/31/795209631.db2.gz RPJBVFVJIIUCLN-GDBMZVCRSA-N 2 0 333.501 2.131 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107998749 795346647 /nfs/dbraw/zinc/34/66/47/795346647.db2.gz QREOAANDCREGSF-UYAOXDASSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669161 796080435 /nfs/dbraw/zinc/08/04/35/796080435.db2.gz YUTIOXLJBWJMJT-UKRRQHHQSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161532 796537395 /nfs/dbraw/zinc/53/73/95/796537395.db2.gz IIAZBJNDZFRYNM-XWSJACJDSA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099271486 796596846 /nfs/dbraw/zinc/59/68/46/796596846.db2.gz WFSHDXQHXFQTDQ-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001171725008 796704909 /nfs/dbraw/zinc/70/49/09/796704909.db2.gz CSXOPZPKAHKZHZ-UHFFFAOYSA-N 2 0 333.451 2.005 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803359 797030202 /nfs/dbraw/zinc/03/02/02/797030202.db2.gz IUQOZABYFFRFBN-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)C[C@H]1C#N ZINC001172967091 797173737 /nfs/dbraw/zinc/17/37/37/797173737.db2.gz GCLFGEKPWFBKGS-CVEARBPZSA-N 2 0 336.480 2.354 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782680 797694359 /nfs/dbraw/zinc/69/43/59/797694359.db2.gz KYMICXNWOCRUJA-FVQBIDKESA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206245902 798075124 /nfs/dbraw/zinc/07/51/24/798075124.db2.gz LSISMIWFIPLKPV-SFHVURJKSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504683 798104150 /nfs/dbraw/zinc/10/41/50/798104150.db2.gz XWGLXKUVCIZRIK-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565133 798499099 /nfs/dbraw/zinc/49/90/99/798499099.db2.gz STYRXORLDNLFDS-QUCCMNQESA-N 2 0 341.499 2.254 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884340 798612904 /nfs/dbraw/zinc/61/29/04/798612904.db2.gz CPXBHQFHDGCPOJ-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001177340068 798873877 /nfs/dbraw/zinc/87/38/77/798873877.db2.gz ZFPVRUNZRJKQDU-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)COCC[NH+](C)C ZINC001177463231 798949965 /nfs/dbraw/zinc/94/99/65/798949965.db2.gz VEMBRNDJXBYRCT-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001179976083 800194183 /nfs/dbraw/zinc/19/41/83/800194183.db2.gz HNBUDAVWBDMUBU-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)CC1 ZINC001180204127 800308431 /nfs/dbraw/zinc/30/84/31/800308431.db2.gz HYTSHWVMJSWDKO-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001182168810 801047101 /nfs/dbraw/zinc/04/71/01/801047101.db2.gz CCUJIFPUPYFWJV-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001004200962 801251282 /nfs/dbraw/zinc/25/12/82/801251282.db2.gz HCSMJZAKKVZFFQ-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183040555 801436314 /nfs/dbraw/zinc/43/63/14/801436314.db2.gz SSZSOIVQZVETLW-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591106 801597129 /nfs/dbraw/zinc/59/71/29/801597129.db2.gz OCTFONDJIIKIAP-FCGDIQPGSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004460547 802129622 /nfs/dbraw/zinc/12/96/22/802129622.db2.gz ZUELVBLWEMCCMB-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004529213 802324064 /nfs/dbraw/zinc/32/40/64/802324064.db2.gz RCIJMZOYIONMFK-RBUKOAKNSA-N 2 0 346.519 2.335 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549286 802351328 /nfs/dbraw/zinc/35/13/28/802351328.db2.gz XDSIBZYDUCJLBW-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662989 802724331 /nfs/dbraw/zinc/72/43/31/802724331.db2.gz VFAQJFKUGFBXEZ-HDICACEKSA-N 2 0 336.439 2.142 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399456 805410434 /nfs/dbraw/zinc/41/04/34/805410434.db2.gz KPXLMMWDKXDYPI-RDGPPVDQSA-N 2 0 349.519 2.173 20 30 EEEDRP O=C(NCC[NH2+]CC#Cc1ccc(Cl)cc1)C12CCC[NH+]1CCC2 ZINC001130806015 812046563 /nfs/dbraw/zinc/04/65/63/812046563.db2.gz YMZBYQOMYKYWHO-UHFFFAOYSA-N 2 0 345.874 2.026 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)[NH+](C)C ZINC001436830857 1088442541 /nfs/dbraw/zinc/44/25/41/1088442541.db2.gz AMSIRKRBXASAFA-MOPGFXCFSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001437046755 1088927373 /nfs/dbraw/zinc/92/73/73/1088927373.db2.gz DINXZDQWLOUMSK-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001437988522 1090585151 /nfs/dbraw/zinc/58/51/51/1090585151.db2.gz PULZNXSAIAJKJP-MRXNPFEDSA-N 2 0 327.900 2.251 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553374 1091045664 /nfs/dbraw/zinc/04/56/64/1091045664.db2.gz QGNIMJWUXVEXFR-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959260 1091652084 /nfs/dbraw/zinc/65/20/84/1091652084.db2.gz HZAZWLFIIZOFNB-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001496598704 1101199744 /nfs/dbraw/zinc/19/97/44/1101199744.db2.gz ONWDNNZWDSMSJO-MRXNPFEDSA-N 2 0 348.516 2.192 20 30 EEEDRP O=C(NCCc1cn2c(n1)CCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329323501 539771709 /nfs/dbraw/zinc/77/17/09/539771709.db2.gz SALNVWIRQYXMNF-KRWDZBQOSA-N 2 0 345.491 2.236 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000080373751 217300166 /nfs/dbraw/zinc/30/01/66/217300166.db2.gz CIWCXQIHKQKOFR-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000491625620 246086350 /nfs/dbraw/zinc/08/63/50/246086350.db2.gz KQWITJBQMOXAND-KRWDZBQOSA-N 2 0 327.472 2.148 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000296526517 465222935 /nfs/dbraw/zinc/22/29/35/465222935.db2.gz ZXVSCSWUUKRLLM-UHFFFAOYSA-N 2 0 344.503 2.283 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000296936128 465240356 /nfs/dbraw/zinc/24/03/56/465240356.db2.gz PGXJJAOMRGEPCB-IBGZPJMESA-N 2 0 342.487 2.078 20 30 EEEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H](C)c1ccc(C)o1 ZINC000086335441 462569778 /nfs/dbraw/zinc/56/97/78/462569778.db2.gz YYHBKTLNMTVBBT-INIZCTEOSA-N 2 0 348.491 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000050024265 462984709 /nfs/dbraw/zinc/98/47/09/462984709.db2.gz XCNGIMJRKZWVOY-GOSISDBHSA-N 2 0 343.471 2.268 20 30 EEEDRP C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000262376433 464014125 /nfs/dbraw/zinc/01/41/25/464014125.db2.gz JPRGMHCICIQEAM-APWZRJJASA-N 2 0 326.488 2.409 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000264069233 464279483 /nfs/dbraw/zinc/27/94/83/464279483.db2.gz CSEIPBSNCCCNAH-QGZVFWFLSA-N 2 0 332.492 2.262 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264101481 464284148 /nfs/dbraw/zinc/28/41/48/464284148.db2.gz KZISORKQKIFMBX-UHFFFAOYSA-N 2 0 344.459 2.475 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000181338834 464474940 /nfs/dbraw/zinc/47/49/40/464474940.db2.gz WCTWUYIOHVBDLH-KRWDZBQOSA-N 2 0 344.503 2.457 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000267476429 464934488 /nfs/dbraw/zinc/93/44/88/464934488.db2.gz ZJDLKTHANLVLPN-OAHLLOKOSA-N 2 0 331.439 2.238 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000593918903 468433612 /nfs/dbraw/zinc/43/36/12/468433612.db2.gz KGTPBNAWWNMWKZ-ZWKOTPCHSA-N 2 0 340.471 2.156 20 30 EEEDRP Cc1nn(C)c(C)c1NC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000329939961 465479987 /nfs/dbraw/zinc/47/99/87/465479987.db2.gz FWZZXJYWRXMDBX-DOMZBBRYSA-N 2 0 330.436 2.405 20 30 EEEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330233456 465580558 /nfs/dbraw/zinc/58/05/58/465580558.db2.gz SCEOCOMDHTVDNB-KURKYZTESA-N 2 0 335.492 2.338 20 30 EEEDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OCC#N)cc1 ZINC000362031595 466499045 /nfs/dbraw/zinc/49/90/45/466499045.db2.gz CDZDNXVDLNHFAS-FUHWJXTLSA-N 2 0 342.487 2.408 20 30 EEEDRP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc1OCC[NH+]1CCCC1 ZINC000424148311 466990978 /nfs/dbraw/zinc/99/09/78/466990978.db2.gz UFIPFPYUROHYLM-KRWDZBQOSA-N 2 0 344.459 2.429 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424181654 466998281 /nfs/dbraw/zinc/99/82/81/466998281.db2.gz ROFNHILNEYBHSX-FUHWJXTLSA-N 2 0 328.460 2.131 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC000451997794 467299005 /nfs/dbraw/zinc/29/90/05/467299005.db2.gz ZWFIWROYDGVKNF-UHFFFAOYSA-N 2 0 344.503 2.333 20 30 EEEDRP COc1c(N)ncnc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594586877 468627938 /nfs/dbraw/zinc/62/79/38/468627938.db2.gz LGZIIEQMFXPEST-UHFFFAOYSA-N 2 0 338.415 2.016 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000592260336 468667208 /nfs/dbraw/zinc/66/72/08/468667208.db2.gz XDIIYUIKTHCWFZ-ZWKOTPCHSA-N 2 0 328.460 2.351 20 30 EEEDRP N#CC[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](CC#N)C3)COC2)C1 ZINC000595619823 468925933 /nfs/dbraw/zinc/92/59/33/468925933.db2.gz HDZJJHBZSMMANO-QZTJIDSGSA-N 2 0 330.476 2.254 20 30 EEEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000602501802 469340767 /nfs/dbraw/zinc/34/07/67/469340767.db2.gz TUWGLHADRUSKNQ-UHFFFAOYSA-N 2 0 336.439 2.200 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968435 469593765 /nfs/dbraw/zinc/59/37/65/469593765.db2.gz ZIJMLLCKMBYIGQ-DLBZAZTESA-N 2 0 334.508 2.126 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000649297078 470534994 /nfs/dbraw/zinc/53/49/94/470534994.db2.gz FTTNTTCRJGOKPQ-GJZGRUSLSA-N 2 0 329.435 2.046 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CN1CC[NH+](C)CC1 ZINC000105439393 534061805 /nfs/dbraw/zinc/06/18/05/534061805.db2.gz VLWLICFIHKEOGA-SFHVURJKSA-N 2 0 344.503 2.342 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cn2)CC1 ZINC000574005528 517948216 /nfs/dbraw/zinc/94/82/16/517948216.db2.gz QQKOQMDAFWHYNF-HXUWFJFHSA-N 2 0 347.466 2.482 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000763939803 577728220 /nfs/dbraw/zinc/72/82/20/577728220.db2.gz CEEVBLOCVKGWKF-GOSISDBHSA-N 2 0 331.460 2.066 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139216 675643173 /nfs/dbraw/zinc/64/31/73/675643173.db2.gz FRMGWRRJFDPRTG-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671657 676326990 /nfs/dbraw/zinc/32/69/90/676326990.db2.gz UWLLKQPNLMRTHQ-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000891520666 676683159 /nfs/dbraw/zinc/68/31/59/676683159.db2.gz OQXLRBVCGSLHSG-SFHVURJKSA-N 2 0 344.503 2.286 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022165749 676713185 /nfs/dbraw/zinc/71/31/85/676713185.db2.gz DVHWVKGVJVZGBI-JKIFEVAISA-N 2 0 346.500 2.231 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC000972574237 679332401 /nfs/dbraw/zinc/33/24/01/679332401.db2.gz XOMLPVCRBVLNMX-HKUYNNGSSA-N 2 0 346.475 2.104 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001026902064 685274061 /nfs/dbraw/zinc/27/40/61/685274061.db2.gz ZKVSXDXHHYCCFY-APWZRJJASA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001024618232 681285972 /nfs/dbraw/zinc/28/59/72/681285972.db2.gz RTJISMLWQIPDSQ-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001024900788 681557416 /nfs/dbraw/zinc/55/74/16/681557416.db2.gz HFEQVAZPZFFQSW-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC#Cc3ccccc3)cn2)CC1 ZINC000892596234 681904066 /nfs/dbraw/zinc/90/40/66/681904066.db2.gz OCQILUFIFLXAAK-UHFFFAOYSA-N 2 0 334.467 2.365 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754988 682101661 /nfs/dbraw/zinc/10/16/61/682101661.db2.gz DPAGOBKOAXHNEK-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261953250 682624312 /nfs/dbraw/zinc/62/43/12/682624312.db2.gz IAFZEFSJAXLEBR-PFPDTZPXSA-N 2 0 348.535 2.228 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000992704649 683283643 /nfs/dbraw/zinc/28/36/43/683283643.db2.gz CHTJSYCYXONFOL-USXIJHARSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000992858798 683607762 /nfs/dbraw/zinc/60/77/62/683607762.db2.gz NNTAMAJIKDMHAJ-BZUAXINKSA-N 2 0 337.895 2.051 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001026385555 684519418 /nfs/dbraw/zinc/51/94/18/684519418.db2.gz CWNXQWITLXHGBC-GVDBMIGSSA-N 2 0 339.911 2.297 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598446 685113836 /nfs/dbraw/zinc/11/38/36/685113836.db2.gz CIWFKVCTKWATSD-PKOBYXMFSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC000985154637 685990347 /nfs/dbraw/zinc/99/03/47/685990347.db2.gz KTFHYFNNZGVWMK-KESTWPANSA-N 2 0 345.531 2.396 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1 ZINC000124871972 686141587 /nfs/dbraw/zinc/14/15/87/686141587.db2.gz JGQPPICBWXTLMJ-INIZCTEOSA-N 2 0 338.883 2.245 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029843602 687297965 /nfs/dbraw/zinc/29/79/65/687297965.db2.gz KSFVSROZUIQERW-APWZRJJASA-N 2 0 342.487 2.179 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C)CC1 ZINC000987572328 689848350 /nfs/dbraw/zinc/84/83/50/689848350.db2.gz UCPJTBHEOLGTMP-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088382291 1186754926 /nfs/dbraw/zinc/75/49/26/1186754926.db2.gz YMPWNRLCYYXVLN-GDBMZVCRSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430298 1186867393 /nfs/dbraw/zinc/86/73/93/1186867393.db2.gz LSPNXOAMYYWIAS-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+](CC)CC)CCO2 ZINC001105483894 1188100984 /nfs/dbraw/zinc/10/09/84/1188100984.db2.gz MNRASJJQDLYAPJ-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076247816 1188803000 /nfs/dbraw/zinc/80/30/00/1188803000.db2.gz HJAJOHIZYFXGCX-RBUKOAKNSA-N 2 0 327.472 2.123 20 30 EEEDRP CCCCCCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272478892 1190844154 /nfs/dbraw/zinc/84/41/54/1190844154.db2.gz RMOZHLIHRVOMMY-IBGZPJMESA-N 2 0 339.524 2.212 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001483916158 1191115521 /nfs/dbraw/zinc/11/55/21/1191115521.db2.gz MCIBQPHQGQXJPP-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001484000745 1191150599 /nfs/dbraw/zinc/15/05/99/1191150599.db2.gz JFDPVBHWPPGRPW-MRXNPFEDSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1cn2c(n1)CCCC2 ZINC001484616084 1191443306 /nfs/dbraw/zinc/44/33/06/1191443306.db2.gz RBOFQKIDIGSINT-QGZVFWFLSA-N 2 0 330.476 2.309 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001485072662 1191642732 /nfs/dbraw/zinc/64/27/32/1191642732.db2.gz JIXYLPYOMRVPJI-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183357 1193722383 /nfs/dbraw/zinc/72/23/83/1193722383.db2.gz GSKMPHNDTQEVAV-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818018 1194440963 /nfs/dbraw/zinc/44/09/63/1194440963.db2.gz ALYBXPBUGGNMJF-YRPNKDGESA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001033686470 1195068384 /nfs/dbraw/zinc/06/83/84/1195068384.db2.gz DCTSCVQZHPVAHV-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001128779318 1195484799 /nfs/dbraw/zinc/48/47/99/1195484799.db2.gz SDVDMXJMBNJLLL-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001034003437 1195645147 /nfs/dbraw/zinc/64/51/47/1195645147.db2.gz DCUVHODBZWGVEI-IBGZPJMESA-N 2 0 336.439 2.432 20 30 EEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404219 1196196991 /nfs/dbraw/zinc/19/69/91/1196196991.db2.gz HXEBAGRGEFDOHP-OAHLLOKOSA-N 2 0 332.448 2.041 20 30 EEEDRP C[NH+](C)CC1(CN2CCC[C@@]23CCN(CCCC#N)C3=O)CCCC1 ZINC001273137355 1196728564 /nfs/dbraw/zinc/72/85/64/1196728564.db2.gz RGZOAXUSPKXHCY-FQEVSTJZSA-N 2 0 346.519 2.479 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583422 1199672334 /nfs/dbraw/zinc/67/23/34/1199672334.db2.gz KFRNNIGADKFQSI-HZPDHXFCSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001134613571 1199690704 /nfs/dbraw/zinc/69/07/04/1199690704.db2.gz WEVMYWCWRNKTBH-CVEARBPZSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCC(=C)C)C2)CC1 ZINC001133337688 1200761679 /nfs/dbraw/zinc/76/16/79/1200761679.db2.gz OYQHXTCNTZWSOW-QUCCMNQESA-N 2 0 345.531 2.372 20 30 EEEDRP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129319642 1201783017 /nfs/dbraw/zinc/78/30/17/1201783017.db2.gz ZTDUKQBEHREQLZ-SMDDNHRTSA-N 2 0 335.521 2.440 20 30 EEEDRP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001274491899 1205057002 /nfs/dbraw/zinc/05/70/02/1205057002.db2.gz CGHMIDPEOADFOO-RTBURBONSA-N 2 0 343.446 2.086 20 30 EEEDRP COc1cc(C#N)ccc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276086283 1205770311 /nfs/dbraw/zinc/77/03/11/1205770311.db2.gz CNCDWCSHOSRKJS-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536008 1208610435 /nfs/dbraw/zinc/61/04/35/1208610435.db2.gz BZPXCAQWULTTSB-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCCCCC1 ZINC000190537273 1209906767 /nfs/dbraw/zinc/90/67/67/1209906767.db2.gz DNCUNAYFKAAKRG-IBGZPJMESA-N 2 0 344.503 2.468 20 30 EEEDRP C[C@@H]1C[NH+](CCC[NH+]=C(NCc2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000303788781 1213906043 /nfs/dbraw/zinc/90/60/43/1213906043.db2.gz UQYMJASXVRYFDP-IAGOWNOFSA-N 2 0 332.492 2.193 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713597 1225586452 /nfs/dbraw/zinc/58/64/52/1225586452.db2.gz PDNPOYWBTHGNND-OAHLLOKOSA-N 2 0 332.448 2.041 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1ccccc1F ZINC000304667638 1216083103 /nfs/dbraw/zinc/08/31/03/1216083103.db2.gz BMKKDXZNZLVUTP-GJZGRUSLSA-N 2 0 336.455 2.372 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3CCCC3)C2)CC1 ZINC000962809786 1216108016 /nfs/dbraw/zinc/10/80/16/1216108016.db2.gz UTCPYKYIYXDIDI-UHFFFAOYSA-N 2 0 331.504 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037279761 1216290885 /nfs/dbraw/zinc/29/08/85/1216290885.db2.gz SUJFPJWXTRTKEW-VQTJNVASSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188716 1217077454 /nfs/dbraw/zinc/07/74/54/1217077454.db2.gz XOBBHUWEWBFTJD-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275018 1217122944 /nfs/dbraw/zinc/12/29/44/1217122944.db2.gz SWKSMDMZSQAFTP-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961367006 1217160640 /nfs/dbraw/zinc/16/06/40/1217160640.db2.gz KPXXAOQIIBKHFC-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961419655 1217183296 /nfs/dbraw/zinc/18/32/96/1217183296.db2.gz IALHRMVDIZAXAZ-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702185 1226797644 /nfs/dbraw/zinc/79/76/44/1226797644.db2.gz LUOIMMKNCQZSGW-ZWKOTPCHSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754943 1226843830 /nfs/dbraw/zinc/84/38/30/1226843830.db2.gz SETWPUITJGDWGO-QZTJIDSGSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CCCC)CC3)CC1 ZINC001016987165 1227016183 /nfs/dbraw/zinc/01/61/83/1227016183.db2.gz WSESQILHAAJBBT-SFHVURJKSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054729789 1248945880 /nfs/dbraw/zinc/94/58/80/1248945880.db2.gz BZOIEORVJPICCC-CZUORRHYSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001020250691 1229582989 /nfs/dbraw/zinc/58/29/89/1229582989.db2.gz LIAMZLUSIVKJBT-UFYCRDLUSA-N 2 0 339.483 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001039041534 1230257670 /nfs/dbraw/zinc/25/76/70/1230257670.db2.gz FAWPSJTWXLOIQM-PXNSSMCTSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167415 1230390753 /nfs/dbraw/zinc/39/07/53/1230390753.db2.gz TVLOSKIZNGRZCA-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235689 1230469027 /nfs/dbraw/zinc/46/90/27/1230469027.db2.gz ZEDUUFYADLPKSW-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699935 1231340100 /nfs/dbraw/zinc/34/01/00/1231340100.db2.gz FNTDYSGROFLSJK-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001040915413 1231403544 /nfs/dbraw/zinc/40/35/44/1231403544.db2.gz ZEASIRZKYDPGCL-UHFFFAOYSA-N 2 0 340.471 2.099 20 30 EEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041349499 1231515381 /nfs/dbraw/zinc/51/53/81/1231515381.db2.gz PFDDVVSTDQVNHO-ICSRJNTNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357420 1231518848 /nfs/dbraw/zinc/51/88/48/1231518848.db2.gz HHYXRFJUQQOSPE-FPOVZHCZSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844924 1231728214 /nfs/dbraw/zinc/72/82/14/1231728214.db2.gz PMAQKGHSLGBTJI-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP CC#CC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045647056 1233880789 /nfs/dbraw/zinc/88/07/89/1233880789.db2.gz PRLHVCIBFOGDLL-UHFFFAOYSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)CC)CC1 ZINC001045895204 1234127212 /nfs/dbraw/zinc/12/72/12/1234127212.db2.gz AOIAJDOMKFHDNC-SXLOBPIMSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962901 1234239563 /nfs/dbraw/zinc/23/95/63/1234239563.db2.gz RYMVTPCNBULHGQ-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001045973509 1234258494 /nfs/dbraw/zinc/25/84/94/1234258494.db2.gz SCQHXTDAPNCKNK-APWZRJJASA-N 2 0 330.476 2.479 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045980396 1234270832 /nfs/dbraw/zinc/27/08/32/1234270832.db2.gz XLWQYUBGWXYKDM-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046937293 1235328264 /nfs/dbraw/zinc/32/82/64/1235328264.db2.gz HRAYQICZMRRYBK-HUUCEWRRSA-N 2 0 329.435 2.119 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046941059 1235332921 /nfs/dbraw/zinc/33/29/21/1235332921.db2.gz GAERWUBIXLNQBP-OWCLPIDISA-N 2 0 343.462 2.366 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047256216 1235759606 /nfs/dbraw/zinc/75/96/06/1235759606.db2.gz ICOGNVGSVRBGBV-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001048626016 1238135226 /nfs/dbraw/zinc/13/52/26/1238135226.db2.gz UYLPISLRIKFDAO-LJQANCHMSA-N 2 0 342.487 2.155 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000776873 1240920363 /nfs/dbraw/zinc/92/03/63/1240920363.db2.gz MNXSNVFJSQDPFL-IBGZPJMESA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(C)C)CC1 ZINC001049917477 1242702998 /nfs/dbraw/zinc/70/29/98/1242702998.db2.gz HSLGFNLMTRNQAA-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CC1 ZINC001050392478 1243494408 /nfs/dbraw/zinc/49/44/08/1243494408.db2.gz GGDZPWHHRJOXMO-UAPYVXQJSA-N 2 0 331.504 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCF)CC1 ZINC001111455056 1244596910 /nfs/dbraw/zinc/59/69/10/1244596910.db2.gz KNAHZVSLMGRCKU-QRVBRYPASA-N 2 0 349.494 2.193 20 30 EEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731278 1244859655 /nfs/dbraw/zinc/85/96/55/1244859655.db2.gz NSDXJTALYUCLLV-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029532 1245713141 /nfs/dbraw/zinc/71/31/41/1245713141.db2.gz SRCXQDANJBIREA-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431188 1245814610 /nfs/dbraw/zinc/81/46/10/1245814610.db2.gz CDJYNLYYOQURAH-LMMKCTJWSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001101558821 1245961461 /nfs/dbraw/zinc/96/14/61/1245961461.db2.gz IHHNGRMNVPDINK-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223684 1247765152 /nfs/dbraw/zinc/76/51/52/1247765152.db2.gz ZJTAUUCDTWEVPK-FQEVSTJZSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828787 1254691740 /nfs/dbraw/zinc/69/17/40/1254691740.db2.gz UHZXBSWSFYFINO-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880719 1257190426 /nfs/dbraw/zinc/19/04/26/1257190426.db2.gz VOWAOZGNOLREFD-MPGHIAIKSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099241352 1258028911 /nfs/dbraw/zinc/02/89/11/1258028911.db2.gz ZFVWXWIMJHLZCH-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260189 1258046475 /nfs/dbraw/zinc/04/64/75/1258046475.db2.gz ALUYTCHZDFOQLC-MCIONIFRSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001101025036 1259577291 /nfs/dbraw/zinc/57/72/91/1259577291.db2.gz SKGVRTVZPMXUNU-LRYGQEGESA-N 2 0 331.504 2.171 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001135298855 1278315763 /nfs/dbraw/zinc/31/57/63/1278315763.db2.gz PYMMPXYPDZTZMD-CVEARBPZSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185740399 1278768109 /nfs/dbraw/zinc/76/81/09/1278768109.db2.gz BUVISHSNLZCQNZ-LPHOPBHVSA-N 2 0 327.472 2.069 20 30 EEEDRP C=CCC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001186093906 1278948960 /nfs/dbraw/zinc/94/89/60/1278948960.db2.gz FKIGOCXATZXVAX-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200886897 1287217119 /nfs/dbraw/zinc/21/71/19/1287217119.db2.gz FMBWACOOISGDBX-ZWKOTPCHSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001188158487 1279790429 /nfs/dbraw/zinc/79/04/29/1279790429.db2.gz PZCSEQASZNQRFD-QGZVFWFLSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCCCF)C[C@H]32)CC1 ZINC001190316949 1280788940 /nfs/dbraw/zinc/78/89/40/1280788940.db2.gz BLEMXINGSBNYCY-RBUKOAKNSA-N 2 0 349.494 2.004 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001196970733 1284362241 /nfs/dbraw/zinc/36/22/41/1284362241.db2.gz SZUYMCRAMUOIEB-UHFFFAOYSA-N 2 0 346.450 2.073 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198941186 1285431053 /nfs/dbraw/zinc/43/10/53/1285431053.db2.gz VATYLXKFWOEYQM-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C#CCC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CCC)c1ccccc1OC ZINC001198969935 1285451899 /nfs/dbraw/zinc/45/18/99/1285451899.db2.gz YYGPLTKPODYNNM-GOSISDBHSA-N 2 0 345.487 2.197 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213223998 1295942551 /nfs/dbraw/zinc/94/25/51/1295942551.db2.gz IWNPVICCLUZOIH-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734798 1296073307 /nfs/dbraw/zinc/07/33/07/1296073307.db2.gz QDJIXLBYNXCABA-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215540799 1296934726 /nfs/dbraw/zinc/93/47/26/1296934726.db2.gz QGHBVHCUGINZKB-RKVPGOIHSA-N 2 0 325.472 2.212 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715553 1297774823 /nfs/dbraw/zinc/77/48/23/1297774823.db2.gz JLKVEALKQZBBFY-CEXWTWQISA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CNC(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219879455 1298170734 /nfs/dbraw/zinc/17/07/34/1298170734.db2.gz GJZONWIHEIOLKJ-UYAOXDASSA-N 2 0 327.472 2.181 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C[C@H](C)O2 ZINC001098589738 1298639719 /nfs/dbraw/zinc/63/97/19/1298639719.db2.gz LHSQGXXKTXEBDR-ROUUACIJSA-N 2 0 349.519 2.127 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099284520 1298999286 /nfs/dbraw/zinc/99/92/86/1298999286.db2.gz DWJKEVRAZKRLFS-KFWWJZLASA-N 2 0 345.409 2.026 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001223258951 1300040734 /nfs/dbraw/zinc/04/07/34/1300040734.db2.gz KOWOMIACHIWERX-MRXNPFEDSA-N 2 0 330.476 2.248 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227792158 1301966903 /nfs/dbraw/zinc/96/69/03/1301966903.db2.gz LJSKXRUGXBGOOZ-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090301 1302200853 /nfs/dbraw/zinc/20/08/53/1302200853.db2.gz QHGTWHIOEBDHBW-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115108277 1304690233 /nfs/dbraw/zinc/69/02/33/1304690233.db2.gz MCIGSJXZSVQYOA-XODKDNOYSA-N 2 0 341.499 2.476 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)CCc2ccccc2)CCCCC1 ZINC001115730994 1305684086 /nfs/dbraw/zinc/68/40/86/1305684086.db2.gz XBJHRHMVADLQIQ-UHFFFAOYSA-N 2 0 341.499 2.203 20 30 EEEDRP Cc1nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001240343222 1309308774 /nfs/dbraw/zinc/30/87/74/1309308774.db2.gz JSJPCKLNDAGQLP-OAHLLOKOSA-N 2 0 333.439 2.478 20 30 EEEDRP C[NH+]1CCN(c2cccc(-c3ncc4c(c3C#N)CCC[NH2+]C4)c2)CC1 ZINC001243669457 1309847838 /nfs/dbraw/zinc/84/78/38/1309847838.db2.gz YHQYHCGOFUQNHP-UHFFFAOYSA-N 2 0 347.466 2.408 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121288971 1309969728 /nfs/dbraw/zinc/96/97/28/1309969728.db2.gz MWXUVOSNSMQFPB-SWPKYLGISA-N 2 0 329.488 2.044 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122088414 1310218898 /nfs/dbraw/zinc/21/88/98/1310218898.db2.gz WPOYJOSVNSCYMT-UHFFFAOYSA-N 2 0 327.900 2.488 20 30 EEEDRP N#Cc1ccc(C2CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC2)cc1 ZINC001246413029 1310304046 /nfs/dbraw/zinc/30/40/46/1310304046.db2.gz FFPYSIXXGITBPP-ABHNRTSZSA-N 2 0 328.460 2.157 20 30 EEEDRP CC(C)(C)c1ccc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)c(C#N)c1 ZINC001247832790 1310737145 /nfs/dbraw/zinc/73/71/45/1310737145.db2.gz ZCTIBICLYBTUCY-HNNXBMFYSA-N 2 0 337.427 2.182 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC/C=C\c2ccccc2)CC1 ZINC001152329913 1316657524 /nfs/dbraw/zinc/65/75/24/1316657524.db2.gz FBHUEIPZGCDHJC-POHAHGRESA-N 2 0 339.483 2.141 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819268 1316892296 /nfs/dbraw/zinc/89/22/96/1316892296.db2.gz UYUJCSWBBKHDKV-QZTJIDSGSA-N 2 0 339.524 2.279 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469007 1317609666 /nfs/dbraw/zinc/60/96/66/1317609666.db2.gz SZXPRCBMQYTRTN-UXHICEINSA-N 2 0 330.472 2.148 20 30 EEEDRP N#Cc1cncc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159459999 1319817414 /nfs/dbraw/zinc/81/74/14/1319817414.db2.gz JYMIMLDXKFVVRD-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159908715 1320018310 /nfs/dbraw/zinc/01/83/10/1320018310.db2.gz JCJHWJTXWGBFDU-LJQANCHMSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360321 1320144015 /nfs/dbraw/zinc/14/40/15/1320144015.db2.gz OVJXZIYYQYJFQR-IBGZPJMESA-N 2 0 329.488 2.165 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001160870472 1320299473 /nfs/dbraw/zinc/29/94/73/1320299473.db2.gz YAUOPFQOIJIDSF-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390759 1320484751 /nfs/dbraw/zinc/48/47/51/1320484751.db2.gz JFDATEMGSGPEQK-IBGZPJMESA-N 2 0 331.504 2.411 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCC(=C)C)CC2)CC1 ZINC001161946770 1320688079 /nfs/dbraw/zinc/68/80/79/1320688079.db2.gz CAKSPJFQPRTARK-UHFFFAOYSA-N 2 0 343.515 2.436 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317154 1320819623 /nfs/dbraw/zinc/81/96/23/1320819623.db2.gz YCZZJVLELJWYAK-HNNXBMFYSA-N 2 0 327.432 2.332 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531825 1321409811 /nfs/dbraw/zinc/40/98/11/1321409811.db2.gz TXJIJSWLXZYCKU-HZPDHXFCSA-N 2 0 339.911 2.489 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774275 1321958450 /nfs/dbraw/zinc/95/84/50/1321958450.db2.gz ZQZDBPZYVBKFPJ-RBUKOAKNSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318382 1322349871 /nfs/dbraw/zinc/34/98/71/1322349871.db2.gz AQBBYTXVSAAJAM-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206794962 1323599336 /nfs/dbraw/zinc/59/93/36/1323599336.db2.gz WIZPZVTXPOXCRS-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001210486546 1325305754 /nfs/dbraw/zinc/30/57/54/1325305754.db2.gz ZCBHTPQMQJIVQM-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)Cc2cccc(C#N)c2)C1 ZINC001492383660 1331202696 /nfs/dbraw/zinc/20/26/96/1331202696.db2.gz HFGRSIAVLUBIRA-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001355888001 1338763931 /nfs/dbraw/zinc/76/39/31/1338763931.db2.gz HXTJTYLCMRMHOS-KRWDZBQOSA-N 2 0 346.523 2.051 20 30 EEEDRP C=CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001574953806 1343714115 /nfs/dbraw/zinc/71/41/15/1343714115.db2.gz GPARWOSKACLLAC-CALCHBBNSA-N 2 0 346.523 2.225 20 30 EEEDRP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001647343568 1353237889 /nfs/dbraw/zinc/23/78/89/1353237889.db2.gz OSPDVBGZSVGDGM-QPIRBTGLSA-N 2 0 325.456 2.359 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702033 1370560196 /nfs/dbraw/zinc/56/01/96/1370560196.db2.gz RXKQNVREQXSSDC-MJGOQNOKSA-N 2 0 341.499 2.397 20 30 EEEDRP C[N@H+](CC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1)C1CCC1 ZINC001100410712 1373038304 /nfs/dbraw/zinc/03/83/04/1373038304.db2.gz JQUAYZFXXOTONB-UHFFFAOYSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001389654229 1388236258 /nfs/dbraw/zinc/23/62/58/1388236258.db2.gz DCAPKWKZSRUZHR-MSOLQXFVSA-N 2 0 346.450 2.022 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+]CC2=CC[N@H+](C)CC2)c(OC)c1 ZINC001356595018 1373203076 /nfs/dbraw/zinc/20/30/76/1373203076.db2.gz HQDMEYAGGOUDJD-GOSISDBHSA-N 2 0 346.471 2.015 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001370380370 1374909290 /nfs/dbraw/zinc/90/92/90/1374909290.db2.gz WFQXIFNAJIQOFY-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001371869870 1375659787 /nfs/dbraw/zinc/65/97/87/1375659787.db2.gz PHQXVUYZCQULIC-GUYCJALGSA-N 2 0 334.439 2.022 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001390089848 1388434905 /nfs/dbraw/zinc/43/49/05/1388434905.db2.gz GFQXXUGXGVMOHI-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001375764617 1377982168 /nfs/dbraw/zinc/98/21/68/1377982168.db2.gz PBEKUDWUNVFBJT-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)cc1 ZINC001377046725 1378945278 /nfs/dbraw/zinc/94/52/78/1378945278.db2.gz JVSDOEMFVOKZJB-INIZCTEOSA-N 2 0 340.471 2.171 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001379119422 1380541294 /nfs/dbraw/zinc/54/12/94/1380541294.db2.gz UKCYAHRMXAQHEK-GOSISDBHSA-N 2 0 348.466 2.174 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379231168 1380645654 /nfs/dbraw/zinc/64/56/54/1380645654.db2.gz ZPDMOVPGRNENIS-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001379817825 1380904556 /nfs/dbraw/zinc/90/45/56/1380904556.db2.gz PWMPYPVKJBJNRT-LSDHHAIUSA-N 2 0 327.900 2.488 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001382283222 1382049272 /nfs/dbraw/zinc/04/92/72/1382049272.db2.gz HMEXFLRLJKWRES-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001382336027 1382073950 /nfs/dbraw/zinc/07/39/50/1382073950.db2.gz AEWMEEPWYKPNBP-CVEARBPZSA-N 2 0 327.900 2.345 20 30 EEEDRP C[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001390861893 1388828685 /nfs/dbraw/zinc/82/86/85/1388828685.db2.gz KCPMXADCQVJEES-UHFFFAOYSA-N 2 0 342.487 2.372 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)C)[NH+](C)C ZINC001392247615 1389925244 /nfs/dbraw/zinc/92/52/44/1389925244.db2.gz OYUQHZRUCZAQGK-ROUUACIJSA-N 2 0 348.466 2.268 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001752806282 1406425184 /nfs/dbraw/zinc/42/51/84/1406425184.db2.gz IXKZTTYDAKXLMX-IBGZPJMESA-N 2 0 329.488 2.175 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001394717063 1390744295 /nfs/dbraw/zinc/74/42/95/1390744295.db2.gz RXFLSVDTQGZULO-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP C[N@H+](CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001398228269 1391928556 /nfs/dbraw/zinc/92/85/56/1391928556.db2.gz IPNCRKDGPGJISO-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401183718 1397015337 /nfs/dbraw/zinc/01/53/37/1397015337.db2.gz GBKZFEYBRMANDC-AWEZNQCLSA-N 2 0 348.516 2.194 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001401302359 1397136208 /nfs/dbraw/zinc/13/62/08/1397136208.db2.gz VUGMCJHNVRUBKB-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001402037746 1397730703 /nfs/dbraw/zinc/73/07/03/1397730703.db2.gz HCWKLILSHUMJGK-QGZVFWFLSA-N 2 0 348.516 2.383 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001402051601 1397736752 /nfs/dbraw/zinc/73/67/52/1397736752.db2.gz ITBIIEUQJMTMKD-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402682777 1398149713 /nfs/dbraw/zinc/14/97/13/1398149713.db2.gz GFZFAVBUBXNIKC-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001402977749 1398302008 /nfs/dbraw/zinc/30/20/08/1398302008.db2.gz VLTXGSVGVJOJCL-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001402992515 1398308608 /nfs/dbraw/zinc/30/86/08/1398308608.db2.gz CSXZHTJRKVBOFS-CYBMUJFWSA-N 2 0 336.505 2.192 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001423449544 1400582892 /nfs/dbraw/zinc/58/28/92/1400582892.db2.gz JNLDZPJHBUVFBQ-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP CC#CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001755125487 1407135113 /nfs/dbraw/zinc/13/51/13/1407135113.db2.gz XHUPXAWMLOJZIO-RDJZCZTQSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001755342850 1407342024 /nfs/dbraw/zinc/34/20/24/1407342024.db2.gz LPKSKWKLFZIGLW-LJQANCHMSA-N 2 0 329.488 2.458 20 30 EEEDRP C=C(Br)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725396218 1405791835 /nfs/dbraw/zinc/79/18/35/1405791835.db2.gz SYEXKZMBNGPOFZ-KGLIPLIRSA-N 2 0 346.313 2.254 20 30 EEEDRP C=CCCC[N@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001755888828 1407953031 /nfs/dbraw/zinc/95/30/31/1407953031.db2.gz MUBZWOKAQNSKJC-UHFFFAOYSA-N 2 0 349.519 2.059 20 30 EEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001100402227 1410650377 /nfs/dbraw/zinc/65/03/77/1410650377.db2.gz SXANRWZXXSTFCG-FAFZWHIHSA-N 2 0 349.519 2.080 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)s1 ZINC001168030037 782399069 /nfs/dbraw/zinc/39/90/69/782399069.db2.gz LVGWMDZXBKGKMM-YOEHRIQHSA-N 2 0 346.500 2.233 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294569 758149287 /nfs/dbraw/zinc/14/92/87/758149287.db2.gz RVHWLVZQZSCDKB-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001167608524 760722811 /nfs/dbraw/zinc/72/28/11/760722811.db2.gz FLYYVVMJRLOBKW-IBGZPJMESA-N 2 0 341.499 2.399 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530104 782631022 /nfs/dbraw/zinc/63/10/22/782631022.db2.gz PESQVZNZHMTDJU-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509068 770001024 /nfs/dbraw/zinc/00/10/24/770001024.db2.gz DRKZIKOGXIKQQG-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089510721 770025783 /nfs/dbraw/zinc/02/57/83/770025783.db2.gz DPKYMEMHROBIPC-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070332 773436114 /nfs/dbraw/zinc/43/61/14/773436114.db2.gz ONFIZXFIZREFMD-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686732 774319883 /nfs/dbraw/zinc/31/98/83/774319883.db2.gz XJLXFQBMIJOETF-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958306 778670192 /nfs/dbraw/zinc/67/01/92/778670192.db2.gz HUWWOSYPLVGAND-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107356 779115878 /nfs/dbraw/zinc/11/58/78/779115878.db2.gz HXOFWIQROVNKFC-UHFFFAOYSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001111540062 790716458 /nfs/dbraw/zinc/71/64/58/790716458.db2.gz DAOPLAXBHGVMAB-MSOLQXFVSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300171 779623514 /nfs/dbraw/zinc/62/35/14/779623514.db2.gz UYLKHRXFTGYJNZ-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305956 779656085 /nfs/dbraw/zinc/65/60/85/779656085.db2.gz BINWZNCYQGANBK-QGZVKYPTSA-N 2 0 331.504 2.360 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001035050719 783655443 /nfs/dbraw/zinc/65/54/43/783655443.db2.gz HKPRDNZMEGWSEK-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089893947 783786695 /nfs/dbraw/zinc/78/66/95/783786695.db2.gz QCYQNAOITAAUEY-VJANTYMQSA-N 2 0 343.515 2.217 20 30 EEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481754 783837214 /nfs/dbraw/zinc/83/72/14/783837214.db2.gz WVKCIRVVTAOZNN-QZTJIDSGSA-N 2 0 329.488 2.057 20 30 EEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481744 783837246 /nfs/dbraw/zinc/83/72/46/783837246.db2.gz WQTCQIFIJUNWJA-ZWKOTPCHSA-N 2 0 329.488 2.057 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001035131292 783861134 /nfs/dbraw/zinc/86/11/34/783861134.db2.gz GRVYOXYGZOZGJL-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193804 784083523 /nfs/dbraw/zinc/08/35/23/784083523.db2.gz PDDLDEZPWALNQP-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259711 784213681 /nfs/dbraw/zinc/21/36/81/784213681.db2.gz FFURHLCAOZVHKJ-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135690097 784249770 /nfs/dbraw/zinc/24/97/70/784249770.db2.gz FDNDGWLTKKBVQZ-ROUUACIJSA-N 2 0 339.524 2.021 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742969 784351109 /nfs/dbraw/zinc/35/11/09/784351109.db2.gz BNQPCWZAKDSMHI-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744210 784352569 /nfs/dbraw/zinc/35/25/69/784352569.db2.gz XTFSMKGCCJPGML-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743695 784353047 /nfs/dbraw/zinc/35/30/47/784353047.db2.gz ODJOSFWTSRNOEO-CHWSQXEVSA-N 2 0 334.302 2.110 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1)[NH+](C)C ZINC000995946157 785849362 /nfs/dbraw/zinc/84/93/62/785849362.db2.gz GRHBDRYSMDMGEP-QZTJIDSGSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001036257849 786115773 /nfs/dbraw/zinc/11/57/73/786115773.db2.gz NDZYOMVBQVFBLZ-IUODEOHRSA-N 2 0 336.867 2.340 20 30 EEEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001036298749 786169407 /nfs/dbraw/zinc/16/94/07/786169407.db2.gz PEGMUGCBXIEJNU-YOEHRIQHSA-N 2 0 346.500 2.042 20 30 EEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccccc2Cn2cc[nH+]c2N)cc1 ZINC001170989360 787245569 /nfs/dbraw/zinc/24/55/69/787245569.db2.gz QRAVSWSTYRRKAO-UHFFFAOYSA-N 2 0 349.394 2.337 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001127066870 788317202 /nfs/dbraw/zinc/31/72/02/788317202.db2.gz UBXZWWLPIRBUHS-SFHVURJKSA-N 2 0 347.890 2.270 20 30 EEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997124671 789000364 /nfs/dbraw/zinc/00/03/64/789000364.db2.gz IAXUICKIJVUGID-APWZRJJASA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)CN2CCCC[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000923282860 789295226 /nfs/dbraw/zinc/29/52/26/789295226.db2.gz UVJGOYWGXZNNAA-NXHRZFHOSA-N 2 0 348.487 2.365 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997279921 789551677 /nfs/dbraw/zinc/55/16/77/789551677.db2.gz QMRXNSYKCSUNPC-MJGOQNOKSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001171162400 789578877 /nfs/dbraw/zinc/57/88/77/789578877.db2.gz XQJNCNZULYUVOA-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001147823916 791981661 /nfs/dbraw/zinc/98/16/61/791981661.db2.gz GPUBPNJOPGLMMS-RDJZCZTQSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298824 792504528 /nfs/dbraw/zinc/50/45/28/792504528.db2.gz YYRZJNUIUYBEMZ-ZIAGYGMSSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001086882549 792892314 /nfs/dbraw/zinc/89/23/14/792892314.db2.gz WLXNEUVERIULQQ-AZUAARDMSA-N 2 0 345.531 2.396 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012911 793506212 /nfs/dbraw/zinc/50/62/12/793506212.db2.gz FDNHWTHBNDHIAR-LSTHTHJFSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721912 793531176 /nfs/dbraw/zinc/53/11/76/793531176.db2.gz FAERCGAVPLPIAK-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721911 793531447 /nfs/dbraw/zinc/53/14/47/793531447.db2.gz FAERCGAVPLPIAK-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311461 793631417 /nfs/dbraw/zinc/63/14/17/793631417.db2.gz AFOGVCDSDQTBOH-CTNGQTDRSA-N 2 0 339.483 2.498 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992408399 793984008 /nfs/dbraw/zinc/98/40/08/793984008.db2.gz RSVTZVDJIDRPQD-TZIWHRDSSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509205 794451725 /nfs/dbraw/zinc/45/17/25/794451725.db2.gz MYAKMUREFZVPQY-FPOVZHCZSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794965 794950279 /nfs/dbraw/zinc/95/02/79/794950279.db2.gz WXPSBOURJDWSRI-HZPDHXFCSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373925 795106900 /nfs/dbraw/zinc/10/69/00/795106900.db2.gz VBYNPAFZIWTBHX-MOPGFXCFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377077 795112589 /nfs/dbraw/zinc/11/25/89/795112589.db2.gz FZODROCKNDIPEF-MOPGFXCFSA-N 2 0 345.531 2.299 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093378900 795115543 /nfs/dbraw/zinc/11/55/43/795115543.db2.gz VOIKCSMPXQHVOH-LJQANCHMSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700605 795118847 /nfs/dbraw/zinc/11/88/47/795118847.db2.gz FYYLCEQLNQQQBX-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997250 795304409 /nfs/dbraw/zinc/30/44/09/795304409.db2.gz VCIAGKUWJGVMJG-QFBILLFUSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)[NH+](C)C ZINC001094049241 795893366 /nfs/dbraw/zinc/89/33/66/795893366.db2.gz NQWHVDQLMIVWEV-LZQZEXGQSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094582633 796423248 /nfs/dbraw/zinc/42/32/48/796423248.db2.gz SZOVTCWIGMIAOU-TZIWHRDSSA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001112547341 806512462 /nfs/dbraw/zinc/51/24/62/806512462.db2.gz KJJNMFGOAUCESE-ICSRJNTNSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172131333 796879535 /nfs/dbraw/zinc/87/95/35/796879535.db2.gz WFMMWYXXPQIGJC-WKCHPHFGSA-N 2 0 346.563 2.293 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094949902 797092231 /nfs/dbraw/zinc/09/22/31/797092231.db2.gz BQQIUVSHHXTUAQ-JZXOWHBKSA-N 2 0 331.504 2.242 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082059527 797145833 /nfs/dbraw/zinc/14/58/33/797145833.db2.gz SGNCSEQEKDYXMS-GUDVDZBRSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001095041345 797265107 /nfs/dbraw/zinc/26/51/07/797265107.db2.gz XMEXHZRDUPMAIX-ZNMIVQPWSA-N 2 0 348.878 2.483 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175938686 798277444 /nfs/dbraw/zinc/27/74/44/798277444.db2.gz GLAZMCTVSMHUNF-KRWDZBQOSA-N 2 0 339.524 2.328 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382768 798287118 /nfs/dbraw/zinc/28/71/18/798287118.db2.gz UXUMLSLOZONBQF-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001031435143 798403991 /nfs/dbraw/zinc/40/39/91/798403991.db2.gz QWGDDMVVRKCQLL-MSOLQXFVSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564584 798498508 /nfs/dbraw/zinc/49/85/08/798498508.db2.gz RAARXCPEDJZAID-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176986319 798675272 /nfs/dbraw/zinc/67/52/72/798675272.db2.gz KRNHATLDUXYETD-IBGZPJMESA-N 2 0 345.462 2.148 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001177415764 798934186 /nfs/dbraw/zinc/93/41/86/798934186.db2.gz KSHFKRZGGLPHPD-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001178045461 799229494 /nfs/dbraw/zinc/22/94/94/799229494.db2.gz MEJZKMVPUCBBIY-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178467925 799488849 /nfs/dbraw/zinc/48/88/49/799488849.db2.gz LFADSRNHMNWQMT-SFHVURJKSA-N 2 0 339.524 2.328 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001180278427 800354911 /nfs/dbraw/zinc/35/49/11/800354911.db2.gz DSPWOFATECXCCR-SFHVURJKSA-N 2 0 339.524 2.187 20 30 EEEDRP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001182767961 801343764 /nfs/dbraw/zinc/34/37/64/801343764.db2.gz TULYQBVWSKQWHI-ZHALLVOQSA-N 2 0 348.491 2.111 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001183129150 801468967 /nfs/dbraw/zinc/46/89/67/801468967.db2.gz KRMDDFOBNOWXJZ-QWFCFKBJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892535 802232318 /nfs/dbraw/zinc/23/23/18/802232318.db2.gz QHRVJGBUOJARSC-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169807963 804083094 /nfs/dbraw/zinc/08/30/94/804083094.db2.gz AHDBIEKABCWBIR-LPHOPBHVSA-N 2 0 342.487 2.417 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001108796992 804519675 /nfs/dbraw/zinc/51/96/75/804519675.db2.gz YBRZFKTZHRAFKY-SXLOBPIMSA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001501077921 1113190772 /nfs/dbraw/zinc/19/07/72/1113190772.db2.gz ZUXRPEHIJAMIDW-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001507425628 1115261918 /nfs/dbraw/zinc/26/19/18/1115261918.db2.gz CLNKQJUVCUBLII-JKSUJKDBSA-N 2 0 327.900 2.489 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000105139748 277848081 /nfs/dbraw/zinc/84/80/81/277848081.db2.gz YCUUMOLUASJFCX-MSOLQXFVSA-N 2 0 336.524 2.421 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000424151832 303151388 /nfs/dbraw/zinc/15/13/88/303151388.db2.gz GGGAKXONHBBWTQ-JKSUJKDBSA-N 2 0 346.500 2.240 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000297005551 465242966 /nfs/dbraw/zinc/24/29/66/465242966.db2.gz UHMGEZDWSQWZIG-UHFFFAOYSA-N 2 0 344.503 2.235 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000050025037 462984423 /nfs/dbraw/zinc/98/44/23/462984423.db2.gz PXPVMSWPOYIDJA-FQEVSTJZSA-N 2 0 339.483 2.285 20 30 EEEDRP C[C@H]([NH2+]C1(C[NH+]=C(N(C)C)N(C)C)CCOCC1)c1ccccc1 ZINC000097012223 463303060 /nfs/dbraw/zinc/30/30/60/463303060.db2.gz JMMTYJGYBHULQS-INIZCTEOSA-N 2 0 332.492 2.366 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171722660 463913761 /nfs/dbraw/zinc/91/37/61/463913761.db2.gz MYQGUUIJXYTQCX-MRXNPFEDSA-N 2 0 336.524 2.447 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000264059349 464276866 /nfs/dbraw/zinc/27/68/66/464276866.db2.gz PBIHDCJQKYPEFU-UHFFFAOYSA-N 2 0 330.432 2.085 20 30 EEEDRP C#CCCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000271071684 464277599 /nfs/dbraw/zinc/27/75/99/464277599.db2.gz VVGMUWMFFBHNBV-IBGZPJMESA-N 2 0 326.488 2.329 20 30 EEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000264089881 464282482 /nfs/dbraw/zinc/28/24/82/464282482.db2.gz KPPKFASDOIPHNN-UHFFFAOYSA-N 2 0 345.491 2.008 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000264133031 464286884 /nfs/dbraw/zinc/28/68/84/464286884.db2.gz UMFNYSDOIKATHT-HOTGVXAUSA-N 2 0 332.492 2.358 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(CNC(=[NH2+])N[C@@H](C)CC)cc1 ZINC000274252309 464739050 /nfs/dbraw/zinc/73/90/50/464739050.db2.gz YSIZGCLMKODSNM-KBPBESRZSA-N 2 0 332.496 2.092 20 30 EEEDRP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275623472 464782553 /nfs/dbraw/zinc/78/25/53/464782553.db2.gz JUDDNSCCEZQRDC-UHFFFAOYSA-N 2 0 345.491 2.490 20 30 EEEDRP CC(C)[C@@H]1C[NH+](CC#CC[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339819366 465530526 /nfs/dbraw/zinc/53/05/26/465530526.db2.gz JIFBOVWNZTZWMN-BGYRXZFFSA-N 2 0 336.520 2.484 20 30 EEEDRP CCC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000330178299 465559191 /nfs/dbraw/zinc/55/91/91/465559191.db2.gz DPDLMDGOPGIJLP-KRWDZBQOSA-N 2 0 333.480 2.444 20 30 EEEDRP C=C(C)C(C)(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000424626889 467078041 /nfs/dbraw/zinc/07/80/41/467078041.db2.gz JYONJFXAADRSDY-UHFFFAOYSA-N 2 0 330.476 2.312 20 30 EEEDRP C=CCN1CC[C@H](N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302846 467345253 /nfs/dbraw/zinc/34/52/53/467345253.db2.gz CDAIUDSASLVMTQ-IRXDYDNUSA-N 2 0 345.512 2.479 20 30 EEEDRP C=CCOc1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989198 467462059 /nfs/dbraw/zinc/46/20/59/467462059.db2.gz QGGPFWPGIZEMSQ-MRXNPFEDSA-N 2 0 343.393 2.177 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)C(C)C ZINC000457754617 467697406 /nfs/dbraw/zinc/69/74/06/467697406.db2.gz RDQSWIOCVJEODO-RCCFBDPRSA-N 2 0 334.508 2.031 20 30 EEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000602554400 469358899 /nfs/dbraw/zinc/35/88/99/469358899.db2.gz YKNHEMCLEVVUKC-DLBZAZTESA-N 2 0 335.492 2.176 20 30 EEEDRP C=CC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662858472 472281011 /nfs/dbraw/zinc/28/10/11/472281011.db2.gz IKSCCGNXMLUSOM-FQEVSTJZSA-N 2 0 342.487 2.108 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000113335767 526743610 /nfs/dbraw/zinc/74/36/10/526743610.db2.gz KDFDZHXBGHGHDM-LJQANCHMSA-N 2 0 343.515 2.452 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377196490 527025311 /nfs/dbraw/zinc/02/53/11/527025311.db2.gz IWNJJWUCFPJRPP-SFHVURJKSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000105451686 527128013 /nfs/dbraw/zinc/12/80/13/527128013.db2.gz LRRPLIVVZQSSRU-UHFFFAOYSA-N 2 0 329.488 2.062 20 30 EEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970954542 676268909 /nfs/dbraw/zinc/26/89/09/676268909.db2.gz ODTWOZHPWLJFSB-OAHLLOKOSA-N 2 0 331.460 2.195 20 30 EEEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCCC2(C1)CCCCCC2 ZINC000261779147 681187463 /nfs/dbraw/zinc/18/74/63/681187463.db2.gz PAFVKVASJRRYGR-SFHVURJKSA-N 2 0 349.567 2.244 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623668 681817501 /nfs/dbraw/zinc/81/75/01/681817501.db2.gz KVVQQZOCSFDXJB-NRSPTQNISA-N 2 0 345.531 2.443 20 30 EEEDRP C[NH+]=C(NC[C@H](C1CCCCC1)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000262015102 682847026 /nfs/dbraw/zinc/84/70/26/682847026.db2.gz XNJQKHPEOVUVGI-MJGOQNOKSA-N 2 0 336.524 2.185 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000892851187 683134406 /nfs/dbraw/zinc/13/44/06/683134406.db2.gz DXPLTTFPWXZYLC-KRWDZBQOSA-N 2 0 336.524 2.400 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027693847 694000792 /nfs/dbraw/zinc/00/07/92/694000792.db2.gz KNMITSSHUJKWNM-QLOJAFMTSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@H]2C)CC1 ZINC000987571939 689847971 /nfs/dbraw/zinc/84/79/71/689847971.db2.gz RGTKNXHKNMIDIK-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC3CCCC3)CC2)CC1 ZINC000989734983 692231157 /nfs/dbraw/zinc/23/11/57/692231157.db2.gz MVBUIRYRCZYSCY-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CCCCCC3)C2)CC1 ZINC001032207440 1193089437 /nfs/dbraw/zinc/08/94/37/1193089437.db2.gz RETDXDJGYMMYIQ-UHFFFAOYSA-N 2 0 345.531 2.350 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001421764955 1181489872 /nfs/dbraw/zinc/48/98/72/1181489872.db2.gz CYLGLDHQYCGITP-GXTWGEPZSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574593 1188188592 /nfs/dbraw/zinc/18/85/92/1188188592.db2.gz BQBFLUWQPVVBQE-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)CC1 ZINC001101024780 1188387322 /nfs/dbraw/zinc/38/73/22/1188387322.db2.gz GDYNTBXKPRXKCY-UHFFFAOYSA-N 2 0 345.531 2.396 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240418 1195990666 /nfs/dbraw/zinc/99/06/66/1195990666.db2.gz IEQXIVIHTFFDJV-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410292247 1197667667 /nfs/dbraw/zinc/66/76/67/1197667667.db2.gz NAMLXGXINYKOHQ-SJORKVTESA-N 2 0 346.500 2.041 20 30 EEEDRP C[N@H+](CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl)CC(C)(C)C ZINC001133899802 1199163342 /nfs/dbraw/zinc/16/33/42/1199163342.db2.gz XRKSWFIDOYYVNS-UHFFFAOYSA-N 2 0 349.906 2.375 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608108 1199699764 /nfs/dbraw/zinc/69/97/64/1199699764.db2.gz QVQZNPSXOGRNNG-HOTGVXAUSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132824893 1200073029 /nfs/dbraw/zinc/07/30/29/1200073029.db2.gz WRMPKCUTTKPLBI-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001132969789 1200238545 /nfs/dbraw/zinc/23/85/45/1200238545.db2.gz ICXVLDPYMCKBLQ-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000128763723 1201627731 /nfs/dbraw/zinc/62/77/31/1201627731.db2.gz CLZBKEIHGSVFOA-BZSNNMDCSA-N 2 0 348.535 2.349 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCC2)c1 ZINC000104164160 1204611561 /nfs/dbraw/zinc/61/15/61/1204611561.db2.gz WTHDCCKMMNRGES-INIZCTEOSA-N 2 0 345.491 2.292 20 30 EEEDRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)nc3)(C1)CCC2 ZINC001275295692 1205301669 /nfs/dbraw/zinc/30/16/69/1205301669.db2.gz JIJVYFZQEGXDST-MOPGFXCFSA-N 2 0 344.459 2.098 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)[C@@H]2C1 ZINC001275786210 1205525750 /nfs/dbraw/zinc/52/57/50/1205525750.db2.gz FASZNWNPAQDQJN-OXJNMPFZSA-N 2 0 337.471 2.107 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000948825354 1209403837 /nfs/dbraw/zinc/40/38/37/1209403837.db2.gz AINLCFQCFWLTNX-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC001006445591 1209774707 /nfs/dbraw/zinc/77/47/07/1209774707.db2.gz KPJYVJVDTRSVBX-MRXNPFEDSA-N 2 0 337.483 2.003 20 30 EEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)CC(C)C ZINC000303774777 1213903687 /nfs/dbraw/zinc/90/36/87/1213903687.db2.gz GCPPOGNRLCXBNT-DLBZAZTESA-N 3 0 325.545 2.132 20 30 EEEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303986391 1213935996 /nfs/dbraw/zinc/93/59/96/1213935996.db2.gz UKBVPDVKDBYZHG-UHFFFAOYSA-N 2 0 337.899 2.117 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]cn3)CC2)CC1 ZINC000957559884 1215210478 /nfs/dbraw/zinc/21/04/78/1215210478.db2.gz OXKDSJRYPOOVAJ-UHFFFAOYSA-N 2 0 328.460 2.070 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957569170 1215219502 /nfs/dbraw/zinc/21/95/02/1215219502.db2.gz YKNTWHBNQVTMIZ-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605410 1215250031 /nfs/dbraw/zinc/25/00/31/1215250031.db2.gz AIPKWEDAYKHINT-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CC1 ZINC000957633830 1215278509 /nfs/dbraw/zinc/27/85/09/1215278509.db2.gz PYJOKCOFDZRBKK-UHFFFAOYSA-N 2 0 340.471 2.099 20 30 EEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733073 1225604795 /nfs/dbraw/zinc/60/47/95/1225604795.db2.gz LCAPVMBCEVFTPQ-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP C[N@H+](CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000304765522 1216105352 /nfs/dbraw/zinc/10/53/52/1216105352.db2.gz ZJGRCBYAFLYCGF-UHFFFAOYSA-N 2 0 347.482 2.137 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CC1 ZINC001037276083 1216277603 /nfs/dbraw/zinc/27/76/03/1216277603.db2.gz GSGQNINADWXBIJ-RTBURBONSA-N 2 0 331.504 2.006 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000960325840 1216495505 /nfs/dbraw/zinc/49/55/05/1216495505.db2.gz FOWOGLXHCJHQKK-IEBWSBKVSA-N 2 0 336.439 2.319 20 30 EEEDRP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027883 1217013291 /nfs/dbraw/zinc/01/32/91/1217013291.db2.gz LNOVWSCJJFPYHX-LJQANCHMSA-N 2 0 340.471 2.077 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154977 1217061379 /nfs/dbraw/zinc/06/13/79/1217061379.db2.gz ILBJIPJUWXNSEU-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188429 1217077602 /nfs/dbraw/zinc/07/76/02/1217077602.db2.gz VLLHKNSTQQCHOQ-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963356212 1217550845 /nfs/dbraw/zinc/55/08/45/1217550845.db2.gz CDDVEHMHRSCMRL-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360167 1217555389 /nfs/dbraw/zinc/55/53/89/1217555389.db2.gz KZWRCGOXCNPPKT-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384297 1217580767 /nfs/dbraw/zinc/58/07/67/1217580767.db2.gz SSEDBMYZBYUWGF-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428220 1217622260 /nfs/dbraw/zinc/62/22/60/1217622260.db2.gz KEMFMBBTNNTYOO-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001037848575 1219487789 /nfs/dbraw/zinc/48/77/89/1219487789.db2.gz IHINVKJNMWKKPI-GDBMZVCRSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499831 1220569743 /nfs/dbraw/zinc/56/97/43/1220569743.db2.gz REYUUNPOKORPQL-QFBILLFUSA-N 2 0 336.439 2.336 20 30 EEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000968890534 1221650059 /nfs/dbraw/zinc/65/00/59/1221650059.db2.gz JYBKSSKDQIRKNP-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC000968925417 1221675614 /nfs/dbraw/zinc/67/56/14/1221675614.db2.gz CPTMRGBYMNHDOP-IRXDYDNUSA-N 2 0 330.476 2.382 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038502269 1229874707 /nfs/dbraw/zinc/87/47/07/1229874707.db2.gz MKYWYYXDPKTDLB-INIZCTEOSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2=CCCCC2)CC1 ZINC001039041303 1230257366 /nfs/dbraw/zinc/25/73/66/1230257366.db2.gz CBBHNWKDAKGUJM-IBGZPJMESA-N 2 0 329.488 2.023 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039132772 1230342823 /nfs/dbraw/zinc/34/28/23/1230342823.db2.gz BJJDJTQJKMXKMN-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039132770 1230343367 /nfs/dbraw/zinc/34/33/67/1230343367.db2.gz BJJDJTQJKMXKMN-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228538 1230461245 /nfs/dbraw/zinc/46/12/45/1230461245.db2.gz IZWGAXRWRRBNRS-VQIMIIECSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001040393735 1231204605 /nfs/dbraw/zinc/20/46/05/1231204605.db2.gz DCCURYUAFKGHFU-VQTJNVASSA-N 2 0 349.494 2.147 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848211 1231387228 /nfs/dbraw/zinc/38/72/28/1231387228.db2.gz FVXPQOHNELNKRZ-HOCLYGCPSA-N 2 0 339.911 2.251 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040911223 1231402421 /nfs/dbraw/zinc/40/24/21/1231402421.db2.gz AGOOFSXISRUCDO-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CCCF)CC3)CC1 ZINC001040947742 1231408307 /nfs/dbraw/zinc/40/83/07/1231408307.db2.gz CJLLUOSTHHYBRR-UHFFFAOYSA-N 2 0 349.494 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@@H](C)CC)C3)C2)CC1 ZINC001041842710 1231726556 /nfs/dbraw/zinc/72/65/56/1231726556.db2.gz ATOAOEWCQXEDRZ-RXVVDRJESA-N 2 0 345.531 2.302 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001045043499 1233463416 /nfs/dbraw/zinc/46/34/16/1233463416.db2.gz GRXJTRNPIYGHIP-JKIFEVAISA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3nc[nH]c31)C2 ZINC001045965841 1234244137 /nfs/dbraw/zinc/24/41/37/1234244137.db2.gz LXUNIEKZJVVTIQ-UZLBHIALSA-N 2 0 340.471 2.167 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047245501 1235739038 /nfs/dbraw/zinc/73/90/38/1235739038.db2.gz ZHAUFBBCRVSVES-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263223 1235772674 /nfs/dbraw/zinc/77/26/74/1235772674.db2.gz CBLUHLNCZGKWQM-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574232 1237998994 /nfs/dbraw/zinc/99/89/94/1237998994.db2.gz STMPAQSDNFGQRX-KNJMJIDISA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842519 1242383897 /nfs/dbraw/zinc/38/38/97/1242383897.db2.gz LSXQQYMDPXYLDM-WOJBJXKFSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913391 1242675677 /nfs/dbraw/zinc/67/56/77/1242675677.db2.gz WPRXRMBYBQXWMY-RTBURBONSA-N 2 0 325.456 2.060 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050728772 1244229664 /nfs/dbraw/zinc/22/96/64/1244229664.db2.gz VGCKUKWPIFNMQL-OAHLLOKOSA-N 2 0 325.884 2.005 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cccc2C1 ZINC001051299467 1245499434 /nfs/dbraw/zinc/49/94/34/1245499434.db2.gz LOKHPTZQSUTWMF-UZLBHIALSA-N 2 0 341.499 2.435 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029539 1245713305 /nfs/dbraw/zinc/71/33/05/1245713305.db2.gz SRCXQDANJBIREA-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032965 1245725886 /nfs/dbraw/zinc/72/58/86/1245725886.db2.gz QKZUETCSHBWQSB-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001101558820 1245960928 /nfs/dbraw/zinc/96/09/28/1245960928.db2.gz IHHNGRMNVPDINK-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129432 1247471792 /nfs/dbraw/zinc/47/17/92/1247471792.db2.gz QSJHNYWYCLVMGL-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159248 1247564042 /nfs/dbraw/zinc/56/40/42/1247564042.db2.gz UTFPPAMUIUAVAS-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054181847 1247633498 /nfs/dbraw/zinc/63/34/98/1247633498.db2.gz AFHBGVMVEAASDJ-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199224 1247694913 /nfs/dbraw/zinc/69/49/13/1247694913.db2.gz QIKBIERIXCCTQX-RDJZCZTQSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209761 1247725965 /nfs/dbraw/zinc/72/59/65/1247725965.db2.gz XFDZJPTVJSTJPL-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281549 1247998095 /nfs/dbraw/zinc/99/80/95/1247998095.db2.gz PPMXXILLUDRGEN-DNVCBOLYSA-N 2 0 327.472 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC)C3)CC1 ZINC001099174549 1257994193 /nfs/dbraw/zinc/99/41/93/1257994193.db2.gz SJEQNGUGCIXYDJ-ICSRJNTNSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250281 1258035495 /nfs/dbraw/zinc/03/54/95/1258035495.db2.gz FJLGLVSCJOFUSJ-MCIONIFRSA-N 2 0 333.398 2.024 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099583408 1258226704 /nfs/dbraw/zinc/22/67/04/1258226704.db2.gz QVPRUURFGIXETN-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC(C)C)[C@H](C)C2)CC1 ZINC001185730899 1278767071 /nfs/dbraw/zinc/76/70/71/1278767071.db2.gz ORTCQHONWVBTNR-IEBWSBKVSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200976627 1287225341 /nfs/dbraw/zinc/22/53/41/1287225341.db2.gz VYERXVCRGLXRSO-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188189627 1279786974 /nfs/dbraw/zinc/78/69/74/1279786974.db2.gz OFQPCELXOOSEDO-GBESFXJTSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483573 1280632818 /nfs/dbraw/zinc/63/28/18/1280632818.db2.gz JAILMWGWQSVNMQ-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711413 1283885494 /nfs/dbraw/zinc/88/54/94/1283885494.db2.gz CWGUTUCJOJVMJZ-CTNGQTDRSA-N 2 0 341.499 2.442 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1OC ZINC001198946028 1285465571 /nfs/dbraw/zinc/46/55/71/1285465571.db2.gz SUJBSYIYWIOCBU-GOSISDBHSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CCCO1 ZINC001201668728 1289707094 /nfs/dbraw/zinc/70/70/94/1289707094.db2.gz KNNGEWQPLFGVEX-ROUUACIJSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCCO1 ZINC001201849640 1289787084 /nfs/dbraw/zinc/78/70/84/1289787084.db2.gz XPAGRZQVAPTTAG-OALUTQOASA-N 2 0 345.487 2.073 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882612 1296266394 /nfs/dbraw/zinc/26/63/94/1296266394.db2.gz GUKVHSCLDWXDKM-UHFFFAOYSA-N 2 0 331.504 2.197 20 30 EEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C[C@@H]2CCCOC2)CC3)cc1C#N ZINC001276717621 1296718993 /nfs/dbraw/zinc/71/89/93/1296718993.db2.gz ANAIWHQDNNOQEL-KRWDZBQOSA-N 2 0 342.487 2.221 20 30 EEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001219989933 1298211305 /nfs/dbraw/zinc/21/13/05/1298211305.db2.gz VCJARJCHHAUYHA-KRWDZBQOSA-N 2 0 330.476 2.405 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C1 ZINC001220977054 1298606729 /nfs/dbraw/zinc/60/67/29/1298606729.db2.gz XWQVFCGUUOGRDZ-IBGZPJMESA-N 2 0 345.462 2.162 20 30 EEEDRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC1 ZINC001221395020 1298808085 /nfs/dbraw/zinc/80/80/85/1298808085.db2.gz LRUMOFMQAMWOQX-OTWHNJEPSA-N 2 0 342.487 2.197 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001101541479 1299685509 /nfs/dbraw/zinc/68/55/09/1299685509.db2.gz IDNKSBJZKAPVTE-IBGZPJMESA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601801 1301274892 /nfs/dbraw/zinc/27/48/92/1301274892.db2.gz QFSZAALAVHAVHX-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536961 1303084211 /nfs/dbraw/zinc/08/42/11/1303084211.db2.gz KXOLJWIIOJSVEL-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001103631294 1303175726 /nfs/dbraw/zinc/17/57/26/1303175726.db2.gz GTOHKJBHYGFWQT-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230781289 1303452077 /nfs/dbraw/zinc/45/20/77/1303452077.db2.gz INPHABKJQSVHDT-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849818 1303500675 /nfs/dbraw/zinc/50/06/75/1303500675.db2.gz XPHVFSYTAOEFRW-SFHVURJKSA-N 2 0 332.492 2.306 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166046 1304290543 /nfs/dbraw/zinc/29/05/43/1304290543.db2.gz BGQHEVGYNKISBD-RRFJBIMHSA-N 2 0 347.425 2.416 20 30 EEEDRP N#CC1(NC(=O)[C@@H]2CCC[C@@]23CC[N@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821084 1304659663 /nfs/dbraw/zinc/65/96/63/1304659663.db2.gz CRXJKVBYFKLLKC-HKUYNNGSSA-N 2 0 344.503 2.041 20 30 EEEDRP OC[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235002546 1305080450 /nfs/dbraw/zinc/08/04/50/1305080450.db2.gz RNEUQOQZNVTWGF-YADHBBJMSA-N 2 0 332.447 2.100 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246304514 1310276342 /nfs/dbraw/zinc/27/63/42/1310276342.db2.gz NHQRALOETMIGGC-ZOBUZTSGSA-N 2 0 325.497 2.112 20 30 EEEDRP N#Cc1ccc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)c2ccccc12 ZINC001247829799 1310735134 /nfs/dbraw/zinc/73/51/34/1310735134.db2.gz JRMXXEGTBQAGLQ-INIZCTEOSA-N 2 0 331.379 2.038 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001149399795 1315958434 /nfs/dbraw/zinc/95/84/34/1315958434.db2.gz TXOQFHNZJOXUDG-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149727901 1316027520 /nfs/dbraw/zinc/02/75/20/1316027520.db2.gz QLPACUGHZWRBHQ-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841848 1316062397 /nfs/dbraw/zinc/06/23/97/1316062397.db2.gz KYRZLZGQILMOIO-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946690 1316098620 /nfs/dbraw/zinc/09/86/20/1316098620.db2.gz MBSWUBSNMSLVAD-MSOLQXFVSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001151403002 1316521723 /nfs/dbraw/zinc/52/17/23/1316521723.db2.gz RBHOWABETVOVTP-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C1C[NH2+][C@](C)(c2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)no2)C1 ZINC001249232079 1317030006 /nfs/dbraw/zinc/03/00/06/1317030006.db2.gz VJHCNQOHOKLYEQ-IBGZPJMESA-N 2 0 339.443 2.253 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226078 1317509268 /nfs/dbraw/zinc/50/92/68/1317509268.db2.gz GUSZIKCSMJQXCN-DLBZAZTESA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H]1CN(O)C(=O)[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255131085 1318293802 /nfs/dbraw/zinc/29/38/02/1318293802.db2.gz XWENBOWNMWBHTP-JFMONLCZSA-N 2 0 329.444 2.008 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258727172 1319328664 /nfs/dbraw/zinc/32/86/64/1319328664.db2.gz CIWVCNKMWZAJDU-QGZVFWFLSA-N 2 0 347.507 2.451 20 30 EEEDRP N#Cc1cccc(Oc2nc(Cl)ncc2N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159788110 1319991000 /nfs/dbraw/zinc/99/10/00/1319991000.db2.gz HHEMBNBUKSDXAJ-ZDUSSCGKSA-N 2 0 332.795 2.230 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)CC1 ZINC001161946840 1320688215 /nfs/dbraw/zinc/68/82/15/1320688215.db2.gz HRIRQWJMQMMPLM-UHFFFAOYSA-N 2 0 343.515 2.270 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001163831861 1321228815 /nfs/dbraw/zinc/22/88/15/1321228815.db2.gz AWMNAFDPZCZBGO-UHFFFAOYSA-N 2 0 345.462 2.148 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001166677188 1321762664 /nfs/dbraw/zinc/76/26/64/1321762664.db2.gz GMPJSMGQRTXHEC-INIZCTEOSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001263109815 1322434597 /nfs/dbraw/zinc/43/45/97/1322434597.db2.gz GXABFFBNICQGBV-CGTJXYLNSA-N 2 0 333.451 2.319 20 30 EEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001205457478 1323144028 /nfs/dbraw/zinc/14/40/28/1323144028.db2.gz AJHHMELMRYYLQH-LJQANCHMSA-N 2 0 349.519 2.034 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206952476 1323738798 /nfs/dbraw/zinc/73/87/98/1323738798.db2.gz QJRAGERPJBBJNX-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334120 1324432988 /nfs/dbraw/zinc/43/29/88/1324432988.db2.gz FVQBXIGOWRYUCG-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001209162263 1324829881 /nfs/dbraw/zinc/82/98/81/1324829881.db2.gz UNAGARDHQGWOMO-QYZOEREBSA-N 2 0 329.492 2.419 20 30 EEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209726107 1325022728 /nfs/dbraw/zinc/02/27/28/1325022728.db2.gz VMQPXCFOVNORSB-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210482398 1325303611 /nfs/dbraw/zinc/30/36/11/1325303611.db2.gz NDKBSSFVYBBXHE-LJQANCHMSA-N 2 0 345.462 2.100 20 30 EEEDRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001579530167 1344392849 /nfs/dbraw/zinc/39/28/49/1344392849.db2.gz RBQKVKFZCMXXAB-OXJNMPFZSA-N 2 0 337.471 2.385 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001374164676 1376604131 /nfs/dbraw/zinc/60/41/31/1376604131.db2.gz CKAASDAKZQGFIK-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001374445476 1376823826 /nfs/dbraw/zinc/82/38/26/1376823826.db2.gz WBEVLJIDEFNNMZ-RBUKOAKNSA-N 2 0 344.503 2.375 20 30 EEEDRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377949602 1379590521 /nfs/dbraw/zinc/59/05/21/1379590521.db2.gz QXSUFJINZWUASC-GOSISDBHSA-N 2 0 344.503 2.473 20 30 EEEDRP C=C(Br)C[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001378371532 1379893570 /nfs/dbraw/zinc/89/35/70/1379893570.db2.gz GPXQCWAVNADXLY-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001379186037 1380624056 /nfs/dbraw/zinc/62/40/56/1380624056.db2.gz FSAAWZQFTRWGMJ-CYBMUJFWSA-N 2 0 333.823 2.070 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001390537669 1388673692 /nfs/dbraw/zinc/67/36/92/1388673692.db2.gz YDCNCGRSSFRTAN-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001379317274 1380677321 /nfs/dbraw/zinc/67/73/21/1380677321.db2.gz DMVYSMWXSPILGH-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001752772377 1406380354 /nfs/dbraw/zinc/38/03/54/1406380354.db2.gz CJMQXVTZCYABSZ-HDICACEKSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122976 1390622543 /nfs/dbraw/zinc/62/25/43/1390622543.db2.gz GOZNPFRTOYLJLF-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719248 1395438875 /nfs/dbraw/zinc/43/88/75/1395438875.db2.gz ILLYOGDYSLVZHR-GOSISDBHSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401157696 1396992881 /nfs/dbraw/zinc/99/28/81/1396992881.db2.gz VDPAMUMUMPPKQI-OAHLLOKOSA-N 2 0 348.516 2.338 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001402530060 1398040537 /nfs/dbraw/zinc/04/05/37/1398040537.db2.gz OEBFRZOWDRLYMU-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403058902 1398328253 /nfs/dbraw/zinc/32/82/53/1398328253.db2.gz RZIKXXJOOOTSSY-SFHVURJKSA-N 2 0 342.487 2.227 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403058899 1398328529 /nfs/dbraw/zinc/32/85/29/1398328529.db2.gz RZIKXXJOOOTSSY-GOSISDBHSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423327594 1400526062 /nfs/dbraw/zinc/52/60/62/1400526062.db2.gz PONFSBSXWNOXCF-CZUORRHYSA-N 2 0 346.500 2.041 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423960 1400574372 /nfs/dbraw/zinc/57/43/72/1400574372.db2.gz ZWMPVQGDJOEUOM-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138426 1407147876 /nfs/dbraw/zinc/14/78/76/1407147876.db2.gz MODXYIJOVZCVHF-HOTGVXAUSA-N 2 0 327.488 2.459 20 30 EEEDRP C#CC[NH2+][C@H](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC001755725584 1407786796 /nfs/dbraw/zinc/78/67/96/1407786796.db2.gz ANLPHIQEDPWHLD-HXUWFJFHSA-N 2 0 341.499 2.059 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC001755852236 1407904216 /nfs/dbraw/zinc/90/42/16/1407904216.db2.gz QLLRKTZCVKPKHP-KGLIPLIRSA-N 2 0 345.409 2.027 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691565048 1410397132 /nfs/dbraw/zinc/39/71/32/1410397132.db2.gz WVMGCZONESFSEJ-RBUKOAKNSA-N 2 0 342.487 2.426 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537005 1411034420 /nfs/dbraw/zinc/03/44/20/1411034420.db2.gz RNQWCHZHLSQCCD-ZWKOTPCHSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104257000 757740308 /nfs/dbraw/zinc/74/03/08/757740308.db2.gz ZSMBYUUDFYTCTR-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021196 782780157 /nfs/dbraw/zinc/78/01/57/782780157.db2.gz ZOGDSSDZOUZNHI-MSOLQXFVSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564547 770408697 /nfs/dbraw/zinc/40/86/97/770408697.db2.gz BQPBBKNTETVETB-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@@H](C)C2)CC1 ZINC000948069222 770969158 /nfs/dbraw/zinc/96/91/58/770969158.db2.gz DMINGSABINYWAF-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718889 783049535 /nfs/dbraw/zinc/04/95/35/783049535.db2.gz DKAGGCNSWCFAOD-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)[C@H](C)C2)CC1 ZINC000948070320 773435166 /nfs/dbraw/zinc/43/51/66/773435166.db2.gz OLJSUJBGMCLXBO-WCWGKUCCSA-N 2 0 337.895 2.053 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649226 773742173 /nfs/dbraw/zinc/74/21/73/773742173.db2.gz DZEYXPDARKKTGD-IAGOWNOFSA-N 2 0 342.487 2.391 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980215651 774125468 /nfs/dbraw/zinc/12/54/68/774125468.db2.gz HXXUTPVHKLGLHA-ZCNNSNEGSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531524 774922660 /nfs/dbraw/zinc/92/26/60/774922660.db2.gz BINVBHFIIZEIAB-PXNSSMCTSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169073 776661599 /nfs/dbraw/zinc/66/15/99/776661599.db2.gz NBRRAVPSTPUTJU-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)CC1 ZINC001091377749 790505604 /nfs/dbraw/zinc/50/56/04/790505604.db2.gz YEAFZGVWRNMVMQ-UHFFFAOYSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001089828279 777215957 /nfs/dbraw/zinc/21/59/57/777215957.db2.gz RXKBCCUDPNNLJT-LDTOTXGLSA-N 2 0 348.450 2.058 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862879 790924294 /nfs/dbraw/zinc/92/42/94/790924294.db2.gz YRNZLOUOBSGMNT-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001135314712 783597281 /nfs/dbraw/zinc/59/72/81/783597281.db2.gz GAGWPVKYJOYWKF-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472519 783829332 /nfs/dbraw/zinc/82/93/32/783829332.db2.gz ZTUZEPFBOSXWOC-SJORKVTESA-N 2 0 329.488 2.301 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185674 784024517 /nfs/dbraw/zinc/02/45/17/784024517.db2.gz ZBBFKMNSGOGIJE-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256564 784205063 /nfs/dbraw/zinc/20/50/63/784205063.db2.gz ITOXNUSWPUPEGF-HDICACEKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC001035257867 784209477 /nfs/dbraw/zinc/20/94/77/784209477.db2.gz YNZUJNRCHAGUNN-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000923284112 789282348 /nfs/dbraw/zinc/28/23/48/789282348.db2.gz HPRMICYLWSNTLO-CRAIPNDOSA-N 2 0 348.487 2.223 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946902753 789585849 /nfs/dbraw/zinc/58/58/49/789585849.db2.gz XLAOMUCYNHTZFJ-HDICACEKSA-N 2 0 339.483 2.165 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997395366 789889669 /nfs/dbraw/zinc/88/96/69/789889669.db2.gz JFDRKXCRGSKECF-OAHLLOKOSA-N 2 0 328.460 2.001 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591911 791360436 /nfs/dbraw/zinc/36/04/36/791360436.db2.gz IGGYIWHIYFLMLF-CVEARBPZSA-N 2 0 330.476 2.271 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001146610155 791373590 /nfs/dbraw/zinc/37/35/90/791373590.db2.gz IACMCRWXUBWDRV-JKSUJKDBSA-N 2 0 347.528 2.466 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330038 792342650 /nfs/dbraw/zinc/34/26/50/792342650.db2.gz RCGCRQXTRKQCEA-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939372 793026598 /nfs/dbraw/zinc/02/65/98/793026598.db2.gz OXKGSOIVBLXXQH-QGZVFWFLSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951229 793083092 /nfs/dbraw/zinc/08/30/92/793083092.db2.gz YBVSSRYZBZQAAO-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311774 793630461 /nfs/dbraw/zinc/63/04/61/793630461.db2.gz BRGNOUGMRVGKRY-UYAOXDASSA-N 2 0 325.456 2.108 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992408392 793981874 /nfs/dbraw/zinc/98/18/74/793981874.db2.gz RSVTZVDJIDRPQD-FPOVZHCZSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540448 794433396 /nfs/dbraw/zinc/43/33/96/794433396.db2.gz XEJAWTPCROLKOD-ZJOUEHCJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754945 794785107 /nfs/dbraw/zinc/78/51/07/794785107.db2.gz OGXCKMUQETZJQP-SJLPKXTDSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225753 794881740 /nfs/dbraw/zinc/88/17/40/794881740.db2.gz RPZNYZNDNBBYPZ-SJLPKXTDSA-N 2 0 327.472 2.069 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093363290 795090351 /nfs/dbraw/zinc/09/03/51/795090351.db2.gz YMNDYCLLPRKKTM-ROUUACIJSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001079879116 795313037 /nfs/dbraw/zinc/31/30/37/795313037.db2.gz ABSDISLBOVDJSG-QRQLOZEOSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415699 796204132 /nfs/dbraw/zinc/20/41/32/796204132.db2.gz ZNMURSAVPMUZBB-NLWGTHIKSA-N 2 0 331.504 2.265 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421369 796210261 /nfs/dbraw/zinc/21/02/61/796210261.db2.gz VMGQAFGTCFANFD-JRBPQWBISA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902501 796440779 /nfs/dbraw/zinc/44/07/79/796440779.db2.gz LLWYTPJILQQRMG-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC(=C)C)C2)CC1 ZINC001036903031 796441391 /nfs/dbraw/zinc/44/13/91/796441391.db2.gz ULMWOKUAHJRCNJ-PMACEKPBSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCC3)C2)CC1 ZINC001036903149 796441473 /nfs/dbraw/zinc/44/14/73/796441473.db2.gz WPBWUCVCZLFSRB-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993579337 796806554 /nfs/dbraw/zinc/80/65/54/796806554.db2.gz SFCQUTUQNUOBOC-WBVHZDCISA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001095041343 797265191 /nfs/dbraw/zinc/26/51/91/797265191.db2.gz XMEXHZRDUPMAIX-KKUMJFAQSA-N 2 0 348.878 2.483 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC=C(C)C)CC2)CC1 ZINC001002144489 797622097 /nfs/dbraw/zinc/62/20/97/797622097.db2.gz GRTQJZFAUKHAET-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)[C@@H]2C)CC1 ZINC000994501186 798107330 /nfs/dbraw/zinc/10/73/30/798107330.db2.gz SEPPHIMQSKNYNR-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581018 798167477 /nfs/dbraw/zinc/16/74/77/798167477.db2.gz HGELBIZZHUFJQG-KRWDZBQOSA-N 2 0 339.524 2.186 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084767784 798439006 /nfs/dbraw/zinc/43/90/06/798439006.db2.gz JCBGIQJVHWQEER-GUDVDZBRSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)CC1 ZINC001176736391 798542271 /nfs/dbraw/zinc/54/22/71/798542271.db2.gz BPHPJUGGDBKFDS-QGZVFWFLSA-N 2 0 333.520 2.396 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032125 799759256 /nfs/dbraw/zinc/75/92/56/799759256.db2.gz HDVXZCULDUMTQW-YJBOKZPZSA-N 2 0 342.443 2.038 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561851 799974501 /nfs/dbraw/zinc/97/45/01/799974501.db2.gz UAWMBFYMZMIXPK-SQNIBIBYSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001179539254 799982787 /nfs/dbraw/zinc/98/27/87/799982787.db2.gz SKAYHRLCFUHQJL-RDJZCZTQSA-N 2 0 346.475 2.429 20 30 EEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179935338 800167971 /nfs/dbraw/zinc/16/79/71/800167971.db2.gz BVYONDBBRXUOOT-IRXDYDNUSA-N 2 0 327.513 2.114 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C/C=C\Cl)CC1 ZINC001180360264 800377205 /nfs/dbraw/zinc/37/72/05/800377205.db2.gz APCSWGKDCHTQER-YFHOEESVSA-N 2 0 339.911 2.350 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001181993337 800987110 /nfs/dbraw/zinc/98/71/10/800987110.db2.gz YUXUJEALIQJQPW-FOIQADDNSA-N 2 0 338.455 2.354 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086402094 802895269 /nfs/dbraw/zinc/89/52/69/802895269.db2.gz HQPFENOXYFWHCV-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108345011 803341969 /nfs/dbraw/zinc/34/19/69/803341969.db2.gz WMBLCICJPFNKTO-IBGZPJMESA-N 2 0 349.519 2.036 20 30 EEEDRP CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527611 803825639 /nfs/dbraw/zinc/82/56/39/803825639.db2.gz XZVMRBJWGGRSEA-VAMGGRTRSA-N 2 0 340.471 2.251 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830460 804554313 /nfs/dbraw/zinc/55/43/13/804554313.db2.gz NFZVSTFOEGYVCE-IHPCNDPISA-N 2 0 339.483 2.354 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834106 804559264 /nfs/dbraw/zinc/55/92/64/804559264.db2.gz CFNYPHCSWMHEBC-OTWHNJEPSA-N 2 0 331.504 2.245 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437026001 1088825133 /nfs/dbraw/zinc/82/51/33/1088825133.db2.gz ZJUITKLVKFDPAZ-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2C#N)C1 ZINC001494172452 1103640019 /nfs/dbraw/zinc/64/00/19/1103640019.db2.gz PSRVQELAGGZGQV-QGZVFWFLSA-N 2 0 342.487 2.180 20 30 EEEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000180997458 234056922 /nfs/dbraw/zinc/05/69/22/234056922.db2.gz DYLCSFUZLVIEJA-MRXNPFEDSA-N 2 0 327.453 2.476 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000491808545 533101295 /nfs/dbraw/zinc/10/12/95/533101295.db2.gz WFDGCRNGZWWLKD-RTBURBONSA-N 2 0 348.535 2.238 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000491717182 533105484 /nfs/dbraw/zinc/10/54/84/533105484.db2.gz VNFJIJOOTVITCQ-LJQANCHMSA-N 2 0 338.455 2.094 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000491041653 468290624 /nfs/dbraw/zinc/29/06/24/468290624.db2.gz ZZOWGDIQOKDOOG-UHFFFAOYSA-N 2 0 333.520 2.445 20 30 EEEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)NC[C@@]1(C)CCCS1 ZINC000159272105 463277533 /nfs/dbraw/zinc/27/75/33/463277533.db2.gz QMFDAPAFPMIUJJ-QGZVFWFLSA-N 2 0 344.488 2.218 20 30 EEEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)NC[C@]1(C)CCCS1 ZINC000159272247 463277852 /nfs/dbraw/zinc/27/78/52/463277852.db2.gz QMFDAPAFPMIUJJ-KRWDZBQOSA-N 2 0 344.488 2.218 20 30 EEEDRP CC[NH+]=C(NCc1cc(F)ccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000125606590 463561129 /nfs/dbraw/zinc/56/11/29/463561129.db2.gz QVUZFHRNBZJZFJ-INIZCTEOSA-N 2 0 334.414 2.376 20 30 EEEDRP C#CC[NH+]1CCC(c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000277725382 463929341 /nfs/dbraw/zinc/92/93/41/463929341.db2.gz BARIFROOZMQFDZ-UHFFFAOYSA-N 2 0 334.383 2.130 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000287725587 463981551 /nfs/dbraw/zinc/98/15/51/463981551.db2.gz NVHPOQVYCVZALO-GOSISDBHSA-N 2 0 348.466 2.378 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000263665340 464145224 /nfs/dbraw/zinc/14/52/24/464145224.db2.gz DOAQGAQLVZGCGB-SFHVURJKSA-N 2 0 343.471 2.186 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1csc(CC[NH3+])n1)C(C)C ZINC000279909255 464164597 /nfs/dbraw/zinc/16/45/97/464164597.db2.gz LAFGXZCZNAASTO-OAHLLOKOSA-N 2 0 336.505 2.073 20 30 EEEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264066247 464278572 /nfs/dbraw/zinc/27/85/72/464278572.db2.gz FGIUKESOXMNSBO-IYBDPMFKSA-N 2 0 332.492 2.356 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176972739 464897007 /nfs/dbraw/zinc/89/70/07/464897007.db2.gz QFXNOCONSFDNLC-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP Cc1nccn1CCC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000299559430 465801156 /nfs/dbraw/zinc/80/11/56/465801156.db2.gz GOMZPIILIUOQIQ-HNNXBMFYSA-N 2 0 343.456 2.252 20 30 EEEDRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000592018502 468598483 /nfs/dbraw/zinc/59/84/83/468598483.db2.gz UMMVXDQLOMNVHQ-GOSISDBHSA-N 2 0 328.460 2.051 20 30 EEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600718256 468632448 /nfs/dbraw/zinc/63/24/48/468632448.db2.gz WOHDEMLWXMSEHG-HKUYNNGSSA-N 2 0 345.487 2.400 20 30 EEEDRP C[C@H](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000570837069 468702297 /nfs/dbraw/zinc/70/22/97/468702297.db2.gz PRLVWIGUKNJLDG-AEFFLSMTSA-N 2 0 331.460 2.152 20 30 EEEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682177 470610517 /nfs/dbraw/zinc/61/05/17/470610517.db2.gz LWTVJGVEIHADDH-KRWDZBQOSA-N 2 0 330.476 2.407 20 30 EEEDRP C=C(C)COc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1OC ZINC000106485682 526661251 /nfs/dbraw/zinc/66/12/51/526661251.db2.gz RRGNGRYMLAGRGI-KRWDZBQOSA-N 2 0 347.503 2.376 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000732229487 577158786 /nfs/dbraw/zinc/15/87/86/577158786.db2.gz AVWQFVHGEAKTLB-WMZOPIPTSA-N 2 0 331.460 2.304 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000764646403 577740858 /nfs/dbraw/zinc/74/08/58/577740858.db2.gz CLURCFBFHHHMCP-SFHVURJKSA-N 2 0 331.460 2.066 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020590127 675221757 /nfs/dbraw/zinc/22/17/57/675221757.db2.gz MWAGFVVHBQOGQX-XJKCOSOUSA-N 2 0 331.863 2.188 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242868 676256196 /nfs/dbraw/zinc/25/61/96/676256196.db2.gz CUQVAQQTLVJGQP-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619004 676272605 /nfs/dbraw/zinc/27/26/05/676272605.db2.gz IUSOEHLBKNIWCR-LPHOPBHVSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707791 676366737 /nfs/dbraw/zinc/36/67/37/676366737.db2.gz YGKZWIJSRMJFNW-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706548 676366843 /nfs/dbraw/zinc/36/68/43/676366843.db2.gz LSUMNIGWGIDXEV-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022436213 677697450 /nfs/dbraw/zinc/69/74/50/677697450.db2.gz IKSKZUOFWRLDIT-BETUJISGSA-N 2 0 349.232 2.093 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972401504 678686295 /nfs/dbraw/zinc/68/62/95/678686295.db2.gz CBXWLRJUKVYCKT-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369140 679276201 /nfs/dbraw/zinc/27/62/01/679276201.db2.gz AMCQMWWSAQSJTH-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000972687400 679602770 /nfs/dbraw/zinc/60/27/70/679602770.db2.gz GTZHIYARGNCGDI-FQEVSTJZSA-N 2 0 349.519 2.132 20 30 EEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001024618235 681285829 /nfs/dbraw/zinc/28/58/29/681285829.db2.gz RTJISMLWQIPDSQ-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834430 681356958 /nfs/dbraw/zinc/35/69/58/681356958.db2.gz ZLEJJTMSTLUWCH-SESVDKBCSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301265 682414279 /nfs/dbraw/zinc/41/42/79/682414279.db2.gz IMXFPTDSVKLDHO-RBUKOAKNSA-N 2 0 331.504 2.341 20 30 EEEDRP C[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262012289 682840690 /nfs/dbraw/zinc/84/06/90/682840690.db2.gz WWVYAGMPTUITRU-ROUUACIJSA-N 2 0 346.523 2.073 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001025577139 683034259 /nfs/dbraw/zinc/03/42/59/683034259.db2.gz QHZPZDLFPQZQLU-JKSUJKDBSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]12 ZINC001026404165 684576746 /nfs/dbraw/zinc/57/67/46/684576746.db2.gz PWZQZPCCSOZOEN-DJIMGWMZSA-N 2 0 328.460 2.164 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001026560216 684745079 /nfs/dbraw/zinc/74/50/79/684745079.db2.gz GRQAXDUHRBORIL-UHFFFAOYSA-N 2 0 327.900 2.488 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC#Cc2ccccc2)cc1 ZINC000893352222 684820522 /nfs/dbraw/zinc/82/05/22/684820522.db2.gz HNWGYXIPSLBZNY-UHFFFAOYSA-N 2 0 335.451 2.119 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608719 685123126 /nfs/dbraw/zinc/12/31/26/685123126.db2.gz XXTMHKAIZWRRCH-SJLPKXTDSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CCN1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974647198 685149916 /nfs/dbraw/zinc/14/99/16/685149916.db2.gz SIYWCMNKDJVVSO-OAHLLOKOSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979114319 694191470 /nfs/dbraw/zinc/19/14/70/694191470.db2.gz KIMPHBYNRPUHFP-NNZMDNLPSA-N 2 0 343.471 2.052 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262749614 688346035 /nfs/dbraw/zinc/34/60/35/688346035.db2.gz BLLFJPZQOZUPFN-TWMKSMIVSA-N 2 0 336.524 2.229 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000986547675 688685533 /nfs/dbraw/zinc/68/55/33/688685533.db2.gz HDCSZNNWVNTZTQ-ZBFHGGJFSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C[C@H]2C)CC1 ZINC000989829054 692372025 /nfs/dbraw/zinc/37/20/25/692372025.db2.gz NMRNOLLGXNITKX-YLJYHZDGSA-N 2 0 339.483 2.111 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027578537 693202542 /nfs/dbraw/zinc/20/25/42/693202542.db2.gz NCDTVWBNPCNVCE-YOEHRIQHSA-N 2 0 348.516 2.383 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC000978421598 693588667 /nfs/dbraw/zinc/58/86/67/693588667.db2.gz XPSDJIPWDNFMGI-AKHDSKFASA-N 2 0 333.520 2.367 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001088345738 1186621396 /nfs/dbraw/zinc/62/13/96/1186621396.db2.gz WGUDTNYBGGGWOE-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP CCN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482962362 1187896094 /nfs/dbraw/zinc/89/60/94/1187896094.db2.gz AYERIGSTSYOYCN-GOSISDBHSA-N 2 0 348.466 2.222 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001105539918 1188161110 /nfs/dbraw/zinc/16/11/10/1188161110.db2.gz SSDYUHUPDSEIHK-OTWHNJEPSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559945 1188176204 /nfs/dbraw/zinc/17/62/04/1188176204.db2.gz XYDWYVKFYMGWRT-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559946 1188176392 /nfs/dbraw/zinc/17/63/92/1188176392.db2.gz XYDWYVKFYMGWRT-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+]1CCCCC1 ZINC001483296329 1190323545 /nfs/dbraw/zinc/32/35/45/1190323545.db2.gz DJDRVNOWULVYIM-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001483951955 1191129461 /nfs/dbraw/zinc/12/94/61/1191129461.db2.gz NQFNALOEHSZABG-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486207349 1193720435 /nfs/dbraw/zinc/72/04/35/1193720435.db2.gz QKYAPJSTKBOZJU-GJZGRUSLSA-N 2 0 325.884 2.242 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034005376 1195648292 /nfs/dbraw/zinc/64/82/92/1195648292.db2.gz WEGSKHFCXMFDLY-SFHVURJKSA-N 2 0 339.443 2.380 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001034743847 1196648904 /nfs/dbraw/zinc/64/89/04/1196648904.db2.gz CPHBJTSPWLIRTM-QAQDUYKDSA-N 2 0 337.427 2.041 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034747710 1196664207 /nfs/dbraw/zinc/66/42/07/1196664207.db2.gz JNFNVJISEAYBGG-WKILWMFISA-N 2 0 327.900 2.488 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144481 1197014734 /nfs/dbraw/zinc/01/47/34/1197014734.db2.gz QGNTZQFXHZXTEL-QUCCMNQESA-N 2 0 346.519 2.337 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000813681060 1199142909 /nfs/dbraw/zinc/14/29/09/1199142909.db2.gz VJFZDAQCVLTXGH-SFHVURJKSA-N 2 0 333.476 2.311 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607087 1199699257 /nfs/dbraw/zinc/69/92/57/1199699257.db2.gz DBRNGRRTVYDPGB-QZTJIDSGSA-N 2 0 341.499 2.395 20 30 EEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000876723910 1199741221 /nfs/dbraw/zinc/74/12/21/1199741221.db2.gz ZTJMDLQOWGWOTH-IRXDYDNUSA-N 2 0 335.879 2.409 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086696453 1200174009 /nfs/dbraw/zinc/17/40/09/1200174009.db2.gz KYRIQWALSLNBEA-RCCFBDPRSA-N 2 0 331.504 2.149 20 30 EEEDRP CN1CC[NH+](C2CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000879596850 1201164179 /nfs/dbraw/zinc/16/41/79/1201164179.db2.gz SIZJZUPDDDHCEA-UHFFFAOYSA-N 2 0 332.879 2.423 20 30 EEEDRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)s3)(C1)CCC2 ZINC001275589777 1205433360 /nfs/dbraw/zinc/43/33/60/1205433360.db2.gz ZYICPGTZXFFFNQ-MSOLQXFVSA-N 2 0 346.500 2.233 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2c[nH]cn2)CC3)cc1C#N ZINC001276204346 1205832068 /nfs/dbraw/zinc/83/20/68/1205832068.db2.gz XTKHLXKINHSAEK-UHFFFAOYSA-N 2 0 338.459 2.108 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110959420 1206445164 /nfs/dbraw/zinc/44/51/64/1206445164.db2.gz LEQWTWGCMXDGIU-QRVBRYPASA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642669 1209268834 /nfs/dbraw/zinc/26/88/34/1209268834.db2.gz NASCAGGMPHEJND-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCN1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000949487286 1209710121 /nfs/dbraw/zinc/71/01/21/1209710121.db2.gz PEQNHMIKZFOKFN-GOSISDBHSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000949531649 1209730937 /nfs/dbraw/zinc/73/09/37/1209730937.db2.gz NVNGDXUXWBHGEK-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537829 1209907086 /nfs/dbraw/zinc/90/70/86/1209907086.db2.gz RTOBWJWXLNUXOU-IEBWSBKVSA-N 2 0 344.503 2.324 20 30 EEEDRP Cc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)cc1 ZINC000303903193 1213924431 /nfs/dbraw/zinc/92/44/31/1213924431.db2.gz YHGJETRCHVIZPP-QGZVFWFLSA-N 2 0 332.517 2.495 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC1 ZINC000957585769 1215230776 /nfs/dbraw/zinc/23/07/76/1215230776.db2.gz KNGLOPGMVZKWLT-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000957647447 1215294883 /nfs/dbraw/zinc/29/48/83/1215294883.db2.gz ILGKJPRLMYIOKM-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961025670 1217012400 /nfs/dbraw/zinc/01/24/00/1217012400.db2.gz BIRZJJCAIBCUBW-LJQANCHMSA-N 2 0 340.471 2.077 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192880 1217080307 /nfs/dbraw/zinc/08/03/07/1217080307.db2.gz DBEUAZVZGIVNIM-RTBURBONSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374152 1217163056 /nfs/dbraw/zinc/16/30/56/1217163056.db2.gz JWJYSCBNNKSHDD-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961377768 1217165320 /nfs/dbraw/zinc/16/53/20/1217165320.db2.gz ZOQXXDJZGJKJBZ-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327543 1217523172 /nfs/dbraw/zinc/52/31/72/1217523172.db2.gz DFCRTPXAZWONBE-IEBWSBKVSA-N 2 0 336.439 2.284 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037859235 1219615731 /nfs/dbraw/zinc/61/57/31/1219615731.db2.gz IMRICSDFLYYHKR-ZBFHGGJFSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968645038 1221460445 /nfs/dbraw/zinc/46/04/45/1221460445.db2.gz KTWYYWGPEBTDBB-MOPGFXCFSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887679 1221646834 /nfs/dbraw/zinc/64/68/34/1221646834.db2.gz JSQDRQPNIOILJI-RBUKOAKNSA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968966950 1221705118 /nfs/dbraw/zinc/70/51/18/1221705118.db2.gz FHEAWGURJMVKPH-HUUCEWRRSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661612 1226743869 /nfs/dbraw/zinc/74/38/69/1226743869.db2.gz GXUWWICHKSVVEE-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702184 1226797806 /nfs/dbraw/zinc/79/78/06/1226797806.db2.gz LUOIMMKNCQZSGW-ROUUACIJSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cccc(C)c3)C2)CC1 ZINC001019813783 1229359830 /nfs/dbraw/zinc/35/98/30/1229359830.db2.gz NAEGBELBWGDHGH-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155109 1230375508 /nfs/dbraw/zinc/37/55/08/1230375508.db2.gz MHLGEEDOPROYIA-IBGZPJMESA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174248 1230400904 /nfs/dbraw/zinc/40/09/04/1230400904.db2.gz PTNYMBSUMVZFHC-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233469 1230466593 /nfs/dbraw/zinc/46/65/93/1230466593.db2.gz BPLZBQQKULHYRJ-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208093 1231104227 /nfs/dbraw/zinc/10/42/27/1231104227.db2.gz IYTUGBGWGAUTIL-QUCCMNQESA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314594 1231165438 /nfs/dbraw/zinc/16/54/38/1231165438.db2.gz ULACPNREYOBVIC-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001040745245 1231355570 /nfs/dbraw/zinc/35/55/70/1231355570.db2.gz JRUZAOJBXPNBMP-OAHLLOKOSA-N 2 0 327.900 2.394 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912563 1231402829 /nfs/dbraw/zinc/40/28/29/1231402829.db2.gz QTTMWHZAWCMUDV-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357142 1231518045 /nfs/dbraw/zinc/51/80/45/1231518045.db2.gz FCMKUJHPXHMETG-CTNGQTDRSA-N 2 0 343.515 2.341 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045200855 1233576883 /nfs/dbraw/zinc/57/68/83/1233576883.db2.gz SIXJWDDMONFSOB-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045967083 1234247346 /nfs/dbraw/zinc/24/73/46/1234247346.db2.gz MUZGVRCJYNNJAZ-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525564 1237862897 /nfs/dbraw/zinc/86/28/97/1237862897.db2.gz XWFFQNXOIVJVIM-SWBPCFCJSA-N 2 0 343.515 2.243 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525561 1237863462 /nfs/dbraw/zinc/86/34/62/1237863462.db2.gz XWFFQNXOIVJVIM-FSGKZVOOSA-N 2 0 343.515 2.243 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001048529191 1237880138 /nfs/dbraw/zinc/88/01/38/1237880138.db2.gz IMNLLSWYNANWHL-XCDZQEORSA-N 2 0 331.504 2.099 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556755 1237955746 /nfs/dbraw/zinc/95/57/46/1237955746.db2.gz SMRGWKANCDXEJF-VBUUOAMHSA-N 2 0 343.471 2.337 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC001048590616 1238042911 /nfs/dbraw/zinc/04/29/11/1238042911.db2.gz QZPZSHJCJBRABB-GGPHIMKMSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818800 1238733808 /nfs/dbraw/zinc/73/38/08/1238733808.db2.gz NZNVPSMJFWFXBS-INDMIFKZSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CCC=C)CC3)CC2)CC1 ZINC001000332649 1240178861 /nfs/dbraw/zinc/17/88/61/1240178861.db2.gz CVDSPJHCJSXAPO-UHFFFAOYSA-N 2 0 343.515 2.269 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677644 1241851000 /nfs/dbraw/zinc/85/10/00/1241851000.db2.gz VNVBBIJEDITEGK-IAGOWNOFSA-N 2 0 329.444 2.043 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928056 1242749987 /nfs/dbraw/zinc/74/99/87/1242749987.db2.gz ZZQLDHGRRPKEFP-ZWKOTPCHSA-N 2 0 343.471 2.434 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103379 1242875002 /nfs/dbraw/zinc/87/50/02/1242875002.db2.gz GSXSVLAAXTVWPE-IPMKNSEASA-N 2 0 331.504 2.360 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165125 1243021916 /nfs/dbraw/zinc/02/19/16/1243021916.db2.gz VGYGYVDFJZNZEE-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)CC1 ZINC001111454808 1244592152 /nfs/dbraw/zinc/59/21/52/1244592152.db2.gz ADKRNQOGSVNAMC-AQNXPRMDSA-N 2 0 345.531 2.489 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cccc2C1 ZINC001051299853 1245500718 /nfs/dbraw/zinc/50/07/18/1245500718.db2.gz PXTHJSSMKYGOFA-OXQOHEQNSA-N 2 0 341.499 2.435 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244515 1245562883 /nfs/dbraw/zinc/56/28/83/1245562883.db2.gz UKXVYJQSTWNPSK-RMJJICAUSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257822 1245581844 /nfs/dbraw/zinc/58/18/44/1245581844.db2.gz OBCLQGLJOWIBGC-LMMKCTJWSA-N 2 0 339.499 2.413 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038705 1245740540 /nfs/dbraw/zinc/74/05/40/1245740540.db2.gz ANYNMPPONIXXGB-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043776 1245755531 /nfs/dbraw/zinc/75/55/31/1245755531.db2.gz ZGSBOUCCVHXMSD-OALUTQOASA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104161 1245916417 /nfs/dbraw/zinc/91/64/17/1245916417.db2.gz CQGQPWXRABKTNG-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054140060 1247499847 /nfs/dbraw/zinc/49/98/47/1247499847.db2.gz YUNPDYODLJTGAB-IBGZPJMESA-N 2 0 345.512 2.371 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223685 1247765102 /nfs/dbraw/zinc/76/51/02/1247765102.db2.gz ZJTAUUCDTWEVPK-HXUWFJFHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054245530 1247862011 /nfs/dbraw/zinc/86/20/11/1247862011.db2.gz VDWRXNJZNQVTMR-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074769675 1257124528 /nfs/dbraw/zinc/12/45/28/1257124528.db2.gz VBAGKVQNIQTZIM-CWRNSKLLSA-N 2 0 325.884 2.192 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232934 1279312814 /nfs/dbraw/zinc/31/28/14/1279312814.db2.gz YKXPECKTHJRDAP-SJORKVTESA-N 2 0 331.504 2.291 20 30 EEEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424488 1282501763 /nfs/dbraw/zinc/50/17/63/1282501763.db2.gz MPHWHDKCUWGFRV-OALUTQOASA-N 2 0 327.472 2.235 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCCN(Cc2ccccc2C#N)CC1 ZINC001197885993 1284869696 /nfs/dbraw/zinc/86/96/96/1284869696.db2.gz NCZVWGSXMPAVIC-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198967089 1285449540 /nfs/dbraw/zinc/44/95/40/1285449540.db2.gz BQOPGHNTAJMWDH-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1OC ZINC001198985497 1285458698 /nfs/dbraw/zinc/45/86/98/1285458698.db2.gz YETCKPBQCPQOHO-QGZVFWFLSA-N 2 0 331.460 2.114 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001071106847 1286786130 /nfs/dbraw/zinc/78/61/30/1286786130.db2.gz ZNMIPDOQNBKMMG-QYZOEREBSA-N 2 0 349.519 2.033 20 30 EEEDRP C[NH+]1CCN(c2cc(Nc3ncc(C#N)cc3Cl)cc[nH+]2)CC1 ZINC001201651420 1289717687 /nfs/dbraw/zinc/71/76/87/1289717687.db2.gz UENLTHITKSXNON-UHFFFAOYSA-N 2 0 328.807 2.497 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801963 1289759010 /nfs/dbraw/zinc/75/90/10/1289759010.db2.gz WSGDKMJVCROGBV-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000854664431 1292912415 /nfs/dbraw/zinc/91/24/15/1292912415.db2.gz UMGDDLPOTJUMRE-HXUWFJFHSA-N 2 0 341.499 2.012 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095521 1295237035 /nfs/dbraw/zinc/23/70/35/1295237035.db2.gz JRSQQAPSRYWUQH-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215001674 1296686228 /nfs/dbraw/zinc/68/62/28/1296686228.db2.gz NSZKHHKYPHIKGN-IEBWSBKVSA-N 2 0 341.499 2.205 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918632 1297864278 /nfs/dbraw/zinc/86/42/78/1297864278.db2.gz IEHBOPWLCGPQHF-ZWKOTPCHSA-N 2 0 339.524 2.210 20 30 EEEDRP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369263 1298375015 /nfs/dbraw/zinc/37/50/15/1298375015.db2.gz DLVIOWIMYKJITD-SJORKVTESA-N 2 0 341.540 2.096 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372176 1299107857 /nfs/dbraw/zinc/10/78/57/1299107857.db2.gz LEHFNWXZKWAYTD-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001099556391 1299218853 /nfs/dbraw/zinc/21/88/53/1299218853.db2.gz KCNLELXEBXRAML-QAETUUGQSA-N 2 0 339.911 2.248 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@H]21 ZINC001224010570 1300376091 /nfs/dbraw/zinc/37/60/91/1300376091.db2.gz ZVIYEVCITBPDQH-HBFSDRIKSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978749 1300634986 /nfs/dbraw/zinc/63/49/86/1300634986.db2.gz RBWLCSMPIYSZPC-ICSRJNTNSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224796909 1300740879 /nfs/dbraw/zinc/74/08/79/1300740879.db2.gz UYLNZWCACAFEBI-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086462 1302193350 /nfs/dbraw/zinc/19/33/50/1302193350.db2.gz DOMXIXNPVNVREN-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C)CC1 ZINC001103751787 1303296688 /nfs/dbraw/zinc/29/66/88/1303296688.db2.gz RRYWFAYDRROHIX-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230619423 1303328220 /nfs/dbraw/zinc/32/82/20/1303328220.db2.gz YSJBPZAYNWJKFZ-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112197527 1304320106 /nfs/dbraw/zinc/32/01/06/1304320106.db2.gz VVRASLVIEQOHBD-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448661 1309545563 /nfs/dbraw/zinc/54/55/63/1309545563.db2.gz DCAKGLOWBRLXOD-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448723 1309546570 /nfs/dbraw/zinc/54/65/70/1309546570.db2.gz FDCSSAYJHLCZIM-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929462 1314737756 /nfs/dbraw/zinc/73/77/56/1314737756.db2.gz NDXMEAXQVDUVFZ-IRXDYDNUSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149707036 1316020917 /nfs/dbraw/zinc/02/09/17/1316020917.db2.gz BUIQAFPJWROGTJ-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149860764 1316070161 /nfs/dbraw/zinc/07/01/61/1316070161.db2.gz KCONORQMZRNMLT-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001151302929 1316499900 /nfs/dbraw/zinc/49/99/00/1316499900.db2.gz RGZBLGKGFRMLIR-KRWDZBQOSA-N 2 0 339.524 2.280 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255593 1317524233 /nfs/dbraw/zinc/52/42/33/1317524233.db2.gz VILVJOCYVXHEKD-LSDHHAIUSA-N 2 0 348.516 2.288 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471964 1317610225 /nfs/dbraw/zinc/61/02/25/1317610225.db2.gz LFIBXELGMXZCOY-PWRODBHTSA-N 2 0 344.499 2.394 20 30 EEEDRP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252553493 1317635572 /nfs/dbraw/zinc/63/55/72/1317635572.db2.gz YFERKKFCDKKLKV-NJYVYQBISA-N 2 0 348.531 2.384 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131185 1317892214 /nfs/dbraw/zinc/89/22/14/1317892214.db2.gz GWGJWPKGKOWPIV-QGZVFWFLSA-N 2 0 339.524 2.136 20 30 EEEDRP C#CCOCCOCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392124 1318387135 /nfs/dbraw/zinc/38/71/35/1318387135.db2.gz YCJKSTMURMJONJ-FQEVSTJZSA-N 2 0 330.472 2.297 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723512 1319400823 /nfs/dbraw/zinc/40/08/23/1319400823.db2.gz BATBQFMKLWMFJJ-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=C)C)CC1 ZINC001158914336 1319504202 /nfs/dbraw/zinc/50/42/02/1319504202.db2.gz NKUCCTCXGPPGED-LJQANCHMSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869081 1320008736 /nfs/dbraw/zinc/00/87/36/1320008736.db2.gz SFRNNSCRVZPZDE-WMZOPIPTSA-N 2 0 337.508 2.080 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001160267136 1320116375 /nfs/dbraw/zinc/11/63/75/1320116375.db2.gz LSPNZNQYXQWRDG-LJQANCHMSA-N 2 0 345.462 2.148 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)Cc2cnccc2OC)CC1 ZINC001160478869 1320172454 /nfs/dbraw/zinc/17/24/54/1320172454.db2.gz BWVIYLGMYVEJJK-UHFFFAOYSA-N 2 0 329.444 2.347 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787223 1320268552 /nfs/dbraw/zinc/26/85/52/1320268552.db2.gz KMQKWCXIVOJUOR-UHFFFAOYSA-N 2 0 331.504 2.270 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001165254706 1321484349 /nfs/dbraw/zinc/48/43/49/1321484349.db2.gz SYWMESSCZKPMGL-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203360598 1321869372 /nfs/dbraw/zinc/86/93/72/1321869372.db2.gz XVAMMIZTKHDHOZ-MOPGFXCFSA-N 2 0 339.483 2.007 20 30 EEEDRP O=C(Cc1ncc[nH]1)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203539888 1321908069 /nfs/dbraw/zinc/90/80/69/1321908069.db2.gz RMQAQSNYUFXIGL-MSOLQXFVSA-N 2 0 348.450 2.021 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633515 1321928896 /nfs/dbraw/zinc/92/88/96/1321928896.db2.gz YDRLUOUBNMRAOO-GJZGRUSLSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001263103996 1322434149 /nfs/dbraw/zinc/43/41/49/1322434149.db2.gz SQLKNDIDFKHWRF-KRWDZBQOSA-N 2 0 345.491 2.234 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cccc(F)c1 ZINC001205428528 1323128316 /nfs/dbraw/zinc/12/83/16/1323128316.db2.gz DPGCXDFNUGTYOJ-ZWKOTPCHSA-N 2 0 345.462 2.238 20 30 EEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001205666125 1323235584 /nfs/dbraw/zinc/23/55/84/1323235584.db2.gz QFFKBMUEJHSIJK-UHFFFAOYSA-N 2 0 339.443 2.285 20 30 EEEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)cc2)c1 ZINC001205682299 1323243253 /nfs/dbraw/zinc/24/32/53/1323243253.db2.gz RRFOOXKFKCYLMJ-FQEVSTJZSA-N 2 0 336.439 2.296 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001206965451 1323753318 /nfs/dbraw/zinc/75/33/18/1323753318.db2.gz CJLUFTYQEQLOLV-UHFFFAOYSA-N 2 0 331.460 2.196 20 30 EEEDRP C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757430 1324129502 /nfs/dbraw/zinc/12/95/02/1324129502.db2.gz BTLVPSUQELIISR-DGCLKSJQSA-N 2 0 346.313 2.062 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001209403592 1324923609 /nfs/dbraw/zinc/92/36/09/1324923609.db2.gz OJNNAFAGAVDWIQ-RTBURBONSA-N 2 0 335.536 2.482 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210494855 1325309950 /nfs/dbraw/zinc/30/99/50/1325309950.db2.gz YFGQJNSBABSUMF-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001210781692 1325427972 /nfs/dbraw/zinc/42/79/72/1325427972.db2.gz BKZWIVZHADOTHR-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+]1CCN(c2ccc(CC[NH2+]Cc3cccc(C#N)n3)cc2)CC1 ZINC001308989179 1331611371 /nfs/dbraw/zinc/61/13/71/1331611371.db2.gz XIIBBQNVMWIIMI-UHFFFAOYSA-N 2 0 335.455 2.037 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001339880326 1337089734 /nfs/dbraw/zinc/08/97/34/1337089734.db2.gz OFZFIXMLZWZNFX-CVEARBPZSA-N 2 0 346.523 2.192 20 30 EEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001100497262 1338440032 /nfs/dbraw/zinc/44/00/32/1338440032.db2.gz IZLKFMKHZDZPEB-UHFFFAOYSA-N 2 0 339.443 2.332 20 30 EEEDRP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001574614419 1343689179 /nfs/dbraw/zinc/68/91/79/1343689179.db2.gz AZERFUTVOZXTDG-IRXDYDNUSA-N 2 0 344.507 2.037 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401769 1371431593 /nfs/dbraw/zinc/43/15/93/1371431593.db2.gz XHVNYFFPNFIMJZ-YJBOKZPZSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001121233023 1371865325 /nfs/dbraw/zinc/86/53/25/1371865325.db2.gz LSWMQMXWFUKUHM-HNSLBZJHSA-N 2 0 343.515 2.434 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854090 1371929260 /nfs/dbraw/zinc/92/92/60/1371929260.db2.gz LQBZPHFUGKJVFS-UFQJCFOOSA-N 2 0 331.504 2.291 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001367770349 1374257429 /nfs/dbraw/zinc/25/74/29/1374257429.db2.gz DWKYXNBOROTYJH-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccc(C#N)s2)CC1 ZINC001378934208 1380304978 /nfs/dbraw/zinc/30/49/78/1380304978.db2.gz DMTCDSOETALSKA-UHFFFAOYSA-N 2 0 348.516 2.384 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001382129268 1381994636 /nfs/dbraw/zinc/99/46/36/1381994636.db2.gz ABENHMBARWXNDA-CYBMUJFWSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C1CC1)[NH+](C)C ZINC001392804431 1390203070 /nfs/dbraw/zinc/20/30/70/1390203070.db2.gz UTONGKAGKLVGLI-MSOLQXFVSA-N 2 0 346.450 2.022 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001752806283 1406425712 /nfs/dbraw/zinc/42/57/12/1406425712.db2.gz IXKZTTYDAKXLMX-LJQANCHMSA-N 2 0 329.488 2.175 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392028 1390424010 /nfs/dbraw/zinc/42/40/10/1390424010.db2.gz QEJQNSRBUUPSBI-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423958847 1400826764 /nfs/dbraw/zinc/82/67/64/1400826764.db2.gz XDLIQRHXILLGEQ-UONOGXRCSA-N 2 0 346.313 2.063 20 30 EEEDRP C#CCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001574660383 1403524735 /nfs/dbraw/zinc/52/47/35/1403524735.db2.gz OUGHGXRXXIICMU-SJORKVTESA-N 2 0 344.507 2.037 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001731647373 1405891489 /nfs/dbraw/zinc/89/14/89/1405891489.db2.gz VSNJIHZAHCVPNH-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001755658496 1407709642 /nfs/dbraw/zinc/70/96/42/1407709642.db2.gz NEJWEPOHHWBXKH-GOEBONIOSA-N 2 0 325.416 2.036 20 30 EEEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303872604 1409792340 /nfs/dbraw/zinc/79/23/40/1409792340.db2.gz GMAXKSPUBDFMFM-AWEZNQCLSA-N 2 0 332.448 2.306 20 30 EEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001100401495 1410648622 /nfs/dbraw/zinc/64/86/22/1410648622.db2.gz AXJWNKGLCKDMCJ-FAFZWHIHSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762995 782201925 /nfs/dbraw/zinc/20/19/25/782201925.db2.gz XQCWJIURSMFWGR-RBUKOAKNSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)[C@@H]2CC)CC1 ZINC001087840379 782348581 /nfs/dbraw/zinc/34/85/81/782348581.db2.gz VNOYQWDZVCBMMG-RBUKOAKNSA-N 2 0 331.504 2.267 20 30 EEEDRP C=CC[NH2+]CC1(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001167232466 757536189 /nfs/dbraw/zinc/53/61/89/757536189.db2.gz DFLHPTHXRGZWFO-UHFFFAOYSA-N 2 0 329.488 2.466 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232444 757536337 /nfs/dbraw/zinc/53/63/37/757536337.db2.gz CQGPAQBYFZNARG-LJQANCHMSA-N 2 0 337.483 2.098 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104369351 759837562 /nfs/dbraw/zinc/83/75/62/759837562.db2.gz ZTFFHPGSYYBWSY-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112514948 760805513 /nfs/dbraw/zinc/80/55/13/760805513.db2.gz PHDUTFKWGOQCSY-ZJOUEHCJSA-N 2 0 345.531 2.350 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001167655729 760880248 /nfs/dbraw/zinc/88/02/48/760880248.db2.gz ZIIUHWWTRGECCV-UHFFFAOYSA-N 2 0 345.462 2.005 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680083 764719100 /nfs/dbraw/zinc/71/91/00/764719100.db2.gz OZSNHDSUDBHHDA-SQWLQELKSA-N 2 0 327.900 2.155 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001104775415 765266898 /nfs/dbraw/zinc/26/68/98/765266898.db2.gz FOLZKXLYQBFZBA-GZBFAFLISA-N 2 0 338.883 2.415 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487206 769750475 /nfs/dbraw/zinc/75/04/75/769750475.db2.gz JSAQPKFEKXFOMG-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089646266 773682944 /nfs/dbraw/zinc/68/29/44/773682944.db2.gz NBSNHLVFJJNPQN-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980215645 774125521 /nfs/dbraw/zinc/12/55/21/774125521.db2.gz HXXUTPVHKLGLHA-UFYCRDLUSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001031742543 774206063 /nfs/dbraw/zinc/20/60/63/774206063.db2.gz JVWMBMXBBRBINZ-XLIONFOSSA-N 2 0 339.483 2.202 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723194 775931556 /nfs/dbraw/zinc/93/15/56/775931556.db2.gz SLUMLWOEVJUQTR-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997613289 790446949 /nfs/dbraw/zinc/44/69/49/790446949.db2.gz IAXUICKIJVUGID-QFBILLFUSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181499991 776848776 /nfs/dbraw/zinc/84/87/76/776848776.db2.gz JIZMYGTVIMBKJU-IAGOWNOFSA-N 2 0 330.476 2.266 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001089833499 777339732 /nfs/dbraw/zinc/33/97/32/777339732.db2.gz LATZXSJAPIJLPN-LEAZDLGRSA-N 2 0 348.450 2.140 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526976 777587943 /nfs/dbraw/zinc/58/79/43/777587943.db2.gz BZNSKQNKNJNQSI-ZIAGYGMSSA-N 2 0 344.297 2.008 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000981526798 777588050 /nfs/dbraw/zinc/58/80/50/777588050.db2.gz AFIPWALVTVGXRA-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000981527867 777591231 /nfs/dbraw/zinc/59/12/31/777591231.db2.gz METSMRDVQJSUKN-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767125 778164701 /nfs/dbraw/zinc/16/47/01/778164701.db2.gz JDSGBKNJLWGUBK-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000981861474 778409441 /nfs/dbraw/zinc/40/94/41/778409441.db2.gz SWBPQNLMKUTAIB-UHFFFAOYSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](C(C)C)CC1 ZINC000261680559 780017469 /nfs/dbraw/zinc/01/74/69/780017469.db2.gz QNPDSNOWVSJRBL-RCCFBDPRSA-N 2 0 348.535 2.372 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001105395784 781889075 /nfs/dbraw/zinc/88/90/75/781889075.db2.gz FLEWRYBKRRVYKR-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396033 781909347 /nfs/dbraw/zinc/90/93/47/781909347.db2.gz HGJOXQOHFLTTHV-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471201 783825362 /nfs/dbraw/zinc/82/53/62/783825362.db2.gz INTCYBYTIXULGL-DLBZAZTESA-N 2 0 329.488 2.301 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035196102 784026917 /nfs/dbraw/zinc/02/69/17/784026917.db2.gz SPGRQVOOMCHCMQ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199852 784038868 /nfs/dbraw/zinc/03/88/68/784038868.db2.gz ROLGZCJFXOKISA-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035189661 784071618 /nfs/dbraw/zinc/07/16/18/784071618.db2.gz KDBBTDLAWFQILD-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742970 784350711 /nfs/dbraw/zinc/35/07/11/784350711.db2.gz BNQPCWZAKDSMHI-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086786119 784480410 /nfs/dbraw/zinc/48/04/10/784480410.db2.gz KHBJMJWHBPIOFZ-YHUYYLMFSA-N 2 0 327.900 2.344 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977317 784927248 /nfs/dbraw/zinc/92/72/48/784927248.db2.gz SBDQVQVHTCLHOO-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579319 787734655 /nfs/dbraw/zinc/73/46/55/787734655.db2.gz COXPNBRFBKRACL-WSTZPKSXSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171069686 788322719 /nfs/dbraw/zinc/32/27/19/788322719.db2.gz RWSDUSDCSHCTCV-IAGOWNOFSA-N 2 0 345.503 2.134 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000997236533 789484974 /nfs/dbraw/zinc/48/49/74/789484974.db2.gz BGGGGWBWBYOODL-QGZVFWFLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941974 789561639 /nfs/dbraw/zinc/56/16/39/789561639.db2.gz PEEHEGKWVNAWBC-HKUYNNGSSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904562 789622066 /nfs/dbraw/zinc/62/20/66/789622066.db2.gz JPSPZCRKXATHMT-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089910078 789919133 /nfs/dbraw/zinc/91/91/33/789919133.db2.gz YZBFMESIPIYBRC-HZMVEIRTSA-N 2 0 337.895 2.004 20 30 EEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001171220786 790125319 /nfs/dbraw/zinc/12/53/19/790125319.db2.gz BYHRUZUWYABDCH-SFHVURJKSA-N 2 0 326.488 2.203 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001147826437 791984266 /nfs/dbraw/zinc/98/42/66/791984266.db2.gz VQUNVPTYGSGKRD-NVXWUHKLSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086855145 792869815 /nfs/dbraw/zinc/86/98/15/792869815.db2.gz JEVCFZRXAFRLOK-UONOGXRCSA-N 2 0 336.867 2.388 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086886824 792927029 /nfs/dbraw/zinc/92/70/29/792927029.db2.gz YCHYCEJAPZOOFU-JKSUJKDBSA-N 2 0 331.460 2.243 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925249 792998367 /nfs/dbraw/zinc/99/83/67/792998367.db2.gz QDICVXVKLUEYAF-CEXWTWQISA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942304 793034131 /nfs/dbraw/zinc/03/41/31/793034131.db2.gz NQROPLVGUHRJOG-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@@H]12 ZINC000992353160 793777167 /nfs/dbraw/zinc/77/71/67/793777167.db2.gz RHHDJNFWBIDGHN-UYAOXDASSA-N 2 0 349.438 2.017 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999405810 794420119 /nfs/dbraw/zinc/42/01/19/794420119.db2.gz JLSXFFXVNFVVKV-MNNVXMFVSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907568 794426973 /nfs/dbraw/zinc/42/69/73/794426973.db2.gz PGNPOZHKTZOYJL-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079206138 794455925 /nfs/dbraw/zinc/45/59/25/794455925.db2.gz YIOXUGGBDZWKRC-ZYSHUDEJSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N(CC(=C)Cl)CC3)CC1 ZINC000992515735 794472187 /nfs/dbraw/zinc/47/21/87/794472187.db2.gz ZSRWNNBPGIZDTI-HKUYNNGSSA-N 2 0 349.906 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360943 795087326 /nfs/dbraw/zinc/08/73/26/795087326.db2.gz GOGSGMIPSOMIPI-MOPGFXCFSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373915 795107270 /nfs/dbraw/zinc/10/72/70/795107270.db2.gz UWPNXRCZZCHLST-MSOLQXFVSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093382653 795123746 /nfs/dbraw/zinc/12/37/46/795123746.db2.gz CMBULRBYJSRXAV-RBUKOAKNSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384366 795128787 /nfs/dbraw/zinc/12/87/87/795128787.db2.gz XSNVDKDNMSZGQI-FQEVSTJZSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992587 795244586 /nfs/dbraw/zinc/24/45/86/795244586.db2.gz ADPVOFXHBRDYGI-AEFFLSMTSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106779921 796527731 /nfs/dbraw/zinc/52/77/31/796527731.db2.gz XUEOBRSOOACENN-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603682 798302627 /nfs/dbraw/zinc/30/26/27/798302627.db2.gz FQZYBAFPZOXTTQ-MISYRCLQSA-N 2 0 343.515 2.340 20 30 EEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112164 798354165 /nfs/dbraw/zinc/35/41/65/798354165.db2.gz NRHKWFFUUDGJHE-QGZVFWFLSA-N 2 0 333.520 2.396 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578864 806675493 /nfs/dbraw/zinc/67/54/93/806675493.db2.gz KNLOYSIVFYFEJX-RDJZCZTQSA-N 2 0 325.884 2.053 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176844592 798617647 /nfs/dbraw/zinc/61/76/47/798617647.db2.gz LNLBEEYIVRKREV-IYBDPMFKSA-N 2 0 328.460 2.027 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)s1 ZINC001176930383 798634078 /nfs/dbraw/zinc/63/40/78/798634078.db2.gz ISUYAKXBGMVXQN-UHFFFAOYSA-N 2 0 334.489 2.092 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049740 798638191 /nfs/dbraw/zinc/63/81/91/798638191.db2.gz VRHHRPMJDJAJGM-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@@H](F)CC)[C@H]3C2)CC1 ZINC001085100414 798674239 /nfs/dbraw/zinc/67/42/39/798674239.db2.gz AAVLMGVDIQBTNO-NEWSRXKRSA-N 2 0 349.494 2.003 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331129 798867826 /nfs/dbraw/zinc/86/78/26/798867826.db2.gz HKZYMYHNDQDLMN-UHFFFAOYSA-N 2 0 346.313 2.257 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345180 798879978 /nfs/dbraw/zinc/87/99/78/798879978.db2.gz SIFBHVUOEIZXKP-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180157083 800298823 /nfs/dbraw/zinc/29/88/23/800298823.db2.gz VCIHXJYNJYDUFV-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001180226729 800316890 /nfs/dbraw/zinc/31/68/90/800316890.db2.gz JDWSPXYKQICAOI-KSSFIOAISA-N 2 0 346.450 2.117 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001180259386 800336640 /nfs/dbraw/zinc/33/66/40/800336640.db2.gz FCWKNCGZHJMOTG-HNNXBMFYSA-N 2 0 348.516 2.338 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004475567 802174902 /nfs/dbraw/zinc/17/49/02/802174902.db2.gz UTRXUOVBTWVYLQ-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498101 802229915 /nfs/dbraw/zinc/22/99/15/802229915.db2.gz MJYIRMWSISMGMT-VQTJNVASSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623739 802290864 /nfs/dbraw/zinc/29/08/64/802290864.db2.gz PBRLWVYXLZDYQM-HSALFYBXSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185060159 802307593 /nfs/dbraw/zinc/30/75/93/802307593.db2.gz FDFGUYNDVLNVKM-XJKSGUPXSA-N 2 0 327.900 2.155 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185060158 802307835 /nfs/dbraw/zinc/30/78/35/802307835.db2.gz FDFGUYNDVLNVKM-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001185167139 802370188 /nfs/dbraw/zinc/37/01/88/802370188.db2.gz CELVZUDCADPODB-XLIONFOSSA-N 2 0 341.499 2.112 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nccn3C)CC[C@@H]2C1 ZINC000946694097 802838369 /nfs/dbraw/zinc/83/83/69/802838369.db2.gz LSSJWYQWAXSCJL-CALCHBBNSA-N 2 0 330.476 2.099 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082503 802954963 /nfs/dbraw/zinc/95/49/63/802954963.db2.gz COMJAPMCJMVINJ-ZWKOTPCHSA-N 2 0 339.524 2.016 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398094 803436570 /nfs/dbraw/zinc/43/65/70/803436570.db2.gz AHEMCJJMNQRKKD-LJQANCHMSA-N 2 0 339.524 2.260 20 30 EEEDRP CC(=O)N1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527610 803825938 /nfs/dbraw/zinc/82/59/38/803825938.db2.gz XZVMRBJWGGRSEA-UFYCRDLUSA-N 2 0 340.471 2.251 20 30 EEEDRP C/C(NC1CCC(S(C)(=O)=O)CC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001169870903 804170217 /nfs/dbraw/zinc/17/02/17/804170217.db2.gz NZNNZRVSUOBHHP-UHFFFAOYSA-N 2 0 337.489 2.009 20 30 EEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001108716007 804385045 /nfs/dbraw/zinc/38/50/45/804385045.db2.gz DRLRNYNAECQXAD-LNLFQRSKSA-N 2 0 342.487 2.453 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733850 804419973 /nfs/dbraw/zinc/41/99/73/804419973.db2.gz ITXDZVYXCKXRIE-BZSNNMDCSA-N 2 0 331.504 2.243 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129418592 810832907 /nfs/dbraw/zinc/83/29/07/810832907.db2.gz VHXLRRYSYNPVQY-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)CCC)C1 ZINC001130446287 811651709 /nfs/dbraw/zinc/65/17/09/811651709.db2.gz JZPRRIFWXBDWFU-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP Cc1c(C(=O)NCC[NH2+]Cc2ccc(C#N)s2)ccc2c[nH+]cn21 ZINC001130656003 811905743 /nfs/dbraw/zinc/90/57/43/811905743.db2.gz DVSZWCLMWYQMNW-UHFFFAOYSA-N 2 0 339.424 2.096 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001437261053 1089402754 /nfs/dbraw/zinc/40/27/54/1089402754.db2.gz JVRBKYZEPCKOAK-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438497475 1090994422 /nfs/dbraw/zinc/99/44/22/1090994422.db2.gz KIIJVCPFZUCOOP-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001448756073 1093827486 /nfs/dbraw/zinc/82/74/86/1093827486.db2.gz ZVRUCUOCKKLUMK-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001444128298 1098663894 /nfs/dbraw/zinc/66/38/94/1098663894.db2.gz HDTSMMMCHHWDND-AZUAARDMSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444636732 1099464362 /nfs/dbraw/zinc/46/43/62/1099464362.db2.gz SSUKWBZMHMWBQG-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](CC)CC ZINC001480158037 1099730623 /nfs/dbraw/zinc/73/06/23/1099730623.db2.gz UBEONVHHYXMYFU-FHWLQOOXSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001501077920 1113190701 /nfs/dbraw/zinc/19/07/01/1113190701.db2.gz ZUXRPEHIJAMIDW-GOEBONIOSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001568150092 1124326795 /nfs/dbraw/zinc/32/67/95/1124326795.db2.gz QVWYPEHVEYDYKK-RTBURBONSA-N 2 0 345.462 2.098 20 30 EEEDRP COCC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181488144 234202599 /nfs/dbraw/zinc/20/25/99/234202599.db2.gz RVROLQPNDKVJTG-UHFFFAOYSA-N 2 0 344.503 2.081 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396751 781941611 /nfs/dbraw/zinc/94/16/11/781941611.db2.gz UWTVTDHJJWFIAO-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1C ZINC000338121109 279302953 /nfs/dbraw/zinc/30/29/53/279302953.db2.gz PLGIMDFNIGHDMG-GOSISDBHSA-N 2 0 342.487 2.355 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000424151828 303151585 /nfs/dbraw/zinc/15/15/85/303151585.db2.gz GGGAKXONHBBWTQ-CVEARBPZSA-N 2 0 346.500 2.240 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C#N ZINC000578977144 323748462 /nfs/dbraw/zinc/74/84/62/323748462.db2.gz TWADGFWMGPKQRN-MJGOQNOKSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000296699386 465230288 /nfs/dbraw/zinc/23/02/88/465230288.db2.gz YYOWFHXYKCTSIJ-IBGZPJMESA-N 2 0 342.487 2.078 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000329154547 465250548 /nfs/dbraw/zinc/25/05/48/465250548.db2.gz UTNJNIHSPDETJI-NVXWUHKLSA-N 2 0 345.491 2.284 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C#N ZINC000578977145 468289139 /nfs/dbraw/zinc/28/91/39/468289139.db2.gz TWADGFWMGPKQRN-PKOBYXMFSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000491202836 468320882 /nfs/dbraw/zinc/32/08/82/468320882.db2.gz QGRKAFHQEZXXPW-OAQYLSRUSA-N 2 0 339.483 2.114 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000491202835 468321236 /nfs/dbraw/zinc/32/12/36/468321236.db2.gz QGRKAFHQEZXXPW-NRFANRHFSA-N 2 0 339.483 2.114 20 30 EEEDRP Cn1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000276958508 463820873 /nfs/dbraw/zinc/82/08/73/463820873.db2.gz LQBYXYOWRVEMPJ-UHFFFAOYSA-N 2 0 326.444 2.169 20 30 EEEDRP N#Cc1ncn(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000287281952 463856795 /nfs/dbraw/zinc/85/67/95/463856795.db2.gz CWSILPNBIPZWGA-UHFFFAOYSA-N 2 0 344.850 2.057 20 30 EEEDRP C=CCN1CC[C@@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000281927942 464637363 /nfs/dbraw/zinc/63/73/63/464637363.db2.gz HVAQEKCFQPQHQC-LJQANCHMSA-N 2 0 342.487 2.407 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000274876699 464757843 /nfs/dbraw/zinc/75/78/43/464757843.db2.gz YQRSTVHDNKPLFO-IEBWSBKVSA-N 2 0 342.487 2.249 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000424159029 466993031 /nfs/dbraw/zinc/99/30/31/466993031.db2.gz SCDSEACNONUARU-INIZCTEOSA-N 2 0 332.473 2.195 20 30 EEEDRP C=CCN1CC[C@@H](N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302843 467345002 /nfs/dbraw/zinc/34/50/02/467345002.db2.gz CDAIUDSASLVMTQ-IAGOWNOFSA-N 2 0 345.512 2.479 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567895487 468232944 /nfs/dbraw/zinc/23/29/44/468232944.db2.gz KXBNUGHXWSHJDC-UHFFFAOYSA-N 2 0 326.448 2.155 20 30 EEEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583508552 468708236 /nfs/dbraw/zinc/70/82/36/468708236.db2.gz NNCPJFVJQUSLAP-LJQANCHMSA-N 2 0 342.487 2.202 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000740737450 578106458 /nfs/dbraw/zinc/10/64/58/578106458.db2.gz NOHCMJNFVPDDQH-IBGZPJMESA-N 2 0 327.472 2.283 20 30 EEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461206 675911012 /nfs/dbraw/zinc/91/10/12/675911012.db2.gz ZIBWWSJTVHBSAL-DBVUQKKJSA-N 2 0 341.499 2.344 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021091452 675716911 /nfs/dbraw/zinc/71/69/11/675716911.db2.gz VYXRDONZPWBCJG-ZNZJMJLKSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC=C)CC[C@H]32)CC1 ZINC001021738669 676396655 /nfs/dbraw/zinc/39/66/55/676396655.db2.gz CNTWMWNLNNDCCI-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)CCC1 ZINC000971675901 676733128 /nfs/dbraw/zinc/73/31/28/676733128.db2.gz BZUCVHPIVXJQHC-SFHVURJKSA-N 2 0 340.471 2.075 20 30 EEEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262281923 679108166 /nfs/dbraw/zinc/10/81/66/679108166.db2.gz LFXIPADUUJPPFU-ZDUSSCGKSA-N 2 0 326.391 2.048 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371450 679277531 /nfs/dbraw/zinc/27/75/31/679277531.db2.gz ZZHBKFYCXLGAKZ-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972583495 679353001 /nfs/dbraw/zinc/35/30/01/679353001.db2.gz WBTGQQHYEHGAAJ-ICSRJNTNSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696401 679486890 /nfs/dbraw/zinc/48/68/90/679486890.db2.gz MFUQEFKOWFGRAN-RBUKOAKNSA-N 2 0 333.520 2.493 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001026902065 685273996 /nfs/dbraw/zinc/27/39/96/685273996.db2.gz ZKVSXDXHHYCCFY-LPHOPBHVSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](c3ccccc3)N(C)C)C[C@@]2(C)C1 ZINC000982834350 681357032 /nfs/dbraw/zinc/35/70/32/681357032.db2.gz XJBDYIWLRLLEDP-SESVDKBCSA-N 2 0 339.483 2.093 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834339 681357318 /nfs/dbraw/zinc/35/73/18/681357318.db2.gz WYIZLUWXMMHAQC-NRSPTQNISA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245058 682323956 /nfs/dbraw/zinc/32/39/56/682323956.db2.gz ZJIGHCILSVGNON-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258048 682336252 /nfs/dbraw/zinc/33/62/52/682336252.db2.gz CHBYXQGETCWWDY-ROUUACIJSA-N 2 0 343.471 2.434 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]12 ZINC001026399301 684566964 /nfs/dbraw/zinc/56/69/64/684566964.db2.gz SOWSCGSYVDRNCW-GUDVDZBRSA-N 2 0 331.504 2.121 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001026464492 684677788 /nfs/dbraw/zinc/67/77/88/684677788.db2.gz JCWJHRXCNWXKKE-ACBHZAAOSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000974683009 685230565 /nfs/dbraw/zinc/23/05/65/685230565.db2.gz AOFCINXBCHMMEJ-IRXDYDNUSA-N 2 0 333.520 2.347 20 30 EEEDRP CN(Cc1ccccc1C#N)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681616 693962004 /nfs/dbraw/zinc/96/20/04/693962004.db2.gz ZHRZWEGYMYVTMU-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@@H]2C)CC1 ZINC000987566938 689842860 /nfs/dbraw/zinc/84/28/60/689842860.db2.gz CPOKVSAZSOKTCI-YJBOKZPZSA-N 2 0 345.512 2.172 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC000987569930 689846000 /nfs/dbraw/zinc/84/60/00/689846000.db2.gz JFNKJJXLOJOCQR-LPHOPBHVSA-N 2 0 345.531 2.347 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988957001 691324049 /nfs/dbraw/zinc/32/40/49/691324049.db2.gz CUJCRKBMHPDQIE-QAPCUYQASA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646220 692875971 /nfs/dbraw/zinc/87/59/71/692875971.db2.gz WBZDIYDQHUOUNC-SFHVURJKSA-N 2 0 327.472 2.212 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1cccc(C#N)c1 ZINC001480979245 1179415752 /nfs/dbraw/zinc/41/57/52/1179415752.db2.gz BLCBJQQGMNDQOO-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482058978 1183266715 /nfs/dbraw/zinc/26/67/15/1183266715.db2.gz UUAYEWLNCPNFKA-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001105480582 1188095377 /nfs/dbraw/zinc/09/53/77/1188095377.db2.gz FFOSJWPKBVECCB-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001168294744 1188254711 /nfs/dbraw/zinc/25/47/11/1188254711.db2.gz FRPDFLLAXAOFEQ-ADKAHSJRSA-N 2 0 329.488 2.354 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168326703 1188295410 /nfs/dbraw/zinc/29/54/10/1188295410.db2.gz DORWGXQJXCTAMJ-UHFFFAOYSA-N 2 0 327.472 2.261 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001483916157 1191115581 /nfs/dbraw/zinc/11/55/81/1191115581.db2.gz MCIBQPHQGQXJPP-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417282 1194538990 /nfs/dbraw/zinc/53/89/90/1194538990.db2.gz VVAUXJCSRFGKHU-QAPCUYQASA-N 2 0 325.472 2.308 20 30 EEEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005179919 1194668475 /nfs/dbraw/zinc/66/84/75/1194668475.db2.gz OZQZIZPPKVCUHW-QGZVFWFLSA-N 2 0 346.500 2.137 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115362 1195758077 /nfs/dbraw/zinc/75/80/77/1195758077.db2.gz OMQJUZDOYFTPOI-IBGZPJMESA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001034736606 1196638205 /nfs/dbraw/zinc/63/82/05/1196638205.db2.gz YCZPYAAVLQUSAQ-WGSAOQKQSA-N 2 0 327.472 2.055 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001410939050 1198609922 /nfs/dbraw/zinc/60/99/22/1198609922.db2.gz IOXAYGFZTQPQMZ-HUUCEWRRSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140548 1199349757 /nfs/dbraw/zinc/34/97/57/1199349757.db2.gz IWRBZYLAMPCUCL-DLBZAZTESA-N 2 0 330.476 2.453 20 30 EEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406512 1199665146 /nfs/dbraw/zinc/66/51/46/1199665146.db2.gz KIRAZUWGPMIKMO-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613936 1199690599 /nfs/dbraw/zinc/69/05/99/1199690599.db2.gz YYGYXYQCQFHXHS-HZPDHXFCSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132884559 1200149122 /nfs/dbraw/zinc/14/91/22/1200149122.db2.gz RTCRMGLRCONLKW-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937617 1200212128 /nfs/dbraw/zinc/21/21/28/1200212128.db2.gz MFCMABSPOJRIIJ-DOTOQJQBSA-N 2 0 338.455 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCC(C)C)C2)CC1 ZINC001133336787 1200759664 /nfs/dbraw/zinc/75/96/64/1200759664.db2.gz FOEWVORVALHNHO-UYAOXDASSA-N 2 0 347.547 2.452 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001202758147 1204295351 /nfs/dbraw/zinc/29/53/51/1204295351.db2.gz WJUKJBCYCYQYGN-UHFFFAOYSA-N 2 0 348.491 2.180 20 30 EEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925644731 1206139090 /nfs/dbraw/zinc/13/90/90/1206139090.db2.gz LGXBFBHISJTETQ-JASLQONBSA-N 2 0 338.455 2.229 20 30 EEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893036 1206164700 /nfs/dbraw/zinc/16/47/00/1206164700.db2.gz JVVLXSGFHARTHH-YLJYHZDGSA-N 2 0 349.438 2.211 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362848 1208546711 /nfs/dbraw/zinc/54/67/11/1208546711.db2.gz ZMLYZEUWQIXOFM-GOEBONIOSA-N 2 0 333.501 2.416 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000948039479 1208834197 /nfs/dbraw/zinc/83/41/97/1208834197.db2.gz HMPXZDDDNBDQHK-UYAOXDASSA-N 2 0 339.483 2.103 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385009 1209105131 /nfs/dbraw/zinc/10/51/31/1209105131.db2.gz HCVYTLJMRBOXJR-BZUAXINKSA-N 2 0 327.900 2.392 20 30 EEEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000304816751 1216108084 /nfs/dbraw/zinc/10/80/84/1216108084.db2.gz XRXYUCMKIBMQNH-QGZVFWFLSA-N 2 0 336.524 2.316 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233208 1217100670 /nfs/dbraw/zinc/10/06/70/1217100670.db2.gz UTVSOAVFBLSZDU-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370819 1217161846 /nfs/dbraw/zinc/16/18/46/1217161846.db2.gz DLDXIPSXMGFZAY-MISYRCLQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961431865 1217187790 /nfs/dbraw/zinc/18/77/90/1217187790.db2.gz OINHWEBARDZJIT-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961434858 1217188936 /nfs/dbraw/zinc/18/89/36/1217188936.db2.gz IVKCWZHPROJDEX-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368402 1217565546 /nfs/dbraw/zinc/56/55/46/1217565546.db2.gz WFWOVJDAPGKKNN-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860978 1226928574 /nfs/dbraw/zinc/92/85/74/1226928574.db2.gz MADZMCMPIAKBDA-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133392 1230344403 /nfs/dbraw/zinc/34/44/03/1230344403.db2.gz GVFIXZHPFVIHQC-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC[C@H](C)F)CC1 ZINC001040014158 1230964082 /nfs/dbraw/zinc/96/40/82/1230964082.db2.gz FJGZYTFWBXSRNP-YTQUADARSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545596 1231286338 /nfs/dbraw/zinc/28/63/38/1231286338.db2.gz RQAJFGQQKCSJEE-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040722656 1231348610 /nfs/dbraw/zinc/34/86/10/1231348610.db2.gz CARAJHMCBGSVDX-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040948344 1231408244 /nfs/dbraw/zinc/40/82/44/1231408244.db2.gz PBJPSUUDQGUVPU-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356827 1231518057 /nfs/dbraw/zinc/51/80/57/1231518057.db2.gz BMCXJQMKXFSKRU-DOTOQJQBSA-N 2 0 325.884 2.004 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505771 1231571675 /nfs/dbraw/zinc/57/16/75/1231571675.db2.gz MUJQBVKEYONLSC-AZUAARDMSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586073 1231609906 /nfs/dbraw/zinc/60/99/06/1231609906.db2.gz HVXYJRQDEPNMLT-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042112466 1231897476 /nfs/dbraw/zinc/89/74/76/1231897476.db2.gz RJSCJKADZFXVKP-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369660 1232050854 /nfs/dbraw/zinc/05/08/54/1232050854.db2.gz ZSBQUERLZZMATF-FXAWDEMLSA-N 2 0 339.483 2.308 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857387 1233320219 /nfs/dbraw/zinc/32/02/19/1233320219.db2.gz IXDIOHBLBGUQDL-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045092660 1233497570 /nfs/dbraw/zinc/49/75/70/1233497570.db2.gz COWBWNLYPJQGQG-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044574 1233965060 /nfs/dbraw/zinc/96/50/60/1233965060.db2.gz UAVCTLQITMITIG-SLHNCBLASA-N 2 0 339.483 2.239 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986074 1234281915 /nfs/dbraw/zinc/28/19/15/1234281915.db2.gz GRHNTRXORILWDG-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC)C3)CC1 ZINC001047209190 1235672593 /nfs/dbraw/zinc/67/25/93/1235672593.db2.gz QYOWNJYKHGFRNX-UHOSZYNNSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047258110 1235763788 /nfs/dbraw/zinc/76/37/88/1235763788.db2.gz XHZNAGSXXQWOCY-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582896 1238022281 /nfs/dbraw/zinc/02/22/81/1238022281.db2.gz XVTUCTUZSZGOED-MUJYYYPQSA-N 2 0 337.895 2.194 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819533 1238735975 /nfs/dbraw/zinc/73/59/75/1238735975.db2.gz UUKIFVOXUUOMFI-NCOADZHNSA-N 2 0 337.895 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000315735 1240162303 /nfs/dbraw/zinc/16/23/03/1240162303.db2.gz CASPLGLXXBRQBM-AEFFLSMTSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172235 1240177542 /nfs/dbraw/zinc/17/75/42/1240177542.db2.gz VKDHABNYJIRKBN-YRXWBPOGSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049717001 1241978299 /nfs/dbraw/zinc/97/82/99/1241978299.db2.gz BYUGJPWXVXNHHN-QKLQHJQFSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@@H](C)CC)CC1 ZINC001049922249 1242719469 /nfs/dbraw/zinc/71/94/69/1242719469.db2.gz YMWCIOKNXFNDKW-DFQSSKMNSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)CC1 ZINC001096605251 1242779361 /nfs/dbraw/zinc/77/93/61/1242779361.db2.gz GNGVCXOVKCGFSI-AABGKKOBSA-N 2 0 343.515 2.243 20 30 EEEDRP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643754 1243034846 /nfs/dbraw/zinc/03/48/46/1243034846.db2.gz QRAZVTMMJGYKMC-NJAFHUGGSA-N 2 0 343.471 2.480 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517876 1243770242 /nfs/dbraw/zinc/77/02/42/1243770242.db2.gz IXFWTAWDGWYJAQ-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663419 1244075263 /nfs/dbraw/zinc/07/52/63/1244075263.db2.gz UHNNMJMBCXVZLO-LJQANCHMSA-N 2 0 337.483 2.309 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052244 1245777551 /nfs/dbraw/zinc/77/75/51/1245777551.db2.gz STEBUPATQVTGBL-RBUKOAKNSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105204 1245920104 /nfs/dbraw/zinc/92/01/04/1245920104.db2.gz MSHVPPAJTYHDJG-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448420 1247311969 /nfs/dbraw/zinc/31/19/69/1247311969.db2.gz ZEHUOAHOTIZCCR-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527256 1247489318 /nfs/dbraw/zinc/48/93/18/1247489318.db2.gz VFBPGLRGGVKWFZ-HNNXBMFYSA-N 2 0 325.884 2.338 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054146781 1247523742 /nfs/dbraw/zinc/52/37/42/1247523742.db2.gz IPBFVYXEUUWVSB-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222880 1247762407 /nfs/dbraw/zinc/76/24/07/1247762407.db2.gz KUZHJDMRNFSNQP-NRFANRHFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676555 1254495776 /nfs/dbraw/zinc/49/57/76/1254495776.db2.gz MVACXSUICREYSK-HUUCEWRRSA-N 2 0 325.416 2.036 20 30 EEEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099527947 1258192112 /nfs/dbraw/zinc/19/21/12/1258192112.db2.gz FGOYMNISOGMPSA-MLHJIOFPSA-N 2 0 333.520 2.319 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633517 1278989455 /nfs/dbraw/zinc/98/94/55/1278989455.db2.gz YDRLUOUBNMRAOO-LSDHHAIUSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200886894 1287217066 /nfs/dbraw/zinc/21/70/66/1287217066.db2.gz FMBWACOOISGDBX-ROUUACIJSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107264 1279766362 /nfs/dbraw/zinc/76/63/62/1279766362.db2.gz MLTDTYHVFTZCNO-YESZJQIVSA-N 2 0 325.472 2.165 20 30 EEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001192407198 1281976801 /nfs/dbraw/zinc/97/68/01/1281976801.db2.gz SFJRIMZGGBJMAZ-LJQANCHMSA-N 2 0 329.488 2.270 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400618 1282484524 /nfs/dbraw/zinc/48/45/24/1282484524.db2.gz ZQOYLFTYQBYZNQ-AZUAARDMSA-N 2 0 327.472 2.019 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)CCC=C)C2)CC1 ZINC001194245550 1282955923 /nfs/dbraw/zinc/95/59/23/1282955923.db2.gz CBJVBBCJNXLMRN-IEBWSBKVSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)CC1 ZINC001194246705 1282955947 /nfs/dbraw/zinc/95/59/47/1282955947.db2.gz QIWNXLQGEKAJIA-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC001202150221 1289920747 /nfs/dbraw/zinc/92/07/47/1289920747.db2.gz YFFLIXAUUGVDOH-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[NH+](CC)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000852858883 1292218102 /nfs/dbraw/zinc/21/81/02/1292218102.db2.gz KAHODVSGGFJJTF-FQEVSTJZSA-N 2 0 341.499 2.059 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599702 1297293883 /nfs/dbraw/zinc/29/38/83/1297293883.db2.gz LHTPOVCFKLBTFQ-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2C[NH2+]C[C@H]2C#N)O1 ZINC001217831040 1297518927 /nfs/dbraw/zinc/51/89/27/1297518927.db2.gz IRBXIEDEEHUZDF-QWFCFKBJSA-N 2 0 343.471 2.184 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039546 1299960807 /nfs/dbraw/zinc/96/08/07/1299960807.db2.gz KHUJJXNZCPQCNR-MJGOQNOKSA-N 2 0 342.487 2.407 20 30 EEEDRP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H](C)C1 ZINC001102508959 1301163049 /nfs/dbraw/zinc/16/30/49/1301163049.db2.gz NGEFNNAMWJMMHE-RLLQIKCJSA-N 2 0 341.499 2.387 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001228254768 1302176998 /nfs/dbraw/zinc/17/69/98/1302176998.db2.gz HVROCKGMQFKMCM-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230016523 1303020012 /nfs/dbraw/zinc/02/00/12/1303020012.db2.gz PMIHAVFPLCBCKW-IBGZPJMESA-N 2 0 327.472 2.283 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591671 1303299031 /nfs/dbraw/zinc/29/90/31/1303299031.db2.gz GHYDUPZXPCWVNQ-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001111554445 1303684041 /nfs/dbraw/zinc/68/40/41/1303684041.db2.gz SOXBXRFBQYRIPY-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194991 1304317947 /nfs/dbraw/zinc/31/79/47/1304317947.db2.gz BSQXKSDIEVYHPL-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213127 1304339848 /nfs/dbraw/zinc/33/98/48/1304339848.db2.gz GAOYZWAMIVLNBR-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)CCN3)CC1 ZINC001236432639 1305578407 /nfs/dbraw/zinc/57/84/07/1305578407.db2.gz BZPTYLFLCQOYNB-UHFFFAOYSA-N 2 0 340.515 2.446 20 30 EEEDRP N#Cc1c2c(cnc1-c1cccc(CN3CC[NH2+]CC3)c1)C[NH2+]CCC2 ZINC001240226163 1309279301 /nfs/dbraw/zinc/27/93/01/1309279301.db2.gz MHEDMGAESHZMOC-UHFFFAOYSA-N 2 0 347.466 2.061 20 30 EEEDRP N#Cc1cc(-c2ccc(CN3CC[C@H]([NH3+])C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240361314 1309313040 /nfs/dbraw/zinc/31/30/40/1309313040.db2.gz WDAHPWVAUUELRU-NRFANRHFSA-N 2 0 332.451 2.445 20 30 EEEDRP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001121595626 1310063703 /nfs/dbraw/zinc/06/37/03/1310063703.db2.gz UIUXWIWHSSVQFF-ZACQAIPSSA-N 2 0 346.523 2.192 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150395675 1316256922 /nfs/dbraw/zinc/25/69/22/1316256922.db2.gz WELAPBKLFQPBAB-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001151412416 1316526751 /nfs/dbraw/zinc/52/67/51/1316526751.db2.gz CNXCUPFGCKFVFC-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386411 1316664517 /nfs/dbraw/zinc/66/45/17/1316664517.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1Cl)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999844 1317414984 /nfs/dbraw/zinc/41/49/84/1317414984.db2.gz PPSUVXHBTCSIGS-MRXNPFEDSA-N 2 0 349.906 2.470 20 30 EEEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552643 1317634567 /nfs/dbraw/zinc/63/45/67/1317634567.db2.gz LDQACJASHKHNMY-AEFFLSMTSA-N 2 0 334.460 2.272 20 30 EEEDRP CC[NH+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199606 1317916565 /nfs/dbraw/zinc/91/65/65/1317916565.db2.gz CEEKNKMFDFYNTR-QGZVFWFLSA-N 2 0 347.478 2.346 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342284 1317971480 /nfs/dbraw/zinc/97/14/80/1317971480.db2.gz YAVOCZDQKGWUKP-XLIONFOSSA-N 2 0 329.488 2.313 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001157887404 1318918039 /nfs/dbraw/zinc/91/80/39/1318918039.db2.gz VAILRDGTKSRYSC-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001158405251 1319222562 /nfs/dbraw/zinc/22/25/62/1319222562.db2.gz OXEWOOYKTJTRJH-PKOBYXMFSA-N 2 0 342.487 2.090 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001159328276 1319742102 /nfs/dbraw/zinc/74/21/02/1319742102.db2.gz RYHLGAAWJQRLND-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001162928533 1320990427 /nfs/dbraw/zinc/99/04/27/1320990427.db2.gz JZLMPQFHBFGJLV-LJQANCHMSA-N 2 0 341.499 2.155 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001163833322 1321229364 /nfs/dbraw/zinc/22/93/64/1321229364.db2.gz MOZKKRPRXQWRAX-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001164449383 1321381601 /nfs/dbraw/zinc/38/16/01/1321381601.db2.gz JZFHFEFOPWIOPY-LJQANCHMSA-N 2 0 342.487 2.276 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165736158 1321574625 /nfs/dbraw/zinc/57/46/25/1321574625.db2.gz IGJCUCSOLQBFKY-MSOLQXFVSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001166677189 1321763019 /nfs/dbraw/zinc/76/30/19/1321763019.db2.gz GMPJSMGQRTXHEC-MRXNPFEDSA-N 2 0 347.890 2.129 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001166764433 1321783863 /nfs/dbraw/zinc/78/38/63/1321783863.db2.gz CSIMZDHVYXUDBF-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203773599 1321958474 /nfs/dbraw/zinc/95/84/74/1321958474.db2.gz VZWNLUNNOIQEET-OALUTQOASA-N 2 0 339.483 2.402 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCCCC)CC2)CC1 ZINC001203887383 1321982245 /nfs/dbraw/zinc/98/22/45/1321982245.db2.gz AVDBVNTUNXWLDK-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001204057668 1322026400 /nfs/dbraw/zinc/02/64/00/1322026400.db2.gz XCDSLESUOXEYIC-UHFFFAOYSA-N 2 0 331.460 2.339 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205515754 1323172252 /nfs/dbraw/zinc/17/22/52/1323172252.db2.gz CPRBDGPZUYNCRN-UHFFFAOYSA-N 2 0 339.911 2.443 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001208453701 1324505795 /nfs/dbraw/zinc/50/57/95/1324505795.db2.gz NJBNBBZMJNNGMQ-GOSISDBHSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001574925331 1343712618 /nfs/dbraw/zinc/71/26/18/1343712618.db2.gz NPSWHIXUNDGXGN-HOTGVXAUSA-N 2 0 332.496 2.057 20 30 EEEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH+]3CCCC3)c1)C2 ZINC001580043852 1344455763 /nfs/dbraw/zinc/45/57/63/1344455763.db2.gz RODLVWUUUHTZMR-OHTSDLOESA-N 2 0 338.455 2.360 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCCO1 ZINC001202142384 1368879869 /nfs/dbraw/zinc/87/98/69/1368879869.db2.gz VOLWNDXWLFYFRK-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@H]2C)CC1 ZINC001103751542 1371060832 /nfs/dbraw/zinc/06/08/32/1371060832.db2.gz FHPVWMCKRYCGHA-NLWGTHIKSA-N 2 0 347.547 2.452 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353339 1371409981 /nfs/dbraw/zinc/40/99/81/1371409981.db2.gz CNFDFXIFGQUTJC-BJLQDIEVSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC001100442513 1373042809 /nfs/dbraw/zinc/04/28/09/1373042809.db2.gz KLAGYEGBZNUJCU-ZTUNLMCQSA-N 2 0 346.450 2.022 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000849076491 1373204066 /nfs/dbraw/zinc/20/40/66/1373204066.db2.gz ITGUKPJJRALQBA-UHFFFAOYSA-N 2 0 348.491 2.368 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001366477496 1373912922 /nfs/dbraw/zinc/91/29/22/1373912922.db2.gz QKYRSFQIRKPIPO-AWEZNQCLSA-N 2 0 346.450 2.166 20 30 EEEDRP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001391126613 1389057006 /nfs/dbraw/zinc/05/70/06/1389057006.db2.gz HJHVFABMTORULO-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1cccc(C#N)c1)C1CC1 ZINC001391172135 1389095693 /nfs/dbraw/zinc/09/56/93/1389095693.db2.gz KBRFOZBPDGDMTG-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001752823627 1406447216 /nfs/dbraw/zinc/44/72/16/1406447216.db2.gz GJHFIFPTODRRCJ-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401091401 1396927567 /nfs/dbraw/zinc/92/75/67/1396927567.db2.gz SKHOBSISGBLPCA-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001401665827 1397506686 /nfs/dbraw/zinc/50/66/86/1397506686.db2.gz FYPQARUCYCHWJU-CQSZACIVSA-N 2 0 334.489 2.090 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCCC1 ZINC001401709687 1397523371 /nfs/dbraw/zinc/52/33/71/1397523371.db2.gz NRVCYJCARYWWLO-OAHLLOKOSA-N 2 0 348.516 2.480 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001402936631 1398290341 /nfs/dbraw/zinc/29/03/41/1398290341.db2.gz ZUNQMOIZAYZYBH-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001755118621 1407129298 /nfs/dbraw/zinc/12/92/98/1407129298.db2.gz JKXYSJYAEZGHGI-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001426170553 1401933852 /nfs/dbraw/zinc/93/38/52/1401933852.db2.gz XXXHGVWFGVXYKE-ZDUSSCGKSA-N 2 0 348.329 2.357 20 30 EEEDRP C[C@H]1[C@H]([NH2+]CC#Cc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001755658163 1407709750 /nfs/dbraw/zinc/70/97/50/1407709750.db2.gz GJOFTKDNQYEZBS-MAUKXSAKSA-N 2 0 347.890 2.222 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167706331 761919566 /nfs/dbraw/zinc/91/95/66/761919566.db2.gz ZBCLFQZUMWVHIR-UHFFFAOYSA-N 2 0 331.504 2.008 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986903 761938398 /nfs/dbraw/zinc/93/83/98/761938398.db2.gz FYVTVYPZOMETHA-ICSRJNTNSA-N 2 0 331.504 2.247 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001167480718 759829245 /nfs/dbraw/zinc/82/92/45/759829245.db2.gz SANADNKUORWGNU-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104373375 759871928 /nfs/dbraw/zinc/87/19/28/759871928.db2.gz LZAOVEBEFOAOQE-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099340045 769638287 /nfs/dbraw/zinc/63/82/87/769638287.db2.gz OGAIJINASFJEFF-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157701 783002320 /nfs/dbraw/zinc/00/23/20/783002320.db2.gz CIIACELOYTUKJC-MOPGFXCFSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001105413442 783029488 /nfs/dbraw/zinc/02/94/88/783029488.db2.gz RZPAHZCJQVIFSA-GGPKGHCWSA-N 2 0 327.472 2.073 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001106905678 774081075 /nfs/dbraw/zinc/08/10/75/774081075.db2.gz CHLUEIFWZFNVHC-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027943939 774780102 /nfs/dbraw/zinc/78/01/02/774780102.db2.gz PWMACOZTCZQZBW-ROUUACIJSA-N 2 0 345.512 2.235 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC)CC1 ZINC001089735444 774815080 /nfs/dbraw/zinc/81/50/80/774815080.db2.gz LCHXNHREPJAIHF-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971556 775434963 /nfs/dbraw/zinc/43/49/63/775434963.db2.gz HJRMQPNZWOBLEO-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000939808486 777422557 /nfs/dbraw/zinc/42/25/57/777422557.db2.gz DWFGWRUXZILCBF-VQIMIIECSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294852 779596631 /nfs/dbraw/zinc/59/66/31/779596631.db2.gz IXPSOQKZILKDAL-SESVDKBCSA-N 2 0 345.531 2.158 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299368 779625429 /nfs/dbraw/zinc/62/54/29/779625429.db2.gz DVGSZLUKIGLIAC-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397446 790804740 /nfs/dbraw/zinc/80/47/40/790804740.db2.gz BTXWTZMPDHHRIH-ROUUACIJSA-N 2 0 339.524 2.258 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860599 790874222 /nfs/dbraw/zinc/87/42/22/790874222.db2.gz SVRCEJQYNJLXHZ-VKJFTORMSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808289 783539432 /nfs/dbraw/zinc/53/94/32/783539432.db2.gz MQDVGPOAWUDVHN-GBESFXJTSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+](C)C ZINC001135371725 783660158 /nfs/dbraw/zinc/66/01/58/783660158.db2.gz IHGPQKXRDPVVAZ-ZIAGYGMSSA-N 2 0 334.439 2.022 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC[NH+](C)C ZINC001135372288 783662503 /nfs/dbraw/zinc/66/25/03/783662503.db2.gz QDMSOVKTMMQQGT-UONOGXRCSA-N 2 0 334.439 2.022 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135437161 783766093 /nfs/dbraw/zinc/76/60/93/783766093.db2.gz PPFADJDSMVOJGP-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1ccnc1CC)CC2 ZINC001035186793 784063610 /nfs/dbraw/zinc/06/36/10/784063610.db2.gz JHYQJLORCODJTQ-QGZVFWFLSA-N 2 0 342.487 2.344 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135743813 784351894 /nfs/dbraw/zinc/35/18/94/784351894.db2.gz PTORIBBEMORXPL-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135922928 784802465 /nfs/dbraw/zinc/80/24/65/784802465.db2.gz DHGZRROXJZIVIU-SJORKVTESA-N 2 0 327.513 2.184 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035772441 785152127 /nfs/dbraw/zinc/15/21/27/785152127.db2.gz BEWYWHNOWHWCAS-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCC4CC4)C3)CC2)CC1 ZINC001035855849 785294052 /nfs/dbraw/zinc/29/40/52/785294052.db2.gz ABPZAWBVMHYRAS-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036193312 785963965 /nfs/dbraw/zinc/96/39/65/785963965.db2.gz MESIJZPQWVVMDN-DZGCQCFKSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109561598 805680447 /nfs/dbraw/zinc/68/04/47/805680447.db2.gz GQRLQZCMRBYZOV-QYZOEREBSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652416 787991642 /nfs/dbraw/zinc/99/16/42/787991642.db2.gz SKHGRMSKDOEDBI-TZIWHRDSSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CCCC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001105724397 789261956 /nfs/dbraw/zinc/26/19/56/789261956.db2.gz ACOIPZDFGOLRJB-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908901 789794905 /nfs/dbraw/zinc/79/49/05/789794905.db2.gz HHPKRDSYCVZPGD-MANSERQUSA-N 2 0 331.504 2.217 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001146336938 791180478 /nfs/dbraw/zinc/18/04/78/791180478.db2.gz CEMNZJVXGGKYNT-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001146338908 791192786 /nfs/dbraw/zinc/19/27/86/791192786.db2.gz ITOBWTVMRFTSSZ-HZPDHXFCSA-N 2 0 328.460 2.027 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992143780 792906105 /nfs/dbraw/zinc/90/61/05/792906105.db2.gz CYXFAAPPMLHXFF-CMKODMSKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191822 793155713 /nfs/dbraw/zinc/15/57/13/793155713.db2.gz SBRFWHKSVSFNML-ZYSHUDEJSA-N 2 0 337.483 2.498 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992316033 793641737 /nfs/dbraw/zinc/64/17/37/793641737.db2.gz LSCCSBCTEABLPB-TZIWHRDSSA-N 2 0 339.483 2.498 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133749 794650547 /nfs/dbraw/zinc/65/05/47/794650547.db2.gz MKROGQSQXXKFTR-GUDVDZBRSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001093383543 795125606 /nfs/dbraw/zinc/12/56/06/795125606.db2.gz MUDZOFAZOCDIMW-GOSISDBHSA-N 2 0 343.515 2.361 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001079735673 795150840 /nfs/dbraw/zinc/15/08/40/795150840.db2.gz AUGKOOBDDSPPAE-OLMNPRSZSA-N 2 0 345.491 2.193 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107998746 795346404 /nfs/dbraw/zinc/34/64/04/795346404.db2.gz QREOAANDCREGSF-AZUAARDMSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078640098 796786949 /nfs/dbraw/zinc/78/69/49/796786949.db2.gz SFOPQXUGSISQMX-GJZGRUSLSA-N 2 0 331.485 2.074 20 30 EEEDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172307389 796950168 /nfs/dbraw/zinc/95/01/68/796950168.db2.gz DIEWDGXIPBNYAZ-OAHLLOKOSA-N 2 0 329.444 2.236 20 30 EEEDRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972039 797175755 /nfs/dbraw/zinc/17/57/55/797175755.db2.gz VXOMEJQWQOIEIR-JYJNAYRXSA-N 2 0 336.480 2.352 20 30 EEEDRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976826 797178586 /nfs/dbraw/zinc/17/85/86/797178586.db2.gz VSCNNUBXJSNKGF-CABCVRRESA-N 2 0 338.496 2.455 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001095009388 797227106 /nfs/dbraw/zinc/22/71/06/797227106.db2.gz DZLLLJYNXUQTRB-BBWFWOEESA-N 2 0 339.911 2.440 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994482859 798078290 /nfs/dbraw/zinc/07/82/90/798078290.db2.gz FJEOFXSVEXKWAF-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001175326942 798078613 /nfs/dbraw/zinc/07/86/13/798078613.db2.gz YYFMSIPUOOQRSN-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676038 798361867 /nfs/dbraw/zinc/36/18/67/798361867.db2.gz OWJXKRVXGUADRI-YSTOQKLRSA-N 2 0 339.483 2.051 20 30 EEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453039 798370702 /nfs/dbraw/zinc/37/07/02/798370702.db2.gz OXQYJFAFDDTGEN-KZNAEPCWSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](F)CC)CC1 ZINC001176739707 798543693 /nfs/dbraw/zinc/54/36/93/798543693.db2.gz YSDYFUZMSFVZQU-WMZOPIPTSA-N 2 0 339.499 2.344 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049619 798638178 /nfs/dbraw/zinc/63/81/78/798638178.db2.gz OEGVBFPRUJASSN-OTWHNJEPSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176986088 798674477 /nfs/dbraw/zinc/67/44/77/798674477.db2.gz DMGVWSNRIUYCRJ-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239064 799833842 /nfs/dbraw/zinc/83/38/42/799833842.db2.gz OVKZGOZNRLJJHB-IRXDYDNUSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081205 801500728 /nfs/dbraw/zinc/50/07/28/801500728.db2.gz FZXPOPKJQAUTND-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592327 801680976 /nfs/dbraw/zinc/68/09/76/801680976.db2.gz HTYDOTWLIMEQCV-ZGXWSNOMSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004455730 802114446 /nfs/dbraw/zinc/11/44/46/802114446.db2.gz ABTJMHCTLHEWEO-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185054273 802304725 /nfs/dbraw/zinc/30/47/25/802304725.db2.gz YBKHNVRFVUVJIA-ZFWWWQNUSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653801 802650103 /nfs/dbraw/zinc/65/01/03/802650103.db2.gz HMHFJEKBCIWKSN-HDICACEKSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108824195 804566858 /nfs/dbraw/zinc/56/68/58/804566858.db2.gz YLRRJCYRHVMNGY-OTWHNJEPSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086624152 810935404 /nfs/dbraw/zinc/93/54/04/810935404.db2.gz PYVAGUQZIAWBMZ-HSALFYBXSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001131562156 812971712 /nfs/dbraw/zinc/97/17/12/812971712.db2.gz MOEALBFHBOSUFE-POAQFYNOSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333129 1097842895 /nfs/dbraw/zinc/84/28/95/1097842895.db2.gz RNGLECVPNVGVPN-LJQANCHMSA-N 2 0 342.487 2.180 20 30 EEEDRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443935415 1098455164 /nfs/dbraw/zinc/45/51/64/1098455164.db2.gz PARVJAAESBDLQI-QGZVFWFLSA-N 2 0 328.460 2.027 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001496370346 1100963755 /nfs/dbraw/zinc/96/37/55/1100963755.db2.gz UGQSBGLHTUAWHM-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@H+](CC(=O)NCC1CN(Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001494592397 1104179294 /nfs/dbraw/zinc/17/92/94/1104179294.db2.gz FIQMIVCVLGCNMN-UHFFFAOYSA-N 2 0 348.516 2.146 20 30 EEEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000079307332 217205647 /nfs/dbraw/zinc/20/56/47/217205647.db2.gz GUUDCCXEQCMCAH-OAHLLOKOSA-N 2 0 346.475 2.018 20 30 EEEDRP C[C@H](C[NH+](C)C)Nc1cc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1C#N ZINC000343800711 161169377 /nfs/dbraw/zinc/16/93/77/161169377.db2.gz ZCXQNCVIZWLGNZ-CHWSQXEVSA-N 2 0 348.451 2.190 20 30 EEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000369398899 166252874 /nfs/dbraw/zinc/25/28/74/166252874.db2.gz QUMNBIZWFNXMJJ-IBGZPJMESA-N 2 0 342.487 2.037 20 30 EEEDRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000424176382 278009840 /nfs/dbraw/zinc/00/98/40/278009840.db2.gz RGNNTEVUVWMTRV-NEWSRXKRSA-N 2 0 342.487 2.424 20 30 EEEDRP CC1(C)CC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000550720516 318454301 /nfs/dbraw/zinc/45/43/01/318454301.db2.gz BBEKQRMCWFERCC-INIZCTEOSA-N 2 0 331.460 2.197 20 30 EEEDRP CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000566555345 319300042 /nfs/dbraw/zinc/30/00/42/319300042.db2.gz CIEBDSWZJXVNDD-UHFFFAOYSA-N 2 0 346.500 2.252 20 30 EEEDRP CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000580183539 324010047 /nfs/dbraw/zinc/01/00/47/324010047.db2.gz DZXKXHCSHRJYRK-UHFFFAOYSA-N 2 0 349.500 2.044 20 30 EEEDRP CC(C)c1cc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)no1 ZINC000328613747 465071619 /nfs/dbraw/zinc/07/16/19/465071619.db2.gz QOYTUMSHYRCTNF-UHFFFAOYSA-N 2 0 349.479 2.683 20 30 EEEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000328662111 465092618 /nfs/dbraw/zinc/09/26/18/465092618.db2.gz AJQIXIFCUIIOHL-ZACQAIPSSA-N 2 0 345.491 2.379 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(NCc2sc(C)nc2C)=[NH+]C)CC1 ZINC000089062236 462650023 /nfs/dbraw/zinc/65/00/23/462650023.db2.gz GMHFOVJTFUDQJW-UHFFFAOYSA-N 2 0 335.521 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448576 463292925 /nfs/dbraw/zinc/29/29/25/463292925.db2.gz FCJYMSWXSYFYPJ-PXNSSMCTSA-N 2 0 339.483 2.111 20 30 EEEDRP CC[NH+]1CCN(CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000125873593 463587677 /nfs/dbraw/zinc/58/76/77/463587677.db2.gz QAYWXQMPQDRCNJ-UHFFFAOYSA-N 2 0 326.488 2.228 20 30 EEEDRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCCO1 ZINC000277533517 463919563 /nfs/dbraw/zinc/91/95/63/463919563.db2.gz XSNSSZQKBVGHBV-OAHLLOKOSA-N 2 0 330.476 2.403 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277601653 463921992 /nfs/dbraw/zinc/92/19/92/463921992.db2.gz WXXRPFPIDBKPSJ-QGZVFWFLSA-N 2 0 330.476 2.159 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000291605865 464156682 /nfs/dbraw/zinc/15/66/82/464156682.db2.gz JCCMVKZLIXSBAV-QUCCMNQESA-N 2 0 348.535 2.422 20 30 EEEDRP C=CCc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc(OC)c1O ZINC000282205094 464734439 /nfs/dbraw/zinc/73/44/39/464734439.db2.gz CWPZOFFTICZYBG-UHFFFAOYSA-N 2 0 347.503 2.245 20 30 EEEDRP CC(C)(C)NC(=[NH2+])NCc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000274254965 464740005 /nfs/dbraw/zinc/74/00/05/464740005.db2.gz ZPOWAEVGCNGHHE-UHFFFAOYSA-N 2 0 332.496 2.092 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593919116 468433288 /nfs/dbraw/zinc/43/32/88/468433288.db2.gz OVDNGPBHJFGHNL-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+](C)C1(CNC(=O)N[C@H]2CCn3ccnc3C2)CCCCCC1 ZINC000330172899 465557893 /nfs/dbraw/zinc/55/78/93/465557893.db2.gz GVGJDBTWUSYRQG-HNNXBMFYSA-N 2 0 333.480 2.356 20 30 EEEDRP CN(c1ncc(C#N)cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363178975 466266275 /nfs/dbraw/zinc/26/62/75/466266275.db2.gz BFYPNIIGUDSNQJ-OAHLLOKOSA-N 2 0 333.867 2.211 20 30 EEEDRP Cc1cc(NC2CC[NH+](C)CC2)c(C#N)c(NC2CC[NH+](C)CC2)n1 ZINC000591593542 468487948 /nfs/dbraw/zinc/48/79/48/468487948.db2.gz LHXXFXZSGZHOFX-UHFFFAOYSA-N 2 0 342.491 2.274 20 30 EEEDRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424139991 466988826 /nfs/dbraw/zinc/98/88/26/466988826.db2.gz AUCAIHMFRHOOCW-HNNXBMFYSA-N 2 0 329.448 2.152 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000433325387 467318838 /nfs/dbraw/zinc/31/88/38/467318838.db2.gz GDCAHINOKAXERP-YJBOKZPZSA-N 2 0 338.459 2.431 20 30 EEEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305937 467346649 /nfs/dbraw/zinc/34/66/49/467346649.db2.gz QDXCMEIGJUJTAB-JKSUJKDBSA-N 2 0 326.448 2.211 20 30 EEEDRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1C#N ZINC000440615511 467570493 /nfs/dbraw/zinc/57/04/93/467570493.db2.gz POIJXEMRPVNBMH-UHFFFAOYSA-N 2 0 330.476 2.073 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397525 467681269 /nfs/dbraw/zinc/68/12/69/467681269.db2.gz QMKBWWJHXZASJA-NJAFHUGGSA-N 2 0 331.460 2.103 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](C(C)C)CC1)C(C)C ZINC000503391453 467938109 /nfs/dbraw/zinc/93/81/09/467938109.db2.gz LHVJPFDHJUSFPU-GOSISDBHSA-N 2 0 336.524 2.421 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488801916 468105631 /nfs/dbraw/zinc/10/56/31/468105631.db2.gz QIHFBELFBBBEFR-JFIYKMOQSA-N 2 0 334.508 2.009 20 30 EEEDRP N#CCC[C@@H](C#N)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000566850682 468159400 /nfs/dbraw/zinc/15/94/00/468159400.db2.gz OVZXCDZEDSPIQX-FQEVSTJZSA-N 2 0 339.487 2.227 20 30 EEEDRP C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426622 469392789 /nfs/dbraw/zinc/39/27/89/469392789.db2.gz CDLUEDHIIRMEGN-FXAWDEMLSA-N 2 0 342.487 2.005 20 30 EEEDRP C[NH+](C)CCCNC(=S)NN=C1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000748788232 577966801 /nfs/dbraw/zinc/96/68/01/577966801.db2.gz POWTYCCDNBWTQM-INIZCTEOSA-N 2 0 339.553 2.187 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC000970791844 676153986 /nfs/dbraw/zinc/15/39/86/676153986.db2.gz AJCIEMHBPNKFLW-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682771 676338617 /nfs/dbraw/zinc/33/86/17/676338617.db2.gz TWHMCENPQDOMKF-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001022109039 676658689 /nfs/dbraw/zinc/65/86/89/676658689.db2.gz BUBWMOBLPZWAOV-ZSYWTGECSA-N 2 0 340.471 2.025 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520953 676684090 /nfs/dbraw/zinc/68/40/90/676684090.db2.gz CIQTXKKMWQYPKA-KRWDZBQOSA-N 2 0 334.508 2.248 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)C(C)C ZINC000891939757 677721157 /nfs/dbraw/zinc/72/11/57/677721157.db2.gz DUKWSQYVBTVFLM-KURKYZTESA-N 2 0 334.508 2.031 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001022493255 677784719 /nfs/dbraw/zinc/78/47/19/677784719.db2.gz PGYSOBJHYOORKO-IYBDPMFKSA-N 2 0 335.879 2.394 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001022721044 678331873 /nfs/dbraw/zinc/33/18/73/678331873.db2.gz NRKMYTNVKAGSOS-CALCHBBNSA-N 2 0 335.879 2.394 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1 ZINC001022809233 678585526 /nfs/dbraw/zinc/58/55/26/678585526.db2.gz HFCBIUKLMWWLRA-KDURUIRLSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)N1CCC2(C1)CCOCC2 ZINC000262804253 679553645 /nfs/dbraw/zinc/55/36/45/679553645.db2.gz RSWJOOYDRIEKDN-QGZVFWFLSA-N 2 0 336.524 2.329 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569757 681214176 /nfs/dbraw/zinc/21/41/76/681214176.db2.gz GAIGGFJERURNFV-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000892851188 683134940 /nfs/dbraw/zinc/13/49/40/683134940.db2.gz DXPLTTFPWXZYLC-QGZVFWFLSA-N 2 0 336.524 2.400 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025630733 683168270 /nfs/dbraw/zinc/16/82/70/683168270.db2.gz VKHULFCFKQSWDM-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262749619 688346499 /nfs/dbraw/zinc/34/64/99/688346499.db2.gz BLLFJPZQOZUPFN-YYIAUSFCSA-N 2 0 336.524 2.229 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001027487423 692365074 /nfs/dbraw/zinc/36/50/74/692365074.db2.gz UCVPNVFJPOGJEO-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CCN1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272715988 1191976586 /nfs/dbraw/zinc/97/65/86/1191976586.db2.gz BQTKOTKBGHNAFA-FQEVSTJZSA-N 2 0 331.504 2.200 20 30 EEEDRP C=C(Br)C[NH2+]C[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001481942793 1183004415 /nfs/dbraw/zinc/00/44/15/1183004415.db2.gz UKGBSDQROJCICS-ZFWWWQNUSA-N 2 0 346.313 2.110 20 30 EEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001088345737 1186622005 /nfs/dbraw/zinc/62/20/05/1186622005.db2.gz WGUDTNYBGGGWOE-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001105446076 1187195667 /nfs/dbraw/zinc/19/56/67/1187195667.db2.gz AMYQSLJTYRTLNV-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001105446723 1187201090 /nfs/dbraw/zinc/20/10/90/1187201090.db2.gz RNMCOSYZLLFYBO-QFUCXCTJSA-N 2 0 341.499 2.320 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cncc2C)CCC1 ZINC001105549661 1188165350 /nfs/dbraw/zinc/16/53/50/1188165350.db2.gz RGIBBSHXWMASKP-GOSISDBHSA-N 2 0 342.487 2.356 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001168294745 1188254859 /nfs/dbraw/zinc/25/48/59/1188254859.db2.gz FRPDFLLAXAOFEQ-LXPRWKDFSA-N 2 0 329.488 2.354 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244372 1188806229 /nfs/dbraw/zinc/80/62/29/1188806229.db2.gz PSBHLIXVTOGCRX-FCEWJHQRSA-N 2 0 337.483 2.308 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445091 1196220491 /nfs/dbraw/zinc/22/04/91/1196220491.db2.gz PPUXTCRCNURLSJ-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc[nH]1 ZINC001273146338 1197023896 /nfs/dbraw/zinc/02/38/96/1197023896.db2.gz KHRVJBKCAPKFDC-OALUTQOASA-N 2 0 342.487 2.232 20 30 EEEDRP C[N@H+](CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)CC(C)(C)C ZINC001133899580 1199163351 /nfs/dbraw/zinc/16/33/51/1199163351.db2.gz NHMAFLZNQSPFNF-UHFFFAOYSA-N 2 0 349.906 2.375 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608109 1199699772 /nfs/dbraw/zinc/69/97/72/1199699772.db2.gz QVQZNPSXOGRNNG-HZPDHXFCSA-N 2 0 342.487 2.415 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441474 1199726191 /nfs/dbraw/zinc/72/61/91/1199726191.db2.gz PRSMLBPWXLDEDI-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165446 1200539343 /nfs/dbraw/zinc/53/93/43/1200539343.db2.gz GYESNSDAXGNRTK-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133249556 1200640449 /nfs/dbraw/zinc/64/04/49/1200640449.db2.gz GXDXEHXIBGNPKQ-FXAWDEMLSA-N 2 0 345.531 2.206 20 30 EEEDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001275589425 1205432911 /nfs/dbraw/zinc/43/29/11/1205432911.db2.gz SQDBEHFZZLNYJP-GOSISDBHSA-N 2 0 332.517 2.469 20 30 EEEDRP CC(C)(C)[NH2+]CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000929581775 1206488102 /nfs/dbraw/zinc/48/81/02/1206488102.db2.gz LWVYIEFSRBOZOR-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766785 1209360956 /nfs/dbraw/zinc/36/09/56/1209360956.db2.gz OBBJDXZOYPGTEA-LPHOPBHVSA-N 2 0 337.483 2.145 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CCO2 ZINC000949204351 1209576352 /nfs/dbraw/zinc/57/63/52/1209576352.db2.gz DGHHAZHPFWRUFX-SFHVURJKSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C[C@H](F)CC)CC2)CC1 ZINC001006445683 1209779810 /nfs/dbraw/zinc/77/98/10/1209779810.db2.gz MSXLRJWRYOPQEF-QGZVFWFLSA-N 2 0 337.483 2.003 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303872542 1213916093 /nfs/dbraw/zinc/91/60/93/1213916093.db2.gz CBCUASGKJVZVKL-UHFFFAOYSA-N 2 0 345.535 2.145 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733760 1225605345 /nfs/dbraw/zinc/60/53/45/1225605345.db2.gz WSDKXGNOWLJRJT-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCCCC3)cc2F)CC1 ZINC000304753025 1216102649 /nfs/dbraw/zinc/10/26/49/1216102649.db2.gz KSRJPUUJZDESKW-UHFFFAOYSA-N 2 0 347.482 2.268 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC000960135013 1216377908 /nfs/dbraw/zinc/37/79/08/1216377908.db2.gz GQVZCKDFTMBIKL-YOEHRIQHSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COc1ccccc1OC ZINC000305688139 1216975766 /nfs/dbraw/zinc/97/57/66/1216975766.db2.gz PHWVJQXCRQQIBO-CVEARBPZSA-N 2 0 348.491 2.099 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411343 1217179629 /nfs/dbraw/zinc/17/96/29/1217179629.db2.gz LSVQDLHNSSXCKV-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961439169 1217190686 /nfs/dbraw/zinc/19/06/86/1217190686.db2.gz FTYRAUCKKCASHJ-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315206 1217507846 /nfs/dbraw/zinc/50/78/46/1217507846.db2.gz RJMNMFRHTSNYKX-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327951 1217523015 /nfs/dbraw/zinc/52/30/15/1217523015.db2.gz JJJDNCJMVGSCKQ-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018938203 1228552257 /nfs/dbraw/zinc/55/22/57/1228552257.db2.gz DBNGOCYRFNMSSJ-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020214471 1229559161 /nfs/dbraw/zinc/55/91/61/1229559161.db2.gz UQXWAZWIPIQTPF-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001039041398 1230257148 /nfs/dbraw/zinc/25/71/48/1230257148.db2.gz CGTIVHVUOULLSG-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128135 1230336660 /nfs/dbraw/zinc/33/66/60/1230336660.db2.gz VGKWAUCWTVGLSF-IAGOWNOFSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137923 1230351574 /nfs/dbraw/zinc/35/15/74/1230351574.db2.gz LBHXBNCMSIONMP-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039138918 1230353052 /nfs/dbraw/zinc/35/30/52/1230353052.db2.gz YRXSUMACSDDFIH-PMACEKPBSA-N 2 0 345.531 2.158 20 30 EEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163410 1230385451 /nfs/dbraw/zinc/38/54/51/1230385451.db2.gz CLDYDCVUQXPINX-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224914 1230456256 /nfs/dbraw/zinc/45/62/56/1230456256.db2.gz KSMMDXBAURBPJL-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039249562 1230486066 /nfs/dbraw/zinc/48/60/66/1230486066.db2.gz CADDMEAYNSHBBB-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039284053 1230508334 /nfs/dbraw/zinc/50/83/34/1230508334.db2.gz CWHMICHUJJRCRN-ALOPSCKCSA-N 2 0 336.439 2.391 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC[C@@H](C)F)CC1 ZINC001040014157 1230964007 /nfs/dbraw/zinc/96/40/07/1230964007.db2.gz FJGZYTFWBXSRNP-QRQLOZEOSA-N 2 0 349.494 2.145 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040207299 1231103241 /nfs/dbraw/zinc/10/32/41/1231103241.db2.gz CCNBRGUZMRQOHS-QUCCMNQESA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257206 1231136534 /nfs/dbraw/zinc/13/65/34/1231136534.db2.gz CRJNGUKDYVEEDN-FQEVSTJZSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313571 1231164602 /nfs/dbraw/zinc/16/46/02/1231164602.db2.gz LLBORBJCBRMQAU-PZJWPPBQSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC001040543311 1231284376 /nfs/dbraw/zinc/28/43/76/1231284376.db2.gz OENFPPWJAZSJNP-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421871 1231540115 /nfs/dbraw/zinc/54/01/15/1231540115.db2.gz LAAXFHRXVNXXEP-HXUWFJFHSA-N 2 0 336.439 2.204 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725200 1231663395 /nfs/dbraw/zinc/66/33/95/1231663395.db2.gz LKCIEZNBXAJBGA-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042112467 1231897432 /nfs/dbraw/zinc/89/74/32/1231897432.db2.gz RJSCJKADZFXVKP-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042304449 1232017084 /nfs/dbraw/zinc/01/70/84/1232017084.db2.gz NXPGUOWEOJQEKA-IEBWSBKVSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365010 1232047555 /nfs/dbraw/zinc/04/75/55/1232047555.db2.gz ICOOADUQSUKFOI-QUCCMNQESA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC4CCC4)[C@@H]3C2)CC1 ZINC001042367608 1232049521 /nfs/dbraw/zinc/04/95/21/1232049521.db2.gz ITAJCGSTYKOAPN-AZUAARDMSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001045079020 1233489081 /nfs/dbraw/zinc/48/90/81/1233489081.db2.gz UBLZIIKHXFGZKX-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045092997 1233497651 /nfs/dbraw/zinc/49/76/51/1233497651.db2.gz JSBJCAHNQYRLRK-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045199861 1233575805 /nfs/dbraw/zinc/57/58/05/1233575805.db2.gz LJCJGVGSZFWWPA-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001045321544 1233666836 /nfs/dbraw/zinc/66/68/36/1233666836.db2.gz VKWDCURZOUERAG-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938698 1234194041 /nfs/dbraw/zinc/19/40/41/1234194041.db2.gz JHQCQMQSWCZUDQ-NLWGTHIKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941297 1234198855 /nfs/dbraw/zinc/19/88/55/1234198855.db2.gz IPSLVIXIPAJONW-FPOVZHCZSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046951376 1235347046 /nfs/dbraw/zinc/34/70/46/1235347046.db2.gz BLOAKWMZQLOHIQ-LSDHHAIUSA-N 2 0 329.435 2.120 20 30 EEEDRP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953324 1235349300 /nfs/dbraw/zinc/34/93/00/1235349300.db2.gz CTLKSIUOIOTAMD-AWEZNQCLSA-N 2 0 334.370 2.207 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252487 1235754217 /nfs/dbraw/zinc/75/42/17/1235754217.db2.gz DAMOXNJJNIRREK-LJQANCHMSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313548 1237316295 /nfs/dbraw/zinc/31/62/95/1237316295.db2.gz JWSOUOGTFJIDEP-XWSJACJDSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048539504 1237913819 /nfs/dbraw/zinc/91/38/19/1237913819.db2.gz PZHCZMUGAZDXHE-IYWMVGAKSA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887794 1239147154 /nfs/dbraw/zinc/14/71/54/1239147154.db2.gz DQMSCTAISVSZME-RDGPPVDQSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000315750 1240162931 /nfs/dbraw/zinc/16/29/31/1240162931.db2.gz CASPLGLXXBRQBM-WMZOPIPTSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049662912 1241809606 /nfs/dbraw/zinc/80/96/06/1241809606.db2.gz JRTKFOIZMWYTOM-GBESFXJTSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(=C)C)CC1 ZINC001049909352 1242657307 /nfs/dbraw/zinc/65/73/07/1242657307.db2.gz AHDSYULJNQZMFQ-PMACEKPBSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001050661820 1244069603 /nfs/dbraw/zinc/06/96/03/1244069603.db2.gz CUVJXRQIWLTAIF-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001101547523 1245951083 /nfs/dbraw/zinc/95/10/83/1245951083.db2.gz FHMPBMCWOBCSMN-GOSISDBHSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001101582239 1245990151 /nfs/dbraw/zinc/99/01/51/1245990151.db2.gz FQBZVXQPQOJIEP-RBUKOAKNSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC=C)CC1 ZINC001111456626 1246168394 /nfs/dbraw/zinc/16/83/94/1246168394.db2.gz MZBDZRXXLMPKMX-QRVBRYPASA-N 2 0 329.488 2.019 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245602 1247860615 /nfs/dbraw/zinc/86/06/15/1247860615.db2.gz WNECTLUGHDKEDB-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185411676 1278642465 /nfs/dbraw/zinc/64/24/65/1278642465.db2.gz KUSLWHPUAURFHD-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134762554 1278011542 /nfs/dbraw/zinc/01/15/42/1278011542.db2.gz BRLQJOGHISTNTI-IBGZPJMESA-N 2 0 327.472 2.007 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001187135635 1279410870 /nfs/dbraw/zinc/41/08/70/1279410870.db2.gz XPHZFYAEIKZKHI-GOSISDBHSA-N 2 0 348.450 2.003 20 30 EEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644898 1280992507 /nfs/dbraw/zinc/99/25/07/1280992507.db2.gz ONNFOLHITMBHOE-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001071063269 1286745758 /nfs/dbraw/zinc/74/57/58/1286745758.db2.gz MYRITCGIJUOSCL-GGPKGHCWSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001201321421 1289478960 /nfs/dbraw/zinc/47/89/60/1289478960.db2.gz KHZNNCMUCNWADF-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CCCO1 ZINC001201668727 1289706237 /nfs/dbraw/zinc/70/62/37/1289706237.db2.gz KNNGEWQPLFGVEX-QZTJIDSGSA-N 2 0 339.524 2.136 20 30 EEEDRP C[NH+]1CCN(c2cc(-n3cc(C#N)c4ccc(N)cc43)cc[nH+]2)CC1 ZINC001201668021 1289706331 /nfs/dbraw/zinc/70/63/31/1289706331.db2.gz POELAEGMXCUVBY-UHFFFAOYSA-N 2 0 332.411 2.231 20 30 EEEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060176 1289893013 /nfs/dbraw/zinc/89/30/13/1289893013.db2.gz TYMOERPUAWEXOR-ROUUACIJSA-N 2 0 339.524 2.116 20 30 EEEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219347022 1297990480 /nfs/dbraw/zinc/99/04/80/1297990480.db2.gz CFVGWYKJGITDBR-BEFAXECRSA-N 2 0 334.423 2.176 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001220600228 1298468957 /nfs/dbraw/zinc/46/89/57/1298468957.db2.gz FLUWJHHKGBGMQU-ROUUACIJSA-N 2 0 336.524 2.469 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220868613 1298566186 /nfs/dbraw/zinc/56/61/86/1298566186.db2.gz MDOJSOJTNMWWIL-CEXWTWQISA-N 2 0 327.472 2.494 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899545 1299473539 /nfs/dbraw/zinc/47/35/39/1299473539.db2.gz VHLWFEJKMLUSRB-DLBZAZTESA-N 2 0 341.540 2.239 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189655 1300529971 /nfs/dbraw/zinc/52/99/71/1300529971.db2.gz FHXGDTPYAVGYSE-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCN1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001224857005 1300760076 /nfs/dbraw/zinc/76/00/76/1300760076.db2.gz FWSYFKJRGAPKDP-BZSNNMDCSA-N 2 0 348.535 2.140 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229231970 1302686520 /nfs/dbraw/zinc/68/65/20/1302686520.db2.gz VNEKKKWYVCDFGV-IAGOWNOFSA-N 2 0 348.516 2.479 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1 ZINC001230778879 1303451302 /nfs/dbraw/zinc/45/13/02/1303451302.db2.gz YSIKGCOCRIOVSD-UHFFFAOYSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230781290 1303451993 /nfs/dbraw/zinc/45/19/93/1303451993.db2.gz INPHABKJQSVHDT-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)Cc1cccnc1 ZINC001230932368 1303551983 /nfs/dbraw/zinc/55/19/83/1303551983.db2.gz UHNZNMAASGETCR-UHFFFAOYSA-N 2 0 332.492 2.306 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001235280402 1305176169 /nfs/dbraw/zinc/17/61/69/1305176169.db2.gz JJUKMNLLXIDJNV-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCCCC1 ZINC001115541969 1305307607 /nfs/dbraw/zinc/30/76/07/1305307607.db2.gz FXDAHIICPUDORD-UHFFFAOYSA-N 2 0 347.507 2.043 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423414 1309526211 /nfs/dbraw/zinc/52/62/11/1309526211.db2.gz UHGVFZPLOCBKAB-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001121295084 1309970942 /nfs/dbraw/zinc/97/09/42/1309970942.db2.gz OPCHQVDURRJLFN-UHFFFAOYSA-N 2 0 331.504 2.456 20 30 EEEDRP N#C[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CCN1 ZINC001246942429 1310473622 /nfs/dbraw/zinc/47/36/22/1310473622.db2.gz LIILQRAIDPFIEA-OALUTQOASA-N 2 0 330.451 2.271 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150047294 1316137924 /nfs/dbraw/zinc/13/79/24/1316137924.db2.gz JELDJLQKCISFJA-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001151026639 1316432868 /nfs/dbraw/zinc/43/28/68/1316432868.db2.gz IDUZWTOAZOYKFD-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC001152471997 1316676584 /nfs/dbraw/zinc/67/65/84/1316676584.db2.gz PLTSWWZOLYAWAQ-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464524 1317144871 /nfs/dbraw/zinc/14/48/71/1317144871.db2.gz OCQDNDFACZVNFL-QGZVFWFLSA-N 2 0 339.524 2.280 20 30 EEEDRP CCOC(=O)N1CCC([NH+]=C(C)NCc2cccc(C[NH3+])c2)CC1 ZINC001256237693 1318688117 /nfs/dbraw/zinc/68/81/17/1318688117.db2.gz PZNOJKUYHXXYRD-UHFFFAOYSA-N 2 0 332.448 2.274 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001159328206 1319741263 /nfs/dbraw/zinc/74/12/63/1319741263.db2.gz QTKCYICWJQSKQJ-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360323 1320143474 /nfs/dbraw/zinc/14/34/74/1320143474.db2.gz OVJXZIYYQYJFQR-LJQANCHMSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986755 1320344378 /nfs/dbraw/zinc/34/43/78/1320344378.db2.gz VQRVFGWOMYTTPF-LJQANCHMSA-N 2 0 331.504 2.270 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)(COC)CC1 ZINC001162487324 1320872513 /nfs/dbraw/zinc/87/25/13/1320872513.db2.gz DBINXABFRQKPOS-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001162832290 1320970178 /nfs/dbraw/zinc/97/01/78/1320970178.db2.gz NHPJKUXDLMTCSN-IBGZPJMESA-N 2 0 329.488 2.174 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001162836672 1320971255 /nfs/dbraw/zinc/97/12/55/1320971255.db2.gz OYNJHJMPSPQGDR-FQEVSTJZSA-N 2 0 343.515 2.257 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162987796 1321006088 /nfs/dbraw/zinc/00/60/88/1321006088.db2.gz XWHGYZOECBMVDO-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531823 1321409614 /nfs/dbraw/zinc/40/96/14/1321409614.db2.gz TXJIJSWLXZYCKU-CVEARBPZSA-N 2 0 339.911 2.489 20 30 EEEDRP N#Cc1c2c(cnc1N1CC[NH2+][C@H](Cc3ccccc3)C1)C[NH2+]CCC2 ZINC001164603513 1321431291 /nfs/dbraw/zinc/43/12/91/1321431291.db2.gz MBPGEIMYWWYOKO-GOSISDBHSA-N 2 0 347.466 2.010 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485133 1321533768 /nfs/dbraw/zinc/53/37/68/1321533768.db2.gz NIEMRRSTXWXHPG-GOSISDBHSA-N 2 0 331.504 2.293 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C12CCC2 ZINC001203358138 1321869224 /nfs/dbraw/zinc/86/92/24/1321869224.db2.gz IHBJMYUJQJXHPU-ROUUACIJSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556989 1321911947 /nfs/dbraw/zinc/91/19/47/1321911947.db2.gz MPWAMLQWRFRPDC-MSOLQXFVSA-N 2 0 331.504 2.147 20 30 EEEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001276477161 1322236854 /nfs/dbraw/zinc/23/68/54/1322236854.db2.gz DSAPURTUZTYCMU-AQNXPRMDSA-N 2 0 333.520 2.236 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205419805 1323123957 /nfs/dbraw/zinc/12/39/57/1323123957.db2.gz YXXAOEDLJUUTMZ-ZWKOTPCHSA-N 2 0 345.462 2.073 20 30 EEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001205582970 1323205226 /nfs/dbraw/zinc/20/52/26/1323205226.db2.gz XMENSEHLYHJZTH-UHFFFAOYSA-N 2 0 330.476 2.312 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869114 1323646630 /nfs/dbraw/zinc/64/66/30/1323646630.db2.gz SNTWGCVDTTVMHH-IBGZPJMESA-N 2 0 327.472 2.141 20 30 EEEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(C#N)n(C)c1)C2 ZINC001207104351 1323851487 /nfs/dbraw/zinc/85/14/87/1323851487.db2.gz BSPLVYTYVSLRID-QUCCMNQESA-N 2 0 342.487 2.077 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210494850 1325310395 /nfs/dbraw/zinc/31/03/95/1325310395.db2.gz YFGQJNSBABSUMF-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210645833 1325365139 /nfs/dbraw/zinc/36/51/39/1325365139.db2.gz UZHBKAIAWIKHOY-RTBURBONSA-N 2 0 327.472 2.283 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001331450665 1335015802 /nfs/dbraw/zinc/01/58/02/1335015802.db2.gz JSLFUSMHURZNMZ-UHFFFAOYSA-N 2 0 334.508 2.202 20 30 EEEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]cn2)CCCO1 ZINC001200653243 1338502828 /nfs/dbraw/zinc/50/28/28/1338502828.db2.gz HDOFVMVFMSYTKJ-SFHVURJKSA-N 2 0 348.491 2.296 20 30 EEEDRP C=C(C)CN(CC)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC(C)(C)C[NH+](C)C ZINC001574836181 1343706642 /nfs/dbraw/zinc/70/66/42/1343706642.db2.gz JZWROUIWQSNKRF-IYBDPMFKSA-N 2 0 348.539 2.473 20 30 EEEDRP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069576 1344462976 /nfs/dbraw/zinc/46/29/76/1344462976.db2.gz DIKULRBJHSWCBH-CABCVRRESA-N 2 0 346.862 2.472 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCF)CCCCC2)CC1 ZINC001120197044 1371813491 /nfs/dbraw/zinc/81/34/91/1371813491.db2.gz TZFMMGUJUSOMFJ-UHFFFAOYSA-N 2 0 337.483 2.100 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001366329994 1373878585 /nfs/dbraw/zinc/87/85/85/1373878585.db2.gz NHPSVWBXFALTSQ-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001369400069 1374531402 /nfs/dbraw/zinc/53/14/02/1374531402.db2.gz KMCRYVNQIJCLGM-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001397131408 1391100070 /nfs/dbraw/zinc/10/00/70/1391100070.db2.gz SZRISLHYBZRYFT-GUDVDZBRSA-N 2 0 342.487 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001752920693 1406549379 /nfs/dbraw/zinc/54/93/79/1406549379.db2.gz FAPOUYUKIXZQCL-SFHVURJKSA-N 2 0 341.499 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCC(C)C)C2)CC1 ZINC001753450680 1406743351 /nfs/dbraw/zinc/74/33/51/1406743351.db2.gz VRCAHQLWJBKYSE-IBGZPJMESA-N 2 0 333.520 2.301 20 30 EEEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001402397004 1397975790 /nfs/dbraw/zinc/97/57/90/1397975790.db2.gz QGOBCLQJEDQFJP-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001755055781 1407063692 /nfs/dbraw/zinc/06/36/92/1407063692.db2.gz OEZWPIMNCXZTAX-IRXDYDNUSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2C)CC1 ZINC001755328892 1407327188 /nfs/dbraw/zinc/32/71/88/1407327188.db2.gz UTGYHFJLPDJUKZ-SFHVURJKSA-N 2 0 341.499 2.277 20 30 EEEDRP C#CC[C@@]1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001574518130 1403522147 /nfs/dbraw/zinc/52/21/47/1403522147.db2.gz VLPPVQJVIFAXDZ-NRFANRHFSA-N 2 0 339.483 2.255 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100535921 1410664557 /nfs/dbraw/zinc/66/45/57/1410664557.db2.gz AVVKCAQRWSTFHR-UHFFFAOYSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203204119 759840658 /nfs/dbraw/zinc/84/06/58/759840658.db2.gz YYTYVSNWILBJLQ-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523331 760232259 /nfs/dbraw/zinc/23/22/59/760232259.db2.gz YRVVMGCNWBODQH-UHFFFAOYSA-N 2 0 327.900 2.347 20 30 EEEDRP COC(=O)[C@H](CS)Nc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001167621827 760754704 /nfs/dbraw/zinc/75/47/04/760754704.db2.gz RZEZBEXZMQIANI-HIFRSBDPSA-N 2 0 348.472 2.234 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461690 760936653 /nfs/dbraw/zinc/93/66/53/760936653.db2.gz OPLRYBMWEPMGHA-GOSISDBHSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980147504 773949090 /nfs/dbraw/zinc/94/90/90/773949090.db2.gz NSYRHSBGYMSUTA-OKZBNKHCSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657489 774009071 /nfs/dbraw/zinc/00/90/71/774009071.db2.gz VCOATBLMWSJFAT-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC000980257495 774202363 /nfs/dbraw/zinc/20/23/63/774202363.db2.gz UQAHMWMFRFIAHS-QXAKKESOSA-N 2 0 339.483 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C[NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC000980816692 775707239 /nfs/dbraw/zinc/70/72/39/775707239.db2.gz UPJBGRWUPCXYGL-HKUYNNGSSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181499971 776849364 /nfs/dbraw/zinc/84/93/64/776849364.db2.gz JIZMYGTVIMBKJU-DLBZAZTESA-N 2 0 330.476 2.266 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279995 779518389 /nfs/dbraw/zinc/51/83/89/779518389.db2.gz PPKSAHBXDKNLKE-UKAVVXHISA-N 2 0 343.515 2.055 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](CC(C)C)CC1 ZINC000261649383 779646005 /nfs/dbraw/zinc/64/60/05/779646005.db2.gz MHNDHEAIVKRZBQ-KSZLIROESA-N 2 0 348.535 2.229 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087441388 779952178 /nfs/dbraw/zinc/95/21/78/779952178.db2.gz FCKOQBDPMHPNKB-DFQSSKMNSA-N 2 0 341.499 2.489 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)CCCC1 ZINC001131837072 783338351 /nfs/dbraw/zinc/33/83/51/783338351.db2.gz NRQGAJUZOBNHNW-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472517 783828848 /nfs/dbraw/zinc/82/88/48/783828848.db2.gz ZTUZEPFBOSXWOC-IAGOWNOFSA-N 2 0 329.488 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574986 783887794 /nfs/dbraw/zinc/88/77/94/783887794.db2.gz NLYBNOCOKZPHMV-RBUKOAKNSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675583 784210197 /nfs/dbraw/zinc/21/01/97/784210197.db2.gz ITBZRHJGYDOQKM-SJORKVTESA-N 2 0 347.503 2.437 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135744319 784353468 /nfs/dbraw/zinc/35/34/68/784353468.db2.gz ZOQGEFCPFCMDGS-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860362 784648196 /nfs/dbraw/zinc/64/81/96/784648196.db2.gz ATFMZLRKFOBWAA-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882901 784700320 /nfs/dbraw/zinc/70/03/20/784700320.db2.gz VMWXJDJDVUDBKK-OLZOCXBDSA-N 2 0 334.302 2.110 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974409 784920125 /nfs/dbraw/zinc/92/01/25/784920125.db2.gz ORZXYMZITPZJOD-UONOGXRCSA-N 2 0 348.329 2.500 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977314 784927068 /nfs/dbraw/zinc/92/70/68/784927068.db2.gz SBDQVQVHTCLHOO-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CSc1nc(N[C@H]([NH3+])CCC[NH3+])c(C#N)c(-c2ccc(C)cc2)n1 ZINC001170899525 785239283 /nfs/dbraw/zinc/23/92/83/785239283.db2.gz VJVPZHPUKAEEDI-AWEZNQCLSA-N 2 0 342.472 2.481 20 30 EEEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000170910655 791136808 /nfs/dbraw/zinc/13/68/08/791136808.db2.gz ZBNITMGNBSAJBT-UHFFFAOYSA-N 2 0 332.517 2.262 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036130730 785886563 /nfs/dbraw/zinc/88/65/63/785886563.db2.gz IISQZWBOBBZCCJ-UKRRQHHQSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821362 787426906 /nfs/dbraw/zinc/42/69/06/787426906.db2.gz OLWZNIXIGDGKJY-MJGOQNOKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001030024724 788198785 /nfs/dbraw/zinc/19/87/85/788198785.db2.gz OKCQLSUEGLAMCA-RLLQIKCJSA-N 2 0 339.483 2.426 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001127066438 788306443 /nfs/dbraw/zinc/30/64/43/788306443.db2.gz OOTBRBXDTSJYEM-GOSISDBHSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC000997009838 788457631 /nfs/dbraw/zinc/45/76/31/788457631.db2.gz OLHMSHQSPLOBSU-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001171162361 789577745 /nfs/dbraw/zinc/57/77/45/789577745.db2.gz VXQCAUMCJSFTQN-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114822 790188243 /nfs/dbraw/zinc/18/82/43/790188243.db2.gz IPEQPSBPCWTCID-QYZOEREBSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC3CCC3)CC2)CC1 ZINC000997874023 791320551 /nfs/dbraw/zinc/32/05/51/791320551.db2.gz IZSZMDGEFRMTIJ-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021768 791845889 /nfs/dbraw/zinc/84/58/89/791845889.db2.gz HMSKTHLKSFMNDL-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998312435 792548264 /nfs/dbraw/zinc/54/82/64/792548264.db2.gz JVHJHFNPMLVFRY-UONOGXRCSA-N 2 0 333.398 2.027 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001086930820 793061296 /nfs/dbraw/zinc/06/12/96/793061296.db2.gz RHYONUWSTSDGHQ-MRXNPFEDSA-N 2 0 336.439 2.284 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071293 793534056 /nfs/dbraw/zinc/53/40/56/793534056.db2.gz PIUPERDUOJKZMG-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+]1CCC(C)CC1)CCO2 ZINC001093409839 795149879 /nfs/dbraw/zinc/14/98/79/795149879.db2.gz DHGUGBKEXJLDKW-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842524 795425851 /nfs/dbraw/zinc/42/58/51/795425851.db2.gz QKVYPWFIDGEBIM-UXHICEINSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081118723 796659245 /nfs/dbraw/zinc/65/92/45/796659245.db2.gz SJYMALPVPQUZFF-OQIJWPOYSA-N 2 0 327.472 2.097 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993617475 796844027 /nfs/dbraw/zinc/84/40/27/796844027.db2.gz CSNPIYMHKHOQLQ-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172638297 797042028 /nfs/dbraw/zinc/04/20/28/797042028.db2.gz WIYYFDMPOBMANH-RTBURBONSA-N 2 0 349.519 2.010 20 30 EEEDRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421241 797440108 /nfs/dbraw/zinc/44/01/08/797440108.db2.gz RFRUXCTXQBFUOJ-UHFFFAOYSA-N 2 0 342.487 2.484 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001082663157 797627656 /nfs/dbraw/zinc/62/76/56/797627656.db2.gz AXORHBBSGSABLP-WQVCFCJDSA-N 2 0 325.884 2.050 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001002162169 797655235 /nfs/dbraw/zinc/65/52/35/797655235.db2.gz OEKKQMLQDQRZHP-UHFFFAOYSA-N 2 0 331.460 2.196 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001176575387 798503373 /nfs/dbraw/zinc/50/33/73/798503373.db2.gz ZZKQNLVDIQDSQB-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001177484302 798976647 /nfs/dbraw/zinc/97/66/47/798976647.db2.gz AZRDAEPFRLQASE-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182472916 801206877 /nfs/dbraw/zinc/20/68/77/801206877.db2.gz KZXGRYOSDMINEY-WOJBJXKFSA-N 2 0 339.483 2.101 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597841 801807385 /nfs/dbraw/zinc/80/73/85/801807385.db2.gz MLISYBDYZBTMGQ-ZSYWTGECSA-N 2 0 333.520 2.463 20 30 EEEDRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001184292888 801976963 /nfs/dbraw/zinc/97/69/63/801976963.db2.gz XYYHRFTXTHVAHS-LJQANCHMSA-N 2 0 344.418 2.190 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004451383 802074228 /nfs/dbraw/zinc/07/42/28/802074228.db2.gz PWWDFQDSJHDAQP-ZCNNSNEGSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004458407 802112738 /nfs/dbraw/zinc/11/27/38/802112738.db2.gz LYSQFIACWQFDDZ-IBGZPJMESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457410 802118636 /nfs/dbraw/zinc/11/86/36/802118636.db2.gz KQFSXIIQPIRTIV-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108073637 802119456 /nfs/dbraw/zinc/11/94/56/802119456.db2.gz ONZZZOJSAFPFJV-LJQANCHMSA-N 2 0 342.443 2.121 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184700534 802134578 /nfs/dbraw/zinc/13/45/78/802134578.db2.gz DTGVYLBHSZSKQD-DOTOQJQBSA-N 2 0 338.455 2.354 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616201 802174963 /nfs/dbraw/zinc/17/49/63/802174963.db2.gz ZAQLFICINKZOMR-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657806 802679507 /nfs/dbraw/zinc/67/95/07/802679507.db2.gz SMKKIHFZERMJNO-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CC2CC2)CC1 ZINC001005004892 803434675 /nfs/dbraw/zinc/43/46/75/803434675.db2.gz QHFPZEFYJUARGN-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169095977 803608043 /nfs/dbraw/zinc/60/80/43/803608043.db2.gz TVZVGOFPVHJLRY-TVFCKZIOSA-N 2 0 327.472 2.106 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)N(C)C ZINC001115303780 804104358 /nfs/dbraw/zinc/10/43/58/804104358.db2.gz JSAAPSRRQOJLLK-MANSERQUSA-N 2 0 327.472 2.302 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001129417459 810831939 /nfs/dbraw/zinc/83/19/39/810831939.db2.gz OKUOHJMLKXNSLU-KRWDZBQOSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415348 811604009 /nfs/dbraw/zinc/60/40/09/811604009.db2.gz FSLCKVMDDJRQNR-JKSUJKDBSA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423300 811616430 /nfs/dbraw/zinc/61/64/30/811616430.db2.gz OOTDORQRQCRUGF-RDJZCZTQSA-N 2 0 347.507 2.122 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NCCOCCOCC[NH3+])cc1 ZINC001170513045 812015156 /nfs/dbraw/zinc/01/51/56/812015156.db2.gz FKWAWWXKASFJGJ-IBGZPJMESA-N 2 0 333.476 2.413 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001437024929 1088820968 /nfs/dbraw/zinc/82/09/68/1088820968.db2.gz VGXGZPVVIMAXGM-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccccc2C#N)CCCC1 ZINC001438400550 1090887972 /nfs/dbraw/zinc/88/79/72/1090887972.db2.gz DDIPNHCKCCBXKT-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1cccc(C#N)c1 ZINC001444334197 1098901067 /nfs/dbraw/zinc/90/10/67/1098901067.db2.gz DUFNHULASWEBIX-INIZCTEOSA-N 2 0 340.471 2.029 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001480561909 1100404066 /nfs/dbraw/zinc/40/40/66/1100404066.db2.gz LIYHPFONIVQSLC-AWEZNQCLSA-N 2 0 348.516 2.334 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2C#N)C1 ZINC001494172451 1103639633 /nfs/dbraw/zinc/63/96/33/1103639633.db2.gz PSRVQELAGGZGQV-KRWDZBQOSA-N 2 0 342.487 2.180 20 30 EEEDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380222 240461566 /nfs/dbraw/zinc/46/15/66/240461566.db2.gz HCGGSUZKQXLOAZ-SWLSCSKDSA-N 2 0 326.366 2.045 20 30 EEEDRP CCC([NH3+])(CC)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418442711 270019766 /nfs/dbraw/zinc/01/97/66/270019766.db2.gz UEOPUCAZXNXXLM-UHFFFAOYSA-N 2 0 345.491 2.149 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171724264 463913258 /nfs/dbraw/zinc/91/32/58/463913258.db2.gz QWXAMRPWJNJPED-BRWVUGGUSA-N 2 0 336.524 2.302 20 30 EEEDRP N#CCCn1cc(C[NH2+]CCC[NH+]2CCCC2)c(-c2ccncc2)n1 ZINC000278621898 463974974 /nfs/dbraw/zinc/97/49/74/463974974.db2.gz JVNTUDKTRFVRRM-UHFFFAOYSA-N 2 0 338.459 2.434 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOCc1ccccc1 ZINC000264318451 464294448 /nfs/dbraw/zinc/29/44/48/464294448.db2.gz XAOAMDBZQKZDJC-SFHVURJKSA-N 2 0 332.492 2.372 20 30 EEEDRP CN(CCC[NH+]1CCCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000281453731 464460273 /nfs/dbraw/zinc/46/02/73/464460273.db2.gz UVIJRKISYOAKAR-GOSISDBHSA-N 2 0 326.444 2.081 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000340962801 466469904 /nfs/dbraw/zinc/46/99/04/466469904.db2.gz SVIOCGXGGLNDLF-KZNAEPCWSA-N 2 0 336.524 2.467 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)C(C)C ZINC000367888819 466551031 /nfs/dbraw/zinc/55/10/31/466551031.db2.gz YUNNSYBZGYMZMC-QRVBRYPASA-N 2 0 348.535 2.421 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424181653 466998005 /nfs/dbraw/zinc/99/80/05/466998005.db2.gz ROFNHILNEYBHSX-AEFFLSMTSA-N 2 0 328.460 2.131 20 30 EEEDRP COCCC1CC[NH+](CC#CC[NH+]2CCC(CCOC)CC2)CC1 ZINC000528577197 467707559 /nfs/dbraw/zinc/70/75/59/467707559.db2.gz JWFVQVYNPNKESS-UHFFFAOYSA-N 2 0 336.520 2.487 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391685 468164710 /nfs/dbraw/zinc/16/47/10/468164710.db2.gz VGDJRZXHXLWHSW-MOPGFXCFSA-N 2 0 345.487 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000490800517 468252406 /nfs/dbraw/zinc/25/24/06/468252406.db2.gz SPYRIUPTMJLYJK-MOPGFXCFSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)CC1 ZINC000602514485 469345136 /nfs/dbraw/zinc/34/51/36/469345136.db2.gz NKRVYFGQNJRZMW-UHFFFAOYSA-N 2 0 349.482 2.381 20 30 EEEDRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602535592 469353574 /nfs/dbraw/zinc/35/35/74/469353574.db2.gz QOKKWIUKJIQXDP-RTBURBONSA-N 2 0 342.487 2.377 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728458 782142723 /nfs/dbraw/zinc/14/27/23/782142723.db2.gz XSNVOKHGXGAZCK-VQTJNVASSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000106341124 526584931 /nfs/dbraw/zinc/58/49/31/526584931.db2.gz DGGVMHJSNKHBGT-UHFFFAOYSA-N 2 0 334.508 2.297 20 30 EEEDRP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114678 674585248 /nfs/dbraw/zinc/58/52/48/674585248.db2.gz KFLIUTSYECUEOB-OAHLLOKOSA-N 2 0 325.884 2.196 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001020464121 674844319 /nfs/dbraw/zinc/84/43/19/674844319.db2.gz ZJQFBFBRXKNRAS-IYARVYRRSA-N 2 0 340.471 2.169 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccon1 ZINC000261800452 676426188 /nfs/dbraw/zinc/42/61/88/676426188.db2.gz RJSQMZPTEXZKRG-GASCZTMLSA-N 2 0 335.496 2.438 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795131 676799994 /nfs/dbraw/zinc/79/99/94/676799994.db2.gz PHPQTGGTUWFVCA-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000972264926 678467935 /nfs/dbraw/zinc/46/79/35/678467935.db2.gz IRZUKZYKGZAKDR-RBUKOAKNSA-N 2 0 342.487 2.177 20 30 EEEDRP CN(c1cc(C#N)sc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892480922 680071095 /nfs/dbraw/zinc/07/10/95/680071095.db2.gz HLYBJJXXMRYNQI-CYBMUJFWSA-N 2 0 349.460 2.133 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CCC=C)C[C@]3(C)C2)CC1 ZINC000982832416 681354154 /nfs/dbraw/zinc/35/41/54/681354154.db2.gz YQFMDVYRGDEIAY-OYRHEFFESA-N 2 0 343.515 2.078 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461497 682829085 /nfs/dbraw/zinc/82/90/85/682829085.db2.gz UPOGVUWGMZTKDV-DOTOQJQBSA-N 2 0 338.455 2.496 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465835 682840286 /nfs/dbraw/zinc/84/02/86/682840286.db2.gz WLTXFHLPRHUKMQ-WBVHZDCISA-N 2 0 338.455 2.496 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001040757501 683747866 /nfs/dbraw/zinc/74/78/66/683747866.db2.gz SXTTZOQFZRDINO-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665705 685191834 /nfs/dbraw/zinc/19/18/34/685191834.db2.gz SKDASQZJIHHAFW-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985687771 687477446 /nfs/dbraw/zinc/47/74/46/687477446.db2.gz XQSCEOGIYYMLMW-UHFFFAOYSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016228 694192431 /nfs/dbraw/zinc/19/24/31/694192431.db2.gz FPNSURIIAWVYGE-QWFCFKBJSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)N1CCc2ccccc21 ZINC000262946258 688756303 /nfs/dbraw/zinc/75/63/03/688756303.db2.gz AXQRCMVITDWMCA-KRWDZBQOSA-N 2 0 343.519 2.041 20 30 EEEDRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000263051693 688994950 /nfs/dbraw/zinc/99/49/50/688994950.db2.gz DNAVBVABFWAFEZ-CQSZACIVSA-N 2 0 332.448 2.306 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC000989829242 692372498 /nfs/dbraw/zinc/37/24/98/692372498.db2.gz PQVRYRMPPAJYIW-VQIMIIECSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000943645554 1192435962 /nfs/dbraw/zinc/43/59/62/1192435962.db2.gz FGUNHIQOTYKYBB-WMZOPIPTSA-N 2 0 338.455 2.035 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001481908087 1182927780 /nfs/dbraw/zinc/92/77/80/1182927780.db2.gz CVWYVELOMAKIQL-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088415050 1186828895 /nfs/dbraw/zinc/82/88/95/1186828895.db2.gz ZVSXJBIEVROQGJ-OAHLLOKOSA-N 2 0 325.884 2.196 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991068779 1189835014 /nfs/dbraw/zinc/83/50/14/1189835014.db2.gz PQQCTWQQCAGIKV-CMKODMSKSA-N 2 0 331.504 2.386 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001485960803 1193659585 /nfs/dbraw/zinc/65/95/85/1193659585.db2.gz MXAYHRNTFKIWJN-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001485960804 1193659639 /nfs/dbraw/zinc/65/96/39/1193659639.db2.gz MXAYHRNTFKIWJN-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990246 1195607733 /nfs/dbraw/zinc/60/77/33/1195607733.db2.gz SYFMOLNSHKPNGR-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001034528920 1196334783 /nfs/dbraw/zinc/33/47/83/1196334783.db2.gz URNZHZHREUTSGB-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001034539200 1196363312 /nfs/dbraw/zinc/36/33/12/1196363312.db2.gz XLIXWGJCCWPOQH-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001034974957 1196931943 /nfs/dbraw/zinc/93/19/43/1196931943.db2.gz MLARBIKMCZVTEY-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213848 1200600659 /nfs/dbraw/zinc/60/06/59/1200600659.db2.gz SVLOQGMRQROCHW-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001274493083 1205057310 /nfs/dbraw/zinc/05/73/10/1205057310.db2.gz ZVKXNHLUCUWVAX-FQEVSTJZSA-N 2 0 345.462 2.498 20 30 EEEDRP COCCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940289 1205211035 /nfs/dbraw/zinc/21/10/35/1205211035.db2.gz XQAVUYWSTJJQDI-LJQANCHMSA-N 2 0 330.476 2.221 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])NCCC(C)C)CC2)c1 ZINC000303877436 1213917494 /nfs/dbraw/zinc/91/74/94/1213917494.db2.gz FGOJKFQOOLQIOD-UHFFFAOYSA-N 2 0 345.535 2.458 20 30 EEEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303902023 1213922927 /nfs/dbraw/zinc/92/29/27/1213922927.db2.gz SWNKJNBSRFQWLW-DLBZAZTESA-N 2 0 325.545 2.132 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[NH+]2CCCC2)cc1 ZINC001037127858 1213954595 /nfs/dbraw/zinc/95/45/95/1213954595.db2.gz XIWONUITJCUWOH-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCOCC1 ZINC000304754697 1216102344 /nfs/dbraw/zinc/10/23/44/1216102344.db2.gz MBLXNIHNWODITO-UHFFFAOYSA-N 2 0 330.476 2.210 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304757188 1216102462 /nfs/dbraw/zinc/10/24/62/1216102462.db2.gz ONTABMFSLJCNOG-GOSISDBHSA-N 2 0 347.482 2.137 20 30 EEEDRP C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960274624 1216464977 /nfs/dbraw/zinc/46/49/77/1216464977.db2.gz AGLNSBQOIGTVJS-VAMGGRTRSA-N 2 0 339.483 2.112 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487422 1216622496 /nfs/dbraw/zinc/62/24/96/1216622496.db2.gz NDOQRRWYEVTABJ-PBHICJAKSA-N 2 0 346.500 2.137 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227302 1217098282 /nfs/dbraw/zinc/09/82/82/1217098282.db2.gz DZGMCQGWBDGYKN-SJORKVTESA-N 2 0 343.471 2.149 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961400527 1217175727 /nfs/dbraw/zinc/17/57/27/1217175727.db2.gz HSNWQJVWYZQYMF-RTBURBONSA-N 2 0 333.520 2.156 20 30 EEEDRP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410818 1217179535 /nfs/dbraw/zinc/17/95/35/1217179535.db2.gz JJRATWNIPVTAPF-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961434860 1217189073 /nfs/dbraw/zinc/18/90/73/1217189073.db2.gz IVKCWZHPROJDEX-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961570867 1217226793 /nfs/dbraw/zinc/22/67/93/1217226793.db2.gz ZUEQJWUMPGLCMZ-HCXYKTFWSA-N 2 0 331.504 2.406 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001037959865 1220752839 /nfs/dbraw/zinc/75/28/39/1220752839.db2.gz NDERXXMPMDOEOF-LSDHHAIUSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990414 1221723237 /nfs/dbraw/zinc/72/32/37/1221723237.db2.gz CVALCFORFWBZHN-OALUTQOASA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016682758 1226772577 /nfs/dbraw/zinc/77/25/77/1226772577.db2.gz RALOSQAATIWYRR-KRWDZBQOSA-N 2 0 331.504 2.409 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818411 1226902050 /nfs/dbraw/zinc/90/20/50/1226902050.db2.gz DKQKHJUWKLJYFP-OXJNMPFZSA-N 2 0 349.494 2.193 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001016826299 1226907275 /nfs/dbraw/zinc/90/72/75/1226907275.db2.gz ORXMDRGNPHUOHN-DZGCQCFKSA-N 2 0 325.884 2.051 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018837418 1228445480 /nfs/dbraw/zinc/44/54/80/1228445480.db2.gz MDQOPUBBUVDZRX-RBUKOAKNSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018968057 1228586597 /nfs/dbraw/zinc/58/65/97/1228586597.db2.gz RCRHGLHHYFHDDI-GOEBONIOSA-N 2 0 325.884 2.336 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001019812233 1229358928 /nfs/dbraw/zinc/35/89/28/1229358928.db2.gz DHQUTYVLKOOUAH-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001020250704 1229583035 /nfs/dbraw/zinc/58/30/35/1229583035.db2.gz MAHBTPBAKHLJCH-BZSNNMDCSA-N 2 0 345.874 2.174 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020250966 1229583180 /nfs/dbraw/zinc/58/31/80/1229583180.db2.gz YIPKYOMSXMJYGN-FHWLQOOXSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132387 1230342299 /nfs/dbraw/zinc/34/22/99/1230342299.db2.gz JGJNYTZQPAGOED-GBESFXJTSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141024 1230356645 /nfs/dbraw/zinc/35/66/45/1230356645.db2.gz NFKSZJNTCMOBRZ-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154336 1230374611 /nfs/dbraw/zinc/37/46/11/1230374611.db2.gz VHADBARPGTZHPF-RBUKOAKNSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223870 1230455012 /nfs/dbraw/zinc/45/50/12/1230455012.db2.gz BJWORGBGQFYGGR-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223871 1230455471 /nfs/dbraw/zinc/45/54/71/1230455471.db2.gz BJWORGBGQFYGGR-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039249564 1230486385 /nfs/dbraw/zinc/48/63/85/1230486385.db2.gz CADDMEAYNSHBBB-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cnc(C)n3C1)C2 ZINC001095934524 1230912143 /nfs/dbraw/zinc/91/21/43/1230912143.db2.gz RFLAQVSDCGQGMZ-MVJTYMMSSA-N 2 0 328.460 2.052 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040488222 1231257550 /nfs/dbraw/zinc/25/75/50/1231257550.db2.gz IZOMNPPXOJDKTD-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040818043 1231378648 /nfs/dbraw/zinc/37/86/48/1231378648.db2.gz YYYZWSXIROBSNN-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953217 1231408855 /nfs/dbraw/zinc/40/88/55/1231408855.db2.gz LCKCRSNUBRATLE-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@H](F)CC)C3)C2)CC1 ZINC001041844979 1231728443 /nfs/dbraw/zinc/72/84/43/1231728443.db2.gz QRURZLCTNUOKFU-UYAOXDASSA-N 2 0 349.494 2.004 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856960 1233319032 /nfs/dbraw/zinc/31/90/32/1233319032.db2.gz CSNLZENMDYJPRO-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCC3)C[C@@H]2C)CC1 ZINC001044872556 1233332483 /nfs/dbraw/zinc/33/24/83/1233332483.db2.gz SOOPDMIYTZHISD-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC=C(C)C)CC2)CC1 ZINC001045646312 1233880192 /nfs/dbraw/zinc/88/01/92/1233880192.db2.gz FYJGJYYUPPCVGJ-UHFFFAOYSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001048530755 1237885128 /nfs/dbraw/zinc/88/51/28/1237885128.db2.gz AUKCIYYGZHGRBQ-RDGPPVDQSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048557109 1237956933 /nfs/dbraw/zinc/95/69/33/1237956933.db2.gz GOTABLOLXJAZSI-HAGHYFMRSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001048557902 1237961192 /nfs/dbraw/zinc/96/11/92/1237961192.db2.gz VDTZLYXNILGCOW-FCGDIQPGSA-N 2 0 349.519 2.031 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578107 1238008967 /nfs/dbraw/zinc/00/89/67/1238008967.db2.gz LFHPKEQWMPPNJK-FNLKRUPLSA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939167 1239325543 /nfs/dbraw/zinc/32/55/43/1239325543.db2.gz IEGJJAKYQVVPHW-GASCZTMLSA-N 2 0 330.819 2.091 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107314 1240019231 /nfs/dbraw/zinc/01/92/31/1240019231.db2.gz DOSQDFKHYFFITG-YYIAUSFCSA-N 2 0 337.895 2.146 20 30 EEEDRP C=C(Cl)CN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482320 1241087333 /nfs/dbraw/zinc/08/73/33/1241087333.db2.gz MLXQRKOBDKJDJO-WCVJEAGWSA-N 2 0 325.884 2.144 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001005468 1241428785 /nfs/dbraw/zinc/42/87/85/1241428785.db2.gz BHAARISPNBOWAK-CVEARBPZSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001005472 1241429411 /nfs/dbraw/zinc/42/94/11/1241429411.db2.gz BHAARISPNBOWAK-HZPDHXFCSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786483 1242180708 /nfs/dbraw/zinc/18/07/08/1242180708.db2.gz BQTVTAJMPZQCID-OALUTQOASA-N 2 0 325.456 2.060 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001073667491 1242625606 /nfs/dbraw/zinc/62/56/06/1242625606.db2.gz HSXIGENAJIHDLT-QGZVFWFLSA-N 2 0 342.443 2.040 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913145 1242673998 /nfs/dbraw/zinc/67/39/98/1242673998.db2.gz BQEWPQFASDACSP-GUDVDZBRSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062514 1242755718 /nfs/dbraw/zinc/75/57/18/1242755718.db2.gz VRJQHSFXHYHZBE-GBESFXJTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001050536268 1243803337 /nfs/dbraw/zinc/80/33/37/1243803337.db2.gz IKZMHRBCWQNJSE-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050545170 1243818732 /nfs/dbraw/zinc/81/87/32/1243818732.db2.gz YGWZJERRXRJNCJ-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050634542 1244000674 /nfs/dbraw/zinc/00/06/74/1244000674.db2.gz AAYDWHRBXNKBAP-HOTGVXAUSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767127 1244942572 /nfs/dbraw/zinc/94/25/72/1244942572.db2.gz SEQGMJVJMCKPGM-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001101550706 1245955400 /nfs/dbraw/zinc/95/54/00/1245955400.db2.gz WBBGCXSIWJNGMS-OALUTQOASA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001101553763 1245957713 /nfs/dbraw/zinc/95/77/13/1245957713.db2.gz NRGFZOJSZOAYKT-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159016 1247563623 /nfs/dbraw/zinc/56/36/23/1247563623.db2.gz GAFKPESURIULNU-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182329 1247635832 /nfs/dbraw/zinc/63/58/32/1247635832.db2.gz HRXQBIYPERMABK-PZJWPPBQSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244844 1247858780 /nfs/dbraw/zinc/85/87/80/1247858780.db2.gz JUJLCOUWFKWHLP-HXUWFJFHSA-N 2 0 331.504 2.200 20 30 EEEDRP C=C(Br)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100896858 1259407798 /nfs/dbraw/zinc/40/77/98/1259407798.db2.gz OKAWYRCEORISHD-UHFFFAOYSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](CC)CC ZINC001185609725 1278717091 /nfs/dbraw/zinc/71/70/91/1278717091.db2.gz MZVKZVNVUSMQNZ-RTBURBONSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185740866 1278768332 /nfs/dbraw/zinc/76/83/32/1278768332.db2.gz FOTSHFAKQIZQIP-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192006774 1281759566 /nfs/dbraw/zinc/75/95/66/1281759566.db2.gz IWFPQQLAKGOZBL-LJQANCHMSA-N 2 0 345.462 2.052 20 30 EEEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424490 1282501215 /nfs/dbraw/zinc/50/12/15/1282501215.db2.gz MPHWHDKCUWGFRV-RBUKOAKNSA-N 2 0 327.472 2.235 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)CC1 ZINC001194247760 1282956841 /nfs/dbraw/zinc/95/68/41/1282956841.db2.gz ZMVGGKPWEULEFS-SFHVURJKSA-N 2 0 337.483 2.004 20 30 EEEDRP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCCC#N)C2=O ZINC001273712151 1283904277 /nfs/dbraw/zinc/90/42/77/1283904277.db2.gz PYBGTIJPSXJMDX-FQEVSTJZSA-N 2 0 340.471 2.232 20 30 EEEDRP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197001294 1284395472 /nfs/dbraw/zinc/39/54/72/1284395472.db2.gz YOPKZOYGWBGWSE-RCCFBDPRSA-N 2 0 339.524 2.015 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960695 1285444646 /nfs/dbraw/zinc/44/46/46/1285444646.db2.gz LGXUDEPZCBJUQO-WMZOPIPTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001201563250 1289668533 /nfs/dbraw/zinc/66/85/33/1289668533.db2.gz HXVOUKCLXFDXPJ-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072922802 1296311519 /nfs/dbraw/zinc/31/15/19/1296311519.db2.gz AQEREUZUKSACLV-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216353191 1297143539 /nfs/dbraw/zinc/14/35/39/1297143539.db2.gz VZPOFGWWNNKRRB-QRQLOZEOSA-N 2 0 327.472 2.139 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634457 1297335101 /nfs/dbraw/zinc/33/51/01/1297335101.db2.gz SFLOMLFZJFHAMI-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914298 1298752980 /nfs/dbraw/zinc/75/29/80/1298752980.db2.gz QJNZZLGKDQJODZ-JXFKEZNVSA-N 2 0 336.439 2.250 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615776 1298963835 /nfs/dbraw/zinc/96/38/35/1298963835.db2.gz YTAJHCGUEFAKQB-GUDVDZBRSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539233 1299198278 /nfs/dbraw/zinc/19/82/78/1299198278.db2.gz ZOMOCZBEPDHLFA-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223928718 1300335628 /nfs/dbraw/zinc/33/56/28/1300335628.db2.gz JCNGDDNGUIGOPW-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001224583334 1300659445 /nfs/dbraw/zinc/65/94/45/1300659445.db2.gz QLPJXOWWPUAGDY-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001225087616 1300884149 /nfs/dbraw/zinc/88/41/49/1300884149.db2.gz JSNSGFDAYIANKF-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001228366097 1302226382 /nfs/dbraw/zinc/22/63/82/1302226382.db2.gz MRQBHOKECWFJNA-RTBURBONSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229463158 1302794496 /nfs/dbraw/zinc/79/44/96/1302794496.db2.gz ZMNYNYBCWBGULC-GOSISDBHSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCc2sccc2C1 ZINC001230242649 1303124825 /nfs/dbraw/zinc/12/48/25/1303124825.db2.gz FBIMJYMFWVOPAE-IAGOWNOFSA-N 2 0 345.512 2.147 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230597992 1303304873 /nfs/dbraw/zinc/30/48/73/1303304873.db2.gz BUULNFPRFCLMLI-RBUKOAKNSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001112209777 1304336861 /nfs/dbraw/zinc/33/68/61/1304336861.db2.gz HWDZMQSPURBIJT-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP C=CCCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001277789089 1304504462 /nfs/dbraw/zinc/50/44/62/1304504462.db2.gz QNDMRLGKZJODTO-QGZVFWFLSA-N 2 0 345.491 2.061 20 30 EEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CNC(C)(C)O1)[C@@H]2CC ZINC001235524711 1305265724 /nfs/dbraw/zinc/26/57/24/1305265724.db2.gz DSRVUWLWDKKXIF-FCEWJHQRSA-N 2 0 335.492 2.133 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001277981607 1305561552 /nfs/dbraw/zinc/56/15/52/1305561552.db2.gz NSKXWZRAWPEFAD-WOJBJXKFSA-N 2 0 341.499 2.205 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891216 1316080230 /nfs/dbraw/zinc/08/02/30/1316080230.db2.gz XKBSIDBGVQMSBE-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCOC[C@@H](O)C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001252471062 1317610973 /nfs/dbraw/zinc/61/09/73/1317610973.db2.gz SXZPNTDEXKECKZ-QGLKVJOYSA-N 2 0 346.515 2.445 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374136 1317983635 /nfs/dbraw/zinc/98/36/35/1317983635.db2.gz KFGMGEIZKLXXHX-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCOCc1ncn2c1C[N@@H+](C1CCC(C#N)CC1)CCC2 ZINC001256968765 1318907519 /nfs/dbraw/zinc/90/75/19/1318907519.db2.gz MGKSUUGUWYKJSP-UHFFFAOYSA-N 2 0 345.491 2.249 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001257912912 1319105586 /nfs/dbraw/zinc/10/55/86/1319105586.db2.gz VTPWRPQLZVLSBW-UHFFFAOYSA-N 2 0 333.520 2.237 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001158914012 1319504662 /nfs/dbraw/zinc/50/46/62/1319504662.db2.gz JKEBKHFMJXVCJC-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP N#Cc1cc(Nc2ccccc2CN2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001160297487 1320126632 /nfs/dbraw/zinc/12/66/32/1320126632.db2.gz ZHZSXIOWEYBRTH-UHFFFAOYSA-N 2 0 347.466 2.394 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001160833849 1320284156 /nfs/dbraw/zinc/28/41/56/1320284156.db2.gz AORBGMBRYFYZNP-UHFFFAOYSA-N 2 0 340.471 2.030 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001160870469 1320298839 /nfs/dbraw/zinc/29/88/39/1320298839.db2.gz YAUOPFQOIJIDSF-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001160882962 1320304025 /nfs/dbraw/zinc/30/40/25/1320304025.db2.gz CLCYEJYUFLDOKS-QGZVFWFLSA-N 2 0 335.879 2.128 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001162746968 1320948586 /nfs/dbraw/zinc/94/85/86/1320948586.db2.gz KMZYUJQWRVFMCM-SFHVURJKSA-N 2 0 349.906 2.494 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001162928683 1320990265 /nfs/dbraw/zinc/99/02/65/1320990265.db2.gz NFFAJCVOSRFEFM-GOSISDBHSA-N 2 0 329.488 2.318 20 30 EEEDRP COc1cccc([C@@H](C[NH3+])Nc2ncc3c(c2C#N)CCC[NH2+]C3)c1 ZINC001163302968 1321091264 /nfs/dbraw/zinc/09/12/64/1321091264.db2.gz FAVXHPZXSCRGQG-GOSISDBHSA-N 2 0 337.427 2.110 20 30 EEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001166115887 1321656579 /nfs/dbraw/zinc/65/65/79/1321656579.db2.gz APBGDBAEWZEGAD-UHFFFAOYSA-N 2 0 339.443 2.333 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCc3nc[nH]c32)s1 ZINC001166408515 1321713786 /nfs/dbraw/zinc/71/37/86/1321713786.db2.gz VVSHWNQQAFCUAS-CQSZACIVSA-N 2 0 343.456 2.059 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C12CCC2 ZINC001203359951 1321869335 /nfs/dbraw/zinc/86/93/35/1321869335.db2.gz VPCZNMPHXYKCMF-MSOLQXFVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557775 1321911996 /nfs/dbraw/zinc/91/19/96/1321911996.db2.gz PKCVARZSWREKTA-MSOLQXFVSA-N 2 0 349.519 2.080 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCO2)cc1C#N ZINC001276431066 1321998553 /nfs/dbraw/zinc/99/85/53/1321998553.db2.gz AQVDEVLDQNEICJ-PHSGOXPASA-N 2 0 328.460 2.161 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001263094598 1322432598 /nfs/dbraw/zinc/43/25/98/1322432598.db2.gz LVKWXYREWYUYGH-LJQANCHMSA-N 2 0 329.488 2.493 20 30 EEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415582 1323121304 /nfs/dbraw/zinc/12/13/04/1323121304.db2.gz BUBRABHKCNTASL-QGZVFWFLSA-N 2 0 327.488 2.461 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206948957 1323734855 /nfs/dbraw/zinc/73/48/55/1323734855.db2.gz KFEIWVGPPCPCCS-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952536 1323738601 /nfs/dbraw/zinc/73/86/01/1323738601.db2.gz SYEDGWKVZGUNOG-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001210750816 1325414276 /nfs/dbraw/zinc/41/42/76/1325414276.db2.gz MCEAQCGACODFRI-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[N@@H+](CCC(=O)N1CCN(C)CC1)[C@H]1CCCc2ccccc21 ZINC001308105129 1331563126 /nfs/dbraw/zinc/56/31/26/1331563126.db2.gz XBKQMQLNMMLYDW-FQEVSTJZSA-N 2 0 339.483 2.163 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001574925292 1343712519 /nfs/dbraw/zinc/71/25/19/1343712519.db2.gz MKKXGOQULPYGOJ-IKGGRYGDSA-N 2 0 346.523 2.445 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523206 1367754367 /nfs/dbraw/zinc/75/43/67/1367754367.db2.gz YZTAUPCMGJSPGK-APWZRJJASA-N 2 0 342.487 2.368 20 30 EEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959114 1367963700 /nfs/dbraw/zinc/96/37/00/1367963700.db2.gz LFJVZVJZHRLAFR-CABCVRRESA-N 2 0 327.432 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC=C(C)C)C2)CC1 ZINC001072096340 1370605545 /nfs/dbraw/zinc/60/55/45/1370605545.db2.gz XTFUEZTUQOWHOW-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001378611877 1380104473 /nfs/dbraw/zinc/10/44/73/1380104473.db2.gz KBQVJDWQUVBCLF-RDTXWAMCSA-N 2 0 348.466 2.125 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001378895440 1380245053 /nfs/dbraw/zinc/24/50/53/1380245053.db2.gz IQFMQORTNSHKPP-GXTWGEPZSA-N 2 0 346.313 2.063 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CCC(=C)C)C2)CC1 ZINC001752526176 1406318006 /nfs/dbraw/zinc/31/80/06/1406318006.db2.gz QTBBIMWIUPUEAC-LJQANCHMSA-N 2 0 345.531 2.468 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C1CC1)[NH+](C)C ZINC001392804436 1390203207 /nfs/dbraw/zinc/20/32/07/1390203207.db2.gz UTONGKAGKLVGLI-ROUUACIJSA-N 2 0 346.450 2.022 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001393544860 1390466301 /nfs/dbraw/zinc/46/63/01/1390466301.db2.gz GYSDHUVLAKQNPJ-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001394709592 1390743327 /nfs/dbraw/zinc/74/33/27/1390743327.db2.gz STQQDHMJQATTSW-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CC1)[NH+](C)C ZINC001398453863 1392776457 /nfs/dbraw/zinc/77/64/57/1392776457.db2.gz NUWZGZMYTQBWCR-MSOLQXFVSA-N 2 0 346.450 2.022 20 30 EEEDRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399430088 1395081563 /nfs/dbraw/zinc/08/15/63/1395081563.db2.gz JRUGRTGBDTXIRV-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C[NH+](C)C1(C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCC2)CCC1 ZINC001402561811 1398059972 /nfs/dbraw/zinc/05/99/72/1398059972.db2.gz RUIZNWCLAWSKHT-UHFFFAOYSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001754657004 1406939250 /nfs/dbraw/zinc/93/92/50/1406939250.db2.gz XUOINXFPVGSXAE-MOPGFXCFSA-N 2 0 333.520 2.395 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001755002655 1407022539 /nfs/dbraw/zinc/02/25/39/1407022539.db2.gz WCZNCIRMSYFBJF-IEBWSBKVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001403271228 1399720975 /nfs/dbraw/zinc/72/09/75/1399720975.db2.gz WBAPPTGPAJWHLL-MRXNPFEDSA-N 2 0 327.900 2.443 20 30 EEEDRP C#CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574515924 1403521449 /nfs/dbraw/zinc/52/14/49/1403521449.db2.gz BEPVZAPHFITKDK-WIYYLYMNSA-N 2 0 339.483 2.255 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[C@H]([NH2+]CC(=C)C)C(C)C)CC1 ZINC001755342910 1407342447 /nfs/dbraw/zinc/34/24/47/1407342447.db2.gz MXSKYJWMGGAZNW-IBGZPJMESA-N 2 0 333.520 2.370 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000303888930 1409792555 /nfs/dbraw/zinc/79/25/55/1409792555.db2.gz LRRWFQDXQJXDPL-UHFFFAOYSA-N 2 0 338.459 2.069 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100406031 1410650881 /nfs/dbraw/zinc/65/08/81/1410650881.db2.gz YJAGZLBJQZGMIG-FAFZWHIHSA-N 2 0 349.519 2.080 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100676897 1410693739 /nfs/dbraw/zinc/69/37/39/1410693739.db2.gz UQVOYPSUBDYELV-VNCLNFNDSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100676983 1410693893 /nfs/dbraw/zinc/69/38/93/1410693893.db2.gz VLPGSHCMCNUHKN-MDCZIUGASA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179539 757462034 /nfs/dbraw/zinc/46/20/34/757462034.db2.gz MUEZURAFSVGQQJ-KRWDZBQOSA-N 2 0 339.524 2.186 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001075390936 757892797 /nfs/dbraw/zinc/89/27/97/757892797.db2.gz RAZPJPNDXHZZPS-IEBWSBKVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461600 760934074 /nfs/dbraw/zinc/93/40/74/760934074.db2.gz MBAVQPIOLIYSLR-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104639054 764623599 /nfs/dbraw/zinc/62/35/99/764623599.db2.gz JIZLVEFRMIDHMN-FVQBIDKESA-N 2 0 329.916 2.399 20 30 EEEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733223 765335677 /nfs/dbraw/zinc/33/56/77/765335677.db2.gz WLVXVNSNOGHTLY-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001104896512 765524411 /nfs/dbraw/zinc/52/44/11/765524411.db2.gz CBVPUSRANXFHNP-MISYRCLQSA-N 2 0 341.499 2.387 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203228341 770753823 /nfs/dbraw/zinc/75/38/23/770753823.db2.gz AJLOOENNNYYKLX-SJORKVTESA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166425 783011431 /nfs/dbraw/zinc/01/14/31/783011431.db2.gz AMKQYTFZBOZAEN-AABGKKOBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718972 783049595 /nfs/dbraw/zinc/04/95/95/783049595.db2.gz FAFUXWWZMWPQRW-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942721460 783053044 /nfs/dbraw/zinc/05/30/44/783053044.db2.gz LFFIRYOFIDWBEL-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083028 773839196 /nfs/dbraw/zinc/83/91/96/773839196.db2.gz GWOJLFWAXUZKIM-GVDBMIGSSA-N 2 0 336.439 2.106 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154199 773965830 /nfs/dbraw/zinc/96/58/30/773965830.db2.gz HBSAVCOABHIVGE-CGTJXYLNSA-N 2 0 343.471 2.195 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216944 774128202 /nfs/dbraw/zinc/12/82/02/774128202.db2.gz SMISBXCXHQJBCP-OKZBNKHCSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779245 783186878 /nfs/dbraw/zinc/18/68/78/783186878.db2.gz LHFUAAQVEZEFHM-OIISXLGYSA-N 2 0 339.911 2.251 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC=C)CC1 ZINC001089736499 774820731 /nfs/dbraw/zinc/82/07/31/774820731.db2.gz XOUGXAALMMOKOK-SFHVURJKSA-N 2 0 331.504 2.124 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167815320 774989871 /nfs/dbraw/zinc/98/98/71/774989871.db2.gz QZSNTYDLGBAIGM-UHFFFAOYSA-N 2 0 346.313 2.113 20 30 EEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2cc(CN(C)C)on2)CC1 ZINC000997653893 790551783 /nfs/dbraw/zinc/55/17/83/790551783.db2.gz UIJQURUGBIMCBD-AWEZNQCLSA-N 2 0 334.464 2.143 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767727 778165035 /nfs/dbraw/zinc/16/50/35/778165035.db2.gz UUVJFHFKCDUWJO-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914427 778544986 /nfs/dbraw/zinc/54/49/86/778544986.db2.gz KQPMUBARLCEMQJ-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914944 778545419 /nfs/dbraw/zinc/54/54/19/778545419.db2.gz URSSONKEERMWHZ-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107363 779115580 /nfs/dbraw/zinc/11/55/80/779115580.db2.gz ICTNRKJEHGSCEA-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C[C@H](C)CC)C3)CC1 ZINC000982162586 779182355 /nfs/dbraw/zinc/18/23/55/779182355.db2.gz VQQLLANEUUCIJJ-GOSISDBHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001088862795 790923139 /nfs/dbraw/zinc/92/31/39/790923139.db2.gz UQSOIJBPFUQXTM-WBVHZDCISA-N 2 0 346.475 2.429 20 30 EEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001088326768 783514307 /nfs/dbraw/zinc/51/43/07/783514307.db2.gz XNTKZOBFWAATJS-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135370823 783659325 /nfs/dbraw/zinc/65/93/25/783659325.db2.gz BDXNBCMGAXEWGG-KGLIPLIRSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccsc2)CC1 ZINC001035130966 783859996 /nfs/dbraw/zinc/85/99/96/783859996.db2.gz AHDRCEYYDGDQJJ-GOSISDBHSA-N 2 0 345.512 2.174 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197794 784033052 /nfs/dbraw/zinc/03/30/52/784033052.db2.gz UVIUWOSDEVIGEF-OAHLLOKOSA-N 2 0 327.900 2.394 20 30 EEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035219719 784094810 /nfs/dbraw/zinc/09/48/10/784094810.db2.gz AWXVZNCBNRBBFE-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857553 784638964 /nfs/dbraw/zinc/63/89/64/784638964.db2.gz KDKUSODTAOXZON-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035721709 785017696 /nfs/dbraw/zinc/01/76/96/785017696.db2.gz YVUZSRKWJZRXLT-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000996710695 787225683 /nfs/dbraw/zinc/22/56/83/787225683.db2.gz DTVRUUDHZIECCF-MRXNPFEDSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N(CC[NH3+])CC(=O)OCC)cc1 ZINC001170996378 787389605 /nfs/dbraw/zinc/38/96/05/787389605.db2.gz PFFHLBOOCMLDTM-SFHVURJKSA-N 2 0 331.460 2.338 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598751 787842411 /nfs/dbraw/zinc/84/24/11/787842411.db2.gz VMBAZFXJXVSTPB-NVXWUHKLSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171120635 789039780 /nfs/dbraw/zinc/03/97/80/789039780.db2.gz OPSJDIGJNYBNKU-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001105714195 789147671 /nfs/dbraw/zinc/14/76/71/789147671.db2.gz OGLMETBCLKJZEC-IBGZPJMESA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997185154 789377978 /nfs/dbraw/zinc/37/79/78/789377978.db2.gz QRLDMBKOJZUVHZ-HOCLYGCPSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000997217224 789431436 /nfs/dbraw/zinc/43/14/36/789431436.db2.gz BYCZZMZNTMRMOA-OAHLLOKOSA-N 2 0 339.443 2.284 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358931 789434576 /nfs/dbraw/zinc/43/45/76/789434576.db2.gz MXXLHDRIILIUMT-GBESFXJTSA-N 2 0 343.471 2.010 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001171159997 789559096 /nfs/dbraw/zinc/55/90/96/789559096.db2.gz CFVYMKVOQJAGSM-LSDHHAIUSA-N 2 0 348.516 2.336 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001171162427 789578948 /nfs/dbraw/zinc/57/89/48/789578948.db2.gz YEOXHTNTFKWHAV-WOJBJXKFSA-N 2 0 341.499 2.254 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592996 791362363 /nfs/dbraw/zinc/36/23/63/791362363.db2.gz LPYPIMSQGRRZGY-GJZGRUSLSA-N 2 0 348.466 2.410 20 30 EEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829254 791985711 /nfs/dbraw/zinc/98/57/11/791985711.db2.gz GTWVUSQOARUIIW-UHFFFAOYSA-N 2 0 342.487 2.408 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998312432 792549021 /nfs/dbraw/zinc/54/90/21/792549021.db2.gz JVHJHFNPMLVFRY-KGLIPLIRSA-N 2 0 333.398 2.027 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186617 793123563 /nfs/dbraw/zinc/12/35/63/793123563.db2.gz GOWYRWMVPDAKLZ-PWIZWCRZSA-N 2 0 349.494 2.335 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676485 794223570 /nfs/dbraw/zinc/22/35/70/794223570.db2.gz AHLTWJLRPUJKGT-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828048 794388753 /nfs/dbraw/zinc/38/87/53/794388753.db2.gz DNOZMBDHNRJCPR-IUODEOHRSA-N 2 0 332.835 2.385 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(C)C)CC3)CC1 ZINC000992502084 794435017 /nfs/dbraw/zinc/43/50/17/794435017.db2.gz AKHOBSDBLZAHHK-AZUAARDMSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC000992510050 794454016 /nfs/dbraw/zinc/45/40/16/794454016.db2.gz OJENNPQOPALIDL-AZUAARDMSA-N 2 0 329.488 2.021 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC001127322865 795405494 /nfs/dbraw/zinc/40/54/94/795405494.db2.gz ZAJGTMLHZBALET-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841659 795423150 /nfs/dbraw/zinc/42/31/50/795423150.db2.gz BIHQQERADVXJNG-PMACEKPBSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2C)CC1 ZINC001080997635 796548487 /nfs/dbraw/zinc/54/84/87/796548487.db2.gz HQAAZIWUUSGYIU-CRAIPNDOSA-N 2 0 345.512 2.030 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112397116 796573483 /nfs/dbraw/zinc/57/34/83/796573483.db2.gz SYLCYSAHDLAOJR-BJLQDIEVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1ccccc1 ZINC001081231838 796702218 /nfs/dbraw/zinc/70/22/18/796702218.db2.gz QOXQCXRHRUTUQM-XUVXKRRUSA-N 2 0 339.483 2.078 20 30 EEEDRP C=C(Cl)CN1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001760630 797179175 /nfs/dbraw/zinc/17/91/75/797179175.db2.gz MUIWNGMMJZBYRN-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201176 797401703 /nfs/dbraw/zinc/40/17/03/797401703.db2.gz IAQOWGAPSPMFJZ-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001175324979 798076564 /nfs/dbraw/zinc/07/65/64/798076564.db2.gz FZXBXJGPSFBMHI-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994490632 798083795 /nfs/dbraw/zinc/08/37/95/798083795.db2.gz WCZVMRWUMGUWSK-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175939691 798278298 /nfs/dbraw/zinc/27/82/98/798278298.db2.gz QLPCGCOUUAVNBU-HNNXBMFYSA-N 2 0 345.915 2.114 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084767343 798442373 /nfs/dbraw/zinc/44/23/73/798442373.db2.gz QMKJOIWKSBTNLE-RTBURBONSA-N 2 0 331.504 2.217 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563768 798497594 /nfs/dbraw/zinc/49/75/94/798497594.db2.gz HEDSNTIIGOZARL-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565134 798499261 /nfs/dbraw/zinc/49/92/61/798499261.db2.gz STYRXORLDNLFDS-UYAOXDASSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957791 798577050 /nfs/dbraw/zinc/57/70/50/798577050.db2.gz XKUIADZORLNHRA-QRVBRYPASA-N 2 0 333.520 2.463 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C12CCC2 ZINC001203356802 799484188 /nfs/dbraw/zinc/48/41/88/799484188.db2.gz BRQUYLWWYLSIGV-HOTGVXAUSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085224860 800257281 /nfs/dbraw/zinc/25/72/81/800257281.db2.gz YNZBIIAEDWIHAX-QRVBRYPASA-N 2 0 349.519 2.223 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CCC ZINC001180117974 800276770 /nfs/dbraw/zinc/27/67/70/800276770.db2.gz PPOPXEDGXDONHW-UHFFFAOYSA-N 2 0 327.513 2.187 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001085373706 800422500 /nfs/dbraw/zinc/42/25/00/800422500.db2.gz FHVNGUSOOCDTLV-HZPDHXFCSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346477 801129473 /nfs/dbraw/zinc/12/94/73/801129473.db2.gz RJABELBMICVLJI-QWFCFKBJSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001182897175 801391831 /nfs/dbraw/zinc/39/18/31/801391831.db2.gz OWYTXEQPSNQCMW-DYESRHJHSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184882866 802223730 /nfs/dbraw/zinc/22/37/30/802223730.db2.gz OOZDACIQPJJPBU-MSOLQXFVSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549151 802350154 /nfs/dbraw/zinc/35/01/54/802350154.db2.gz UVOQQEYRXKNFDG-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638611 802530143 /nfs/dbraw/zinc/53/01/43/802530143.db2.gz UDHNGUVBEQNPMO-KDURUIRLSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497465 803129042 /nfs/dbraw/zinc/12/90/42/803129042.db2.gz NDTIMGULEJYQAL-BZUAXINKSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086522712 803244045 /nfs/dbraw/zinc/24/40/45/803244045.db2.gz GFJBJKWIQOYEQM-KOMQPUFPSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108420885 803512850 /nfs/dbraw/zinc/51/28/50/803512850.db2.gz AYZZZRAXSYMPIG-LJQANCHMSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108696419 804373740 /nfs/dbraw/zinc/37/37/40/804373740.db2.gz BASWWIRHFHITNS-XIRDDKMYSA-N 2 0 345.512 2.416 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086589242 808837865 /nfs/dbraw/zinc/83/78/65/808837865.db2.gz OSAOOOGGUXVPGT-RSPOEFSDSA-N 2 0 341.499 2.487 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086624153 810935490 /nfs/dbraw/zinc/93/54/90/810935490.db2.gz PYVAGUQZIAWBMZ-SLFFLAALSA-N 2 0 341.499 2.489 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001130418999 811641625 /nfs/dbraw/zinc/64/16/25/811641625.db2.gz GUGNQXXIDHLPOX-UHFFFAOYSA-N 2 0 335.879 2.128 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001436695738 1088158594 /nfs/dbraw/zinc/15/85/94/1088158594.db2.gz VJMCHRPMVVITID-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553371 1091045370 /nfs/dbraw/zinc/04/53/70/1091045370.db2.gz QGNIMJWUXVEXFR-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001440131799 1093197598 /nfs/dbraw/zinc/19/75/98/1093197598.db2.gz ZMOBQCIPUCJYQW-UONOGXRCSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001448986904 1093989218 /nfs/dbraw/zinc/98/92/18/1093989218.db2.gz XFAGSTGEXYHLFQ-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001442168783 1096431221 /nfs/dbraw/zinc/43/12/21/1096431221.db2.gz JSWONIZQDRSCJQ-QWHCGFSZSA-N 2 0 348.329 2.356 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001448095011 1103990944 /nfs/dbraw/zinc/99/09/44/1103990944.db2.gz KXIKEFPWKSCEAN-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480699310 1106907536 /nfs/dbraw/zinc/90/75/36/1106907536.db2.gz TWZLKYSQTDXEGM-CABCVRRESA-N 2 0 348.516 2.479 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001507328499 1115195212 /nfs/dbraw/zinc/19/52/12/1115195212.db2.gz PHHHMHAJKTVHTA-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000264933539 533072447 /nfs/dbraw/zinc/07/24/47/533072447.db2.gz BWWRERFCBGPDBL-LJQANCHMSA-N 2 0 330.472 2.415 20 30 EEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000247974899 160335340 /nfs/dbraw/zinc/33/53/40/160335340.db2.gz KNQLAMGSIFHCDI-FUHWJXTLSA-N 2 0 326.444 2.303 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000355408880 163179170 /nfs/dbraw/zinc/17/91/70/163179170.db2.gz KTSHNGVIGJNHTO-IAGOWNOFSA-N 2 0 342.487 2.321 20 30 EEEDRP Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000364643570 165217740 /nfs/dbraw/zinc/21/77/40/165217740.db2.gz GMRUNLRUALPUIS-CYBMUJFWSA-N 2 0 333.867 2.496 20 30 EEEDRP C=CCN1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865079 276895028 /nfs/dbraw/zinc/89/50/28/276895028.db2.gz XBCMFRZAFFQGAO-UYAOXDASSA-N 2 0 327.472 2.482 20 30 EEEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000575869035 320121238 /nfs/dbraw/zinc/12/12/38/320121238.db2.gz VMLXUNAUAWKMPC-UHFFFAOYSA-N 2 0 340.475 2.449 20 30 EEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029163 320134462 /nfs/dbraw/zinc/13/44/62/320134462.db2.gz UWWZBAMZCIGQNW-PKOBYXMFSA-N 2 0 345.487 2.400 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000080373774 463312461 /nfs/dbraw/zinc/31/24/61/463312461.db2.gz JHVJIRXPIXXYFD-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000491749734 468363738 /nfs/dbraw/zinc/36/37/38/468363738.db2.gz UBIJTYWISANOPY-UHFFFAOYSA-N 2 0 342.487 2.037 20 30 EEEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264131941 464286255 /nfs/dbraw/zinc/28/62/55/464286255.db2.gz YFGKPWCABXRZFC-MRXNPFEDSA-N 2 0 343.519 2.176 20 30 EEEDRP CC[NH+]=C(NCc1ccc([C@@H](C)O)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175956377 464668232 /nfs/dbraw/zinc/66/82/32/464668232.db2.gz VIHGSOWRZFOCBJ-APWZRJJASA-N 2 0 342.487 2.152 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000274876696 464758669 /nfs/dbraw/zinc/75/86/69/464758669.db2.gz YQRSTVHDNKPLFO-HKUYNNGSSA-N 2 0 342.487 2.249 20 30 EEEDRP CCN(CC)C(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000267395242 464929873 /nfs/dbraw/zinc/92/98/73/464929873.db2.gz DXNNSYATXQLTPY-UHFFFAOYSA-N 2 0 335.471 2.124 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(F)(F)F)cs1 ZINC000267391217 464930536 /nfs/dbraw/zinc/93/05/36/464930536.db2.gz CVONZUXVLAWVTB-SECBINFHSA-N 2 0 335.399 2.051 20 30 EEEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1OC ZINC000268112526 464951753 /nfs/dbraw/zinc/95/17/53/464951753.db2.gz ZNYLRJVKQBZUIM-AWEZNQCLSA-N 2 0 334.464 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177258518 464970684 /nfs/dbraw/zinc/97/06/84/464970684.db2.gz AZYSWIWEIWOYKP-UHFFFAOYSA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000330174455 465558328 /nfs/dbraw/zinc/55/83/28/465558328.db2.gz IELBJABTJCYXFC-HUUCEWRRSA-N 2 0 333.480 2.212 20 30 EEEDRP C=CCNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371354101 465738073 /nfs/dbraw/zinc/73/80/73/465738073.db2.gz KVVCTZPZDLCJRQ-UHFFFAOYSA-N 2 0 327.472 2.277 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000591570810 468484816 /nfs/dbraw/zinc/48/48/16/468484816.db2.gz QYCOEZJXCQEDDR-GUDVDZBRSA-N 2 0 339.487 2.432 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417061808 466768444 /nfs/dbraw/zinc/76/84/44/466768444.db2.gz LNMBQLIUUBTAQM-IEBWSBKVSA-N 2 0 334.508 2.080 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000417069462 466770488 /nfs/dbraw/zinc/77/04/88/466770488.db2.gz UFTUGDKBLUDEIW-FGTMMUONSA-N 2 0 334.508 2.221 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000417069464 466770603 /nfs/dbraw/zinc/77/06/03/466770603.db2.gz UFTUGDKBLUDEIW-SQNIBIBYSA-N 2 0 334.508 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000490593941 468223402 /nfs/dbraw/zinc/22/34/02/468223402.db2.gz HAFZDCZDEQJWCF-UHFFFAOYSA-N 2 0 329.444 2.041 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000598729002 468976619 /nfs/dbraw/zinc/97/66/19/468976619.db2.gz GTAULBQIBSBPMA-MOPGFXCFSA-N 2 0 345.487 2.034 20 30 EEEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000564859668 469261101 /nfs/dbraw/zinc/26/11/01/469261101.db2.gz YOWQHRODPHQBPV-LJQANCHMSA-N 2 0 343.471 2.099 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000733324648 577222710 /nfs/dbraw/zinc/22/27/10/577222710.db2.gz PYLVXAQMRPBGRL-SFHVURJKSA-N 2 0 329.488 2.204 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC000970789403 676152791 /nfs/dbraw/zinc/15/27/91/676152791.db2.gz ZZUMSOCUQFXZQI-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC000970792275 676154272 /nfs/dbraw/zinc/15/42/72/676154272.db2.gz HRXYBZKOMIXANI-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001020595391 675226642 /nfs/dbraw/zinc/22/66/42/675226642.db2.gz NRKMYTNVKAGSOS-QAQDUYKDSA-N 2 0 335.879 2.394 20 30 EEEDRP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686666 676740423 /nfs/dbraw/zinc/74/04/23/676740423.db2.gz DGYDDYBADQRWNS-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001023128167 679136174 /nfs/dbraw/zinc/13/61/74/679136174.db2.gz SFGUOJKCKVKABD-BGYRXZFFSA-N 2 0 343.515 2.459 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023695676 679486356 /nfs/dbraw/zinc/48/63/56/679486356.db2.gz FBORZTMHSMJBMJ-RBUKOAKNSA-N 2 0 333.520 2.493 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(NC2CC[NH+](C3CC3)CC2)=[NH+]C)C12CCC2 ZINC000262431937 679536895 /nfs/dbraw/zinc/53/68/95/679536895.db2.gz SOWWOASATBBOFA-DLBZAZTESA-N 2 0 334.508 2.126 20 30 EEEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000263188928 679567632 /nfs/dbraw/zinc/56/76/32/679567632.db2.gz VGWPOGGSHFRLMA-UHFFFAOYSA-N 2 0 332.448 2.449 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982635021 681919954 /nfs/dbraw/zinc/91/99/54/681919954.db2.gz VDKNPYYKYWYCPM-ZYSHUDEJSA-N 2 0 330.476 2.335 20 30 EEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818181 682282585 /nfs/dbraw/zinc/28/25/85/682282585.db2.gz LXYFIPUBPFGRJJ-RLLQIKCJSA-N 2 0 341.499 2.346 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246773 682315720 /nfs/dbraw/zinc/31/57/20/682315720.db2.gz ZGYDWSWLIJZADR-MSOLQXFVSA-N 2 0 346.475 2.381 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492779 682918632 /nfs/dbraw/zinc/91/86/32/682918632.db2.gz FBWOZNLWVOUUCV-MJGOQNOKSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001025631226 683169762 /nfs/dbraw/zinc/16/97/62/683169762.db2.gz YRACNXQNPWSHBA-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC000992703029 683281027 /nfs/dbraw/zinc/28/10/27/683281027.db2.gz OMZGKNYSPYTWGS-USXIJHARSA-N 2 0 345.512 2.273 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC000992740447 683334879 /nfs/dbraw/zinc/33/48/79/683334879.db2.gz MRWKTGWOOADKPS-ATZDWAIDSA-N 2 0 336.439 2.106 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC000992865833 683602329 /nfs/dbraw/zinc/60/23/29/683602329.db2.gz ZRRJSCIAMGUEKN-VAMGGRTRSA-N 2 0 339.483 2.212 20 30 EEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001026583327 684760076 /nfs/dbraw/zinc/76/00/76/684760076.db2.gz QRMQWLPRKQYQRN-UHFFFAOYSA-N 2 0 339.443 2.474 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511701 684805477 /nfs/dbraw/zinc/80/54/77/684805477.db2.gz YCGRWBWOTXBHOL-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3)C2)CC1 ZINC000985155287 685990812 /nfs/dbraw/zinc/99/08/12/685990812.db2.gz ULHZETYLNPBDQU-KESTWPANSA-N 2 0 339.483 2.016 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)CC1 ZINC001027694203 694002370 /nfs/dbraw/zinc/00/23/70/694002370.db2.gz UMOUXKHAJNHKOL-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001029596448 686466152 /nfs/dbraw/zinc/46/61/52/686466152.db2.gz LIKBOCXUNIWRKC-KDURUIRLSA-N 2 0 345.531 2.443 20 30 EEEDRP CCc1cnc(CNC(=[NH+]C)N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000262815058 688537595 /nfs/dbraw/zinc/53/75/95/688537595.db2.gz VIUKNNTWKPMZBR-AWEZNQCLSA-N 2 0 335.521 2.341 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027463648 692211955 /nfs/dbraw/zinc/21/19/55/692211955.db2.gz GENMLEAWKUFCSE-RTBURBONSA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001421764979 1181490476 /nfs/dbraw/zinc/49/04/76/1181490476.db2.gz CYLGLDHQYCGITP-OCCSQVGLSA-N 2 0 346.313 2.111 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212288 1187084920 /nfs/dbraw/zinc/08/49/20/1187084920.db2.gz XUVHGZGEEIKBMK-ZIAGYGMSSA-N 2 0 335.414 2.272 20 30 EEEDRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001485882002 1193628294 /nfs/dbraw/zinc/62/82/94/1193628294.db2.gz NHHYOWCUPCLIFZ-ZDUSSCGKSA-N 2 0 334.489 2.041 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991068781 1189834627 /nfs/dbraw/zinc/83/46/27/1189834627.db2.gz PQQCTWQQCAGIKV-NLWGTHIKSA-N 2 0 331.504 2.386 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484123511 1191223065 /nfs/dbraw/zinc/22/30/65/1191223065.db2.gz AXDVVKIARCSSEL-QGZVFWFLSA-N 2 0 327.900 2.443 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001484983339 1191601336 /nfs/dbraw/zinc/60/13/36/1191601336.db2.gz WCCCPWDCDAHTBO-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485264688 1191710458 /nfs/dbraw/zinc/71/04/58/1191710458.db2.gz JIAZAVDHIDAMAC-GOSISDBHSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033836880 1195353751 /nfs/dbraw/zinc/35/37/51/1195353751.db2.gz FKYPSGJVQSMMCC-OWCLPIDISA-N 2 0 327.900 2.392 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898743 1195467036 /nfs/dbraw/zinc/46/70/36/1195467036.db2.gz YVXOUEOAJKBWOB-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304849 1196072799 /nfs/dbraw/zinc/07/27/99/1196072799.db2.gz YURXJBDHPREHQH-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034715187 1196604459 /nfs/dbraw/zinc/60/44/59/1196604459.db2.gz JQFGYCRGLVEDCX-ZHALLVOQSA-N 2 0 331.504 2.434 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001034963676 1196944756 /nfs/dbraw/zinc/94/47/56/1196944756.db2.gz ZZXXIAFBVPXCOV-MOPGFXCFSA-N 2 0 343.446 2.004 20 30 EEEDRP CC[NH+]1CCC(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273143579 1197004913 /nfs/dbraw/zinc/00/49/13/1197004913.db2.gz IUFQXEFILCBOGG-UHFFFAOYSA-N 2 0 346.519 2.337 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309970 1199560384 /nfs/dbraw/zinc/56/03/84/1199560384.db2.gz HIWHEVGOIWDEPE-IRXDYDNUSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001114445603 1200072647 /nfs/dbraw/zinc/07/26/47/1200072647.db2.gz UAQHOYDROKJQQB-XDNAFOTISA-N 2 0 330.476 2.483 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064696 1200386663 /nfs/dbraw/zinc/38/66/63/1200386663.db2.gz OZDOXZMFJUMDHL-DOTOQJQBSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213726 1200600958 /nfs/dbraw/zinc/60/09/58/1200600958.db2.gz RSBHKUVOZVMOEK-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001006409043 1202525319 /nfs/dbraw/zinc/52/53/19/1202525319.db2.gz ZJWATVVAUZDVJN-UHFFFAOYSA-N 2 0 340.471 2.077 20 30 EEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000104169850 1204611635 /nfs/dbraw/zinc/61/16/35/1204611635.db2.gz IKUDYIKEDHJWFB-KRWDZBQOSA-N 2 0 325.545 2.133 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)[C@@H]2C1 ZINC001275949207 1205599315 /nfs/dbraw/zinc/59/93/15/1205599315.db2.gz BWVKDRSKYNTUMN-OXJNMPFZSA-N 2 0 337.471 2.107 20 30 EEEDRP C#Cc1cccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001276096383 1205779710 /nfs/dbraw/zinc/77/97/10/1205779710.db2.gz IYVCYJJTXXNFPC-UHFFFAOYSA-N 2 0 334.467 2.462 20 30 EEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095810261 1210389470 /nfs/dbraw/zinc/38/94/70/1210389470.db2.gz ORAUZNKYQBLBFB-NEWSRXKRSA-N 2 0 327.472 2.312 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303718910 1213892353 /nfs/dbraw/zinc/89/23/53/1213892353.db2.gz VLQAEHDUJWSMLU-KRWDZBQOSA-N 2 0 349.910 2.261 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COCc1ccccc1 ZINC000303876273 1213917251 /nfs/dbraw/zinc/91/72/51/1213917251.db2.gz IBFWFPXRWLEZTC-AEFFLSMTSA-N 2 0 332.492 2.228 20 30 EEEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000303890937 1213921607 /nfs/dbraw/zinc/92/16/07/1213921607.db2.gz QIFAPEFIGBZUFS-INIZCTEOSA-N 2 0 331.508 2.249 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957561032 1215212109 /nfs/dbraw/zinc/21/21/09/1215212109.db2.gz DPKMTJAQZRDKMD-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC000957768082 1215415311 /nfs/dbraw/zinc/41/53/11/1215415311.db2.gz RXURMXNRIALVNE-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432785 1217188029 /nfs/dbraw/zinc/18/80/29/1217188029.db2.gz SHKOFLWEPKPNTB-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393952 1217591617 /nfs/dbraw/zinc/59/16/17/1217591617.db2.gz ZXPHRRGECBGHAI-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1CC ZINC001037930874 1220428124 /nfs/dbraw/zinc/42/81/24/1220428124.db2.gz ZUUBHCRWFBYBBM-AZUAARDMSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613431 1222960577 /nfs/dbraw/zinc/96/05/77/1222960577.db2.gz XVHQJJIDPIJFDN-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016908388 1226962472 /nfs/dbraw/zinc/96/24/72/1226962472.db2.gz YNOCPXMQBFFLAO-GOSISDBHSA-N 2 0 331.504 2.101 20 30 EEEDRP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+]1CCCC1 ZINC001019229829 1228898104 /nfs/dbraw/zinc/89/81/04/1228898104.db2.gz AYHRTCWOXOBZDD-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020145731 1229509940 /nfs/dbraw/zinc/50/99/40/1229509940.db2.gz PKQFBASZYLGLHH-FHWLQOOXSA-N 2 0 340.471 2.168 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131503 1230341025 /nfs/dbraw/zinc/34/10/25/1230341025.db2.gz NXZZYWZOYALSER-MOPGFXCFSA-N 2 0 331.504 2.075 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039235620 1230469469 /nfs/dbraw/zinc/46/94/69/1230469469.db2.gz QQYXWKRDFBJPRE-ROUUACIJSA-N 2 0 342.487 2.343 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458367 1230624991 /nfs/dbraw/zinc/62/49/91/1230624991.db2.gz RTWVEMJXVSGJGM-MOPGFXCFSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC2CC2)CC1 ZINC001040014221 1230964095 /nfs/dbraw/zinc/96/40/95/1230964095.db2.gz HMCVMOLGVUMZBT-BGYRXZFFSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208094 1231104461 /nfs/dbraw/zinc/10/44/61/1231104461.db2.gz IYTUGBGWGAUTIL-UYAOXDASSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040911222 1231402492 /nfs/dbraw/zinc/40/24/92/1231402492.db2.gz AGOOFSXISRUCDO-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041349503 1231515139 /nfs/dbraw/zinc/51/51/39/1231515139.db2.gz PFDDVVSTDQVNHO-UYAOXDASSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268373 1231993764 /nfs/dbraw/zinc/99/37/64/1231993764.db2.gz CJNIBOBMRRKAEX-AZUAARDMSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)CC1 ZINC001044335654 1232879725 /nfs/dbraw/zinc/87/97/25/1232879725.db2.gz MNGWVQBUYTWYGG-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096015861 1233589823 /nfs/dbraw/zinc/58/98/23/1233589823.db2.gz SWLKYKBHJJYLKH-PASDCYSWSA-N 2 0 337.483 2.497 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1ncc[nH]1)C2 ZINC001045935654 1234188404 /nfs/dbraw/zinc/18/84/04/1234188404.db2.gz PQGPRIWAQQCCSJ-LJQANCHMSA-N 2 0 328.460 2.070 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047230941 1235707193 /nfs/dbraw/zinc/70/71/93/1235707193.db2.gz ITCSUOQKOQQHPS-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047261341 1235768645 /nfs/dbraw/zinc/76/86/45/1235768645.db2.gz FCMZTJSECRNNEK-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001047261885 1235769794 /nfs/dbraw/zinc/76/97/94/1235769794.db2.gz IYZDBVSHZPIFJK-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533852 1237898057 /nfs/dbraw/zinc/89/80/57/1237898057.db2.gz LPGRHOTULWIMNN-RNQOJCNYSA-N 2 0 343.515 2.386 20 30 EEEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003265 1239717405 /nfs/dbraw/zinc/71/74/05/1239717405.db2.gz FVWXIKBGSGUOFG-SCTDSRPQSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC001000185289 1240039709 /nfs/dbraw/zinc/03/97/09/1240039709.db2.gz NSYCBHFNIDOAMO-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC001000242125 1240094572 /nfs/dbraw/zinc/09/45/72/1240094572.db2.gz AZSXNKWZRNWBGT-KRWDZBQOSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235884 1240342202 /nfs/dbraw/zinc/34/22/02/1240342202.db2.gz XPINXCKJWJEEOK-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687737 1240736774 /nfs/dbraw/zinc/73/67/74/1240736774.db2.gz HTTRHWWHRXSPSY-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524911 1241246368 /nfs/dbraw/zinc/24/63/68/1241246368.db2.gz OQHUJRMYYWPWLH-IPMKNSEASA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001000991618 1241394407 /nfs/dbraw/zinc/39/44/07/1241394407.db2.gz IZUVJEVCIIBJIN-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787709 1242184015 /nfs/dbraw/zinc/18/40/15/1242184015.db2.gz JSAIQZXZSSLNML-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP N#Cc1ccc(C2([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000903932089 1242551360 /nfs/dbraw/zinc/55/13/60/1242551360.db2.gz MCNPRBGEWNWSAU-QGZVFWFLSA-N 2 0 336.443 2.243 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027607 1245707062 /nfs/dbraw/zinc/70/70/62/1245707062.db2.gz FKUAVYBORIJJST-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104163 1245916381 /nfs/dbraw/zinc/91/63/81/1245916381.db2.gz CQGQPWXRABKTNG-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001101580194 1245986231 /nfs/dbraw/zinc/98/62/31/1245986231.db2.gz MRTYCRYNQJBAND-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248883 1246758249 /nfs/dbraw/zinc/75/82/49/1246758249.db2.gz BBSMSFJAZVWWAT-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052425643 1247253586 /nfs/dbraw/zinc/25/35/86/1247253586.db2.gz AFXLVHBVLUJGRN-MRXNPFEDSA-N 2 0 333.501 2.417 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052590199 1247620683 /nfs/dbraw/zinc/62/06/83/1247620683.db2.gz VXQZPBDAEMRCRR-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071677002 1254497871 /nfs/dbraw/zinc/49/78/71/1254497871.db2.gz QOCFDKVTZVJGFM-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828832 1254689251 /nfs/dbraw/zinc/68/92/51/1254689251.db2.gz VLTTUZNGEBIISF-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115956 1257976378 /nfs/dbraw/zinc/97/63/78/1257976378.db2.gz LYYDERDBFMPMNN-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CCC)C1 ZINC001099551795 1258200503 /nfs/dbraw/zinc/20/05/03/1258200503.db2.gz DEPOBXAGELOONT-QAETUUGQSA-N 2 0 339.911 2.250 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001100829843 1259311275 /nfs/dbraw/zinc/31/12/75/1259311275.db2.gz NPPGUHBBOAZMPV-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185751319 1278785643 /nfs/dbraw/zinc/78/56/43/1278785643.db2.gz OZWYNSOWIHKKBB-QZTJIDSGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCOCC[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001198244369 1285052703 /nfs/dbraw/zinc/05/27/03/1285052703.db2.gz XKNYPPVWILYLKY-UHFFFAOYSA-N 2 0 345.487 2.099 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198776104 1285354300 /nfs/dbraw/zinc/35/43/00/1285354300.db2.gz MPFBELLXASNIBR-DLBZAZTESA-N 2 0 333.476 2.358 20 30 EEEDRP C[NH+]1CCN(c2cc(Nc3nc4ncccc4cc3C#N)cc[nH+]2)CC1 ZINC001201651113 1289717579 /nfs/dbraw/zinc/71/75/79/1289717579.db2.gz MRWNBXYYGJLJGA-UHFFFAOYSA-N 2 0 345.410 2.392 20 30 EEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588576 1296098222 /nfs/dbraw/zinc/09/82/22/1296098222.db2.gz LLERPLBFAYQHSM-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001215972885 1297029212 /nfs/dbraw/zinc/02/92/12/1297029212.db2.gz BQIICQKNNQAYHO-QZTJIDSGSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037456 1297914608 /nfs/dbraw/zinc/91/46/08/1297914608.db2.gz LKKRURTZHHCMLG-RBUKOAKNSA-N 2 0 349.519 2.130 20 30 EEEDRP N#Cc1ccc(CN(C(=O)C2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183480 1298696032 /nfs/dbraw/zinc/69/60/32/1298696032.db2.gz KJGDHBUDUBTGMC-WGSAOQKQSA-N 2 0 340.471 2.156 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659250 1298977983 /nfs/dbraw/zinc/97/79/83/1298977983.db2.gz KMKLUHMPYWMOBK-IEBWSBKVSA-N 2 0 342.487 2.407 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001102473922 1301117730 /nfs/dbraw/zinc/11/77/30/1301117730.db2.gz WNCOMMYKVJGQJH-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703140 1301935197 /nfs/dbraw/zinc/93/51/97/1301935197.db2.gz CCVMVHHFFKAHHE-GUDVDZBRSA-N 2 0 349.519 2.080 20 30 EEEDRP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC001227806831 1301971349 /nfs/dbraw/zinc/97/13/49/1301971349.db2.gz GWAJLBXKOAGEDL-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993604 1302037733 /nfs/dbraw/zinc/03/77/33/1302037733.db2.gz CGODKBOIOTUJDA-BHIYHBOVSA-N 2 0 333.520 2.369 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162900 1302361560 /nfs/dbraw/zinc/36/15/60/1302361560.db2.gz OUROACOTYVZAMT-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271278 1302623110 /nfs/dbraw/zinc/62/31/10/1302623110.db2.gz HOIRNRWPLSIDGK-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001103436310 1302959351 /nfs/dbraw/zinc/95/93/51/1302959351.db2.gz SUDQFFAIUYWPFQ-BPQIPLTHSA-N 2 0 344.503 2.404 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001230355106 1303175523 /nfs/dbraw/zinc/17/55/23/1303175523.db2.gz SPNGPNKHKLKQIF-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230917606 1303544622 /nfs/dbraw/zinc/54/46/22/1303544622.db2.gz CTDZJABAESUAAQ-IBGZPJMESA-N 2 0 344.503 2.308 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C(F)(F)F ZINC001112179786 1304301431 /nfs/dbraw/zinc/30/14/31/1304301431.db2.gz JUZZNRNRWGUYFB-HUUCEWRRSA-N 2 0 347.425 2.111 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001115288667 1304906534 /nfs/dbraw/zinc/90/65/34/1304906534.db2.gz WJZZQTLXPUUOSZ-BWTSREIZSA-N 2 0 327.472 2.374 20 30 EEEDRP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001121595620 1310063056 /nfs/dbraw/zinc/06/30/56/1310063056.db2.gz UIUXWIWHSSVQFF-BBWFWOEESA-N 2 0 346.523 2.192 20 30 EEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCOCCOCC[NH3+] ZINC001245991711 1310203583 /nfs/dbraw/zinc/20/35/83/1310203583.db2.gz GUOCKEORIRRTHS-GOSISDBHSA-N 2 0 332.529 2.460 20 30 EEEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001161683474 1320587090 /nfs/dbraw/zinc/58/70/90/1320587090.db2.gz XCHCCBZJQNHPLV-HXUWFJFHSA-N 2 0 339.483 2.451 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114541 1314812558 /nfs/dbraw/zinc/81/25/58/1314812558.db2.gz WYANKZZLJCRKCW-VQTJNVASSA-N 2 0 337.471 2.250 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001151408373 1316524038 /nfs/dbraw/zinc/52/40/38/1316524038.db2.gz GZHVQZQDEQVSPY-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC001152329815 1316657689 /nfs/dbraw/zinc/65/76/89/1316657689.db2.gz BKBUXSYFPOHMDQ-LJQANCHMSA-N 2 0 345.462 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC001152334717 1316658267 /nfs/dbraw/zinc/65/82/67/1316658267.db2.gz PYGWLANXUCWXCG-CQSZACIVSA-N 2 0 349.425 2.077 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904505 1317378314 /nfs/dbraw/zinc/37/83/14/1317378314.db2.gz VJLDDLXLQZMDRS-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001258731502 1319331807 /nfs/dbraw/zinc/33/18/07/1319331807.db2.gz YUJFSUWSLCUYNP-INIZCTEOSA-N 2 0 330.476 2.400 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001160274186 1320119766 /nfs/dbraw/zinc/11/97/66/1320119766.db2.gz QFVDKOUYSQHINZ-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001161248932 1320433213 /nfs/dbraw/zinc/43/32/13/1320433213.db2.gz SHGJDUIWQYKREB-SFHVURJKSA-N 2 0 349.519 2.202 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001162746494 1320948109 /nfs/dbraw/zinc/94/81/09/1320948109.db2.gz FJSDEEWQLQUHIQ-LJQANCHMSA-N 2 0 329.488 2.318 20 30 EEEDRP COc1cccc([C@H](C[NH3+])Nc2ncc3c(c2C#N)CCC[NH2+]C3)c1 ZINC001163302969 1321091385 /nfs/dbraw/zinc/09/13/85/1321091385.db2.gz FAVXHPZXSCRGQG-SFHVURJKSA-N 2 0 337.427 2.110 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC001163328486 1321099199 /nfs/dbraw/zinc/09/91/99/1321099199.db2.gz QEGBEACYRJSRFF-BNZXWLTMSA-N 2 0 327.432 2.103 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(NCC2([NH+](C)C)CCN(C)CC2)cc1C#N ZINC001164213383 1321319822 /nfs/dbraw/zinc/31/98/22/1321319822.db2.gz UELPQSLRVQQMEH-PXLXIMEGSA-N 2 0 342.491 2.218 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164450189 1321383026 /nfs/dbraw/zinc/38/30/26/1321383026.db2.gz ZXESGCSBZCUEEW-CQSZACIVSA-N 2 0 346.313 2.113 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166541780 1321739421 /nfs/dbraw/zinc/73/94/21/1321739421.db2.gz OFDGBMNMNHQDNK-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]C/C=C\Cl)C23CCC3)CC1 ZINC001203773658 1321958527 /nfs/dbraw/zinc/95/85/27/1321958527.db2.gz WDADVJAGSILCKV-JNZXNGNHSA-N 2 0 349.906 2.101 20 30 EEEDRP COC(=O)CC[N@@H+](CCCc1ccc(C#N)cc1)CCC[NH+](C)C ZINC001208857560 1324693942 /nfs/dbraw/zinc/69/39/42/1324693942.db2.gz GQAWTASDOQZYDS-UHFFFAOYSA-N 2 0 331.460 2.308 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209221285 1324860458 /nfs/dbraw/zinc/86/04/58/1324860458.db2.gz AKZUCEFCSKTKCH-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209232557 1324866984 /nfs/dbraw/zinc/86/69/84/1324866984.db2.gz KGXAAVZUJVRSKW-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001209419594 1324929395 /nfs/dbraw/zinc/92/93/95/1324929395.db2.gz OKUHVKKNADLXEO-SFHVURJKSA-N 2 0 347.890 2.224 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001209446013 1324934247 /nfs/dbraw/zinc/93/42/47/1324934247.db2.gz QFBLMHQOVLKCFC-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209650942 1324999898 /nfs/dbraw/zinc/99/98/98/1324999898.db2.gz LVXCAINWUUQAGK-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209715459 1325019829 /nfs/dbraw/zinc/01/98/29/1325019829.db2.gz IOUHBDCLAUORNF-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210483516 1325303542 /nfs/dbraw/zinc/30/35/42/1325303542.db2.gz ZVHRJFHMOSLFHZ-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP N#Cc1ccnc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c1 ZINC001276687055 1325338023 /nfs/dbraw/zinc/33/80/23/1325338023.db2.gz KVWSHDHURHCSEW-MOPGFXCFSA-N 2 0 336.443 2.401 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001210750920 1325414102 /nfs/dbraw/zinc/41/41/02/1325414102.db2.gz ONYVGSIJLOYUDI-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410528 1371433989 /nfs/dbraw/zinc/43/39/89/1371433989.db2.gz CFAVTBMHZBDFAZ-NSHGMRRFSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001343721260 1372960285 /nfs/dbraw/zinc/96/02/85/1372960285.db2.gz FJBQUSNZVFVLML-IPMKNSEASA-N 2 0 327.472 2.403 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001357572677 1373217029 /nfs/dbraw/zinc/21/70/29/1373217029.db2.gz JRXILPVHCPXHMV-RBUKOAKNSA-N 2 0 345.487 2.077 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001367862043 1374291051 /nfs/dbraw/zinc/29/10/51/1374291051.db2.gz MGGLNAMNWHQCCZ-HOCLYGCPSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001369779439 1374645250 /nfs/dbraw/zinc/64/52/50/1374645250.db2.gz SDVBSSFXERQWGN-IBGZPJMESA-N 2 0 342.487 2.321 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001370906482 1375116206 /nfs/dbraw/zinc/11/62/06/1375116206.db2.gz UXOBJDXQMFJKCW-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001390146914 1388460854 /nfs/dbraw/zinc/46/08/54/1388460854.db2.gz QJVSLAQVUXTIGN-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CC2)cc1 ZINC001375550570 1377839969 /nfs/dbraw/zinc/83/99/69/1377839969.db2.gz BCEOQWRUGHUWDV-UHFFFAOYSA-N 2 0 340.471 2.173 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396019 1379203432 /nfs/dbraw/zinc/20/34/32/1379203432.db2.gz UJKQUHRUZJJKRL-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001391134586 1389062571 /nfs/dbraw/zinc/06/25/71/1389062571.db2.gz AYSZTGXLWJZVSU-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC001397125161 1391095098 /nfs/dbraw/zinc/09/50/98/1391095098.db2.gz ZTPHYCHYSGLSLL-IYARVYRRSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001401113090 1396947685 /nfs/dbraw/zinc/94/76/85/1396947685.db2.gz CQNMRFKEBUBWDD-BBRMVZONSA-N 2 0 327.900 2.488 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001402152287 1397799090 /nfs/dbraw/zinc/79/90/90/1397799090.db2.gz DXGBOBACVVFDHM-AEFFLSMTSA-N 2 0 346.500 2.042 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H]1C ZINC001425885064 1401789693 /nfs/dbraw/zinc/78/96/93/1401789693.db2.gz HNBUDAVWBDMUBU-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC001574518488 1403521949 /nfs/dbraw/zinc/52/19/49/1403521949.db2.gz YDMNXONRBUYFOK-QUCCMNQESA-N 2 0 331.504 2.247 20 30 EEEDRP Cc1ccccc1NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180454364 1405820329 /nfs/dbraw/zinc/82/03/29/1405820329.db2.gz DKRWPVKCTYLTIU-GOSISDBHSA-N 2 0 338.455 2.488 20 30 EEEDRP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001755463212 1407497812 /nfs/dbraw/zinc/49/78/12/1407497812.db2.gz ITBFLYHLEIBESK-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303872607 1409792034 /nfs/dbraw/zinc/79/20/34/1409792034.db2.gz GMAXKSPUBDFMFM-CQSZACIVSA-N 2 0 332.448 2.306 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325801 1410221311 /nfs/dbraw/zinc/22/13/11/1410221311.db2.gz OESQDUYFBOZRRT-UHFFFAOYSA-N 2 0 327.900 2.486 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H]2CC)CC1 ZINC001087839014 782343909 /nfs/dbraw/zinc/34/39/09/782343909.db2.gz HXXRDTTUXSNGIN-RBUKOAKNSA-N 2 0 331.504 2.267 20 30 EEEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001167258117 757585371 /nfs/dbraw/zinc/58/53/71/757585371.db2.gz QNJMWMQVYAKDKQ-SFHVURJKSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291910 758132565 /nfs/dbraw/zinc/13/25/65/758132565.db2.gz ZLMDPXFEFPSKEL-WQVCFCJDSA-N 2 0 327.900 2.153 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449445 760423766 /nfs/dbraw/zinc/42/37/66/760423766.db2.gz JDXUUYGPSHRAIF-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522038 761407717 /nfs/dbraw/zinc/40/77/17/761407717.db2.gz BEQIPTQARZDIDK-WMZOPIPTSA-N 2 0 339.911 2.299 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427902 769072115 /nfs/dbraw/zinc/07/21/15/769072115.db2.gz SVROLUKIOANZNO-QZTJIDSGSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446348 769308649 /nfs/dbraw/zinc/30/86/49/769308649.db2.gz WGASMCDQYIKLBG-MOPGFXCFSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211667191 769950795 /nfs/dbraw/zinc/95/07/95/769950795.db2.gz YDJRZKPVSVBAGH-XUVXKRRUSA-N 2 0 341.499 2.180 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082113 782879056 /nfs/dbraw/zinc/87/90/56/782879056.db2.gz WTAAYFFTOLEDIM-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112175398 782884596 /nfs/dbraw/zinc/88/45/96/782884596.db2.gz ZNLBSKIYGHLCCX-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211667 783062412 /nfs/dbraw/zinc/06/24/12/783062412.db2.gz UOBSBIQDCKLKRC-SJORKVTESA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C\Cl)[C@H](C)C2)CC1 ZINC000948070322 773435198 /nfs/dbraw/zinc/43/51/98/773435198.db2.gz OLJSUJBGMCLXBO-XZQPKOJISA-N 2 0 337.895 2.053 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001089640087 773639041 /nfs/dbraw/zinc/63/90/41/773639041.db2.gz AERYOOOGBGSKAH-KRWDZBQOSA-N 2 0 338.455 2.496 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980165979 773991397 /nfs/dbraw/zinc/99/13/97/773991397.db2.gz VTDJZLQNZQIPSA-BHYGNILZSA-N 2 0 331.460 2.358 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980167622 773993792 /nfs/dbraw/zinc/99/37/92/773993792.db2.gz FLKHOGPBVKXJDG-BZSNNMDCSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(=C)C)C[C@H]3C2)CC1 ZINC000980255832 774198714 /nfs/dbraw/zinc/19/87/14/774198714.db2.gz PNYWIDFGYAZWGA-VAMGGRTRSA-N 2 0 343.515 2.124 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027930053 774553913 /nfs/dbraw/zinc/55/39/13/774553913.db2.gz MAEDYMQAZBANPM-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831723 777326210 /nfs/dbraw/zinc/32/62/10/777326210.db2.gz OIXCRWZIBAWZHW-OKYOBFRVSA-N 2 0 343.515 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(=C)Cl)C2)CC1 ZINC000981542429 777627572 /nfs/dbraw/zinc/62/75/72/777627572.db2.gz UONMIXPXYVITPX-DLBZAZTESA-N 2 0 337.895 2.101 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847716 777906238 /nfs/dbraw/zinc/90/62/38/777906238.db2.gz WVFQVDGZPKMTEO-MLHJIOFPSA-N 2 0 331.504 2.216 20 30 EEEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc1 ZINC001171256853 790700545 /nfs/dbraw/zinc/70/05/45/790700545.db2.gz UEXISRUNCUIQDA-UHFFFAOYSA-N 2 0 348.450 2.390 20 30 EEEDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236880110 779713206 /nfs/dbraw/zinc/71/32/06/779713206.db2.gz ZVUNBFFYOBUNJD-KRWDZBQOSA-N 2 0 330.476 2.095 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400745 780012632 /nfs/dbraw/zinc/01/26/32/780012632.db2.gz IQZNZSRWZRXOAX-SESVDKBCSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001105394437 781791079 /nfs/dbraw/zinc/79/10/79/781791079.db2.gz XANAEXXFYKMNOW-GOSISDBHSA-N 2 0 345.531 2.443 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001035051863 783658056 /nfs/dbraw/zinc/65/80/56/783658056.db2.gz SIXJWDDMONFSOB-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001105698214 785144132 /nfs/dbraw/zinc/14/41/32/785144132.db2.gz GPSJORWDTXJIRS-VQIMIIECSA-N 2 0 349.519 2.127 20 30 EEEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995823993 785724654 /nfs/dbraw/zinc/72/46/54/785724654.db2.gz PJKFKMSUDURCHO-AEFFLSMTSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001036600325 786850607 /nfs/dbraw/zinc/85/06/07/786850607.db2.gz YNEUAIUHPHVSBB-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608392 787893016 /nfs/dbraw/zinc/89/30/16/787893016.db2.gz PEEXYAWBVFRQDV-IEBWSBKVSA-N 2 0 331.504 2.409 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000923284114 789282822 /nfs/dbraw/zinc/28/28/22/789282822.db2.gz HPRMICYLWSNTLO-QAPCUYQASA-N 2 0 348.487 2.223 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000923294609 789325906 /nfs/dbraw/zinc/32/59/06/789325906.db2.gz NRZGCXIEAAHJQZ-ABHNRTSZSA-N 2 0 348.487 2.365 20 30 EEEDRP CN(C(=O)Cc1cnc[nH]1)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001006059177 789434159 /nfs/dbraw/zinc/43/41/59/789434159.db2.gz HAEYDIDAFGJKSJ-UHFFFAOYSA-N 2 0 343.456 2.008 20 30 EEEDRP C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923389289 789485453 /nfs/dbraw/zinc/48/54/53/789485453.db2.gz NVYPZUAEZWHNLB-HHXXYDBFSA-N 2 0 331.460 2.137 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2C)CC1 ZINC001089059874 792024536 /nfs/dbraw/zinc/02/45/36/792024536.db2.gz GJRTVECYBPBDPU-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998278213 792439653 /nfs/dbraw/zinc/43/96/53/792439653.db2.gz RQOQNCOUOVWMMF-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298823 792504167 /nfs/dbraw/zinc/50/41/67/792504167.db2.gz YYRZJNUIUYBEMZ-UONOGXRCSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040488223 793170089 /nfs/dbraw/zinc/17/00/89/793170089.db2.gz IZOMNPPXOJDKTD-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947724 793452124 /nfs/dbraw/zinc/45/21/24/793452124.db2.gz MHILQRMLPLDQRK-QFUCXCTJSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013353 793505728 /nfs/dbraw/zinc/50/57/28/793505728.db2.gz ODVDYXYPDSMXPY-UXPWSPDFSA-N 2 0 349.494 2.003 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092190909 793653511 /nfs/dbraw/zinc/65/35/11/793653511.db2.gz ZRCFNJVIJNYPKX-GIVPXCGWSA-N 2 0 341.499 2.430 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502230 794436398 /nfs/dbraw/zinc/43/63/98/794436398.db2.gz BBEULVHARCPPND-FPOVZHCZSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573756 794672086 /nfs/dbraw/zinc/67/20/86/794672086.db2.gz JTYARYXRJVOSOJ-CVEARBPZSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373926 795107005 /nfs/dbraw/zinc/10/70/05/795107005.db2.gz VBYNPAFZIWTBHX-RTBURBONSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC001093399873 795177965 /nfs/dbraw/zinc/17/79/65/795177965.db2.gz UBVRCJSGMSIYJS-FDYSRKEFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271453 795318933 /nfs/dbraw/zinc/31/89/33/795318933.db2.gz GASKCMARBJKNCV-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108022061 795618120 /nfs/dbraw/zinc/61/81/20/795618120.db2.gz CKVXBQACTOSONI-IBGZPJMESA-N 2 0 349.519 2.036 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078749848 796924440 /nfs/dbraw/zinc/92/44/40/796924440.db2.gz QFHBTTJSXAHDGM-MSOLQXFVSA-N 2 0 325.456 2.012 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557492 806546158 /nfs/dbraw/zinc/54/61/58/806546158.db2.gz JCYFMIYJYONRGF-RDJZCZTQSA-N 2 0 327.900 2.299 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172969456 797175323 /nfs/dbraw/zinc/17/53/23/797175323.db2.gz WAZQFVXNRAZJAS-OAGGEKHMSA-N 2 0 336.480 2.209 20 30 EEEDRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172989315 797182587 /nfs/dbraw/zinc/18/25/87/797182587.db2.gz GOLUDXQNXWQFAZ-CVEARBPZSA-N 2 0 348.491 2.306 20 30 EEEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173423320 797442966 /nfs/dbraw/zinc/44/29/66/797442966.db2.gz JDZOAVNMOIQNBQ-GOSISDBHSA-N 2 0 340.471 2.237 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565131 798498971 /nfs/dbraw/zinc/49/89/71/798498971.db2.gz STYRXORLDNLFDS-AZUAARDMSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001177323949 798861581 /nfs/dbraw/zinc/86/15/81/798861581.db2.gz KTDPRGUFRBXSNI-RBUKOAKNSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178890996 799676741 /nfs/dbraw/zinc/67/67/41/799676741.db2.gz LKEQRGXGVNQBIK-KSZLIROESA-N 2 0 337.508 2.031 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001179857100 800134864 /nfs/dbraw/zinc/13/48/64/800134864.db2.gz RSULWASLBBCYKZ-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179976518 800194156 /nfs/dbraw/zinc/19/41/56/800194156.db2.gz RTABMCGZUMOGDA-YOEHRIQHSA-N 2 0 348.516 2.431 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720701 800879605 /nfs/dbraw/zinc/87/96/05/800879605.db2.gz NBGMLHRDXVHYDU-WSTZPKSXSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590389 801606161 /nfs/dbraw/zinc/60/61/61/801606161.db2.gz AQLKJSKNCVVDCR-OTWHNJEPSA-N 2 0 331.504 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(CC)CC)CC1 ZINC001085986841 801840164 /nfs/dbraw/zinc/84/01/64/801840164.db2.gz OCGGPFJFABZEIB-IBGZPJMESA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004479474 802183397 /nfs/dbraw/zinc/18/33/97/802183397.db2.gz FXKPHKVGEKUAPD-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004508948 802247189 /nfs/dbraw/zinc/24/71/89/802247189.db2.gz VVPRYEIPHXNXTC-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538187 802321267 /nfs/dbraw/zinc/32/12/67/802321267.db2.gz ARTVAQJDMKLBCT-RBUKOAKNSA-N 2 0 333.520 2.299 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001185169455 802373708 /nfs/dbraw/zinc/37/37/08/802373708.db2.gz LRIAHIGGYZWGQY-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375693 809929665 /nfs/dbraw/zinc/92/96/65/809929665.db2.gz DITDOWBVGHHNPG-FDYSRKEFSA-N 2 0 342.487 2.224 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430708 810849589 /nfs/dbraw/zinc/84/95/89/810849589.db2.gz WFUZQMLMDGFDCB-CQSZACIVSA-N 2 0 344.297 2.008 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437309201 1089466754 /nfs/dbraw/zinc/46/67/54/1089466754.db2.gz AGUZVQOQKSQFIU-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001444769008 1099666412 /nfs/dbraw/zinc/66/64/12/1099666412.db2.gz VOKVLZRAVONQNE-HNNXBMFYSA-N 2 0 327.900 2.488 20 30 EEEDRP N#Cc1cccc(CN2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001499127886 1112138485 /nfs/dbraw/zinc/13/84/85/1112138485.db2.gz RJCGPLURGVBQDK-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602564 781921371 /nfs/dbraw/zinc/92/13/71/781921371.db2.gz URKBBXBOMNIMQG-OTWHNJEPSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396750 781942232 /nfs/dbraw/zinc/94/22/32/781942232.db2.gz UWTVTDHJJWFIAO-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000995213124 781964221 /nfs/dbraw/zinc/96/42/21/781964221.db2.gz PVDWWOCCCFHZAK-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)CC1 ZINC000491542645 246066560 /nfs/dbraw/zinc/06/65/60/246066560.db2.gz BJKMLHMZCQHDAM-UHFFFAOYSA-N 2 0 347.434 2.050 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCOc1cccc(C#N)c1 ZINC000374419979 167038584 /nfs/dbraw/zinc/03/85/84/167038584.db2.gz JULMSAHLAZLUPY-BHIYHBOVSA-N 2 0 329.444 2.121 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653485 782021608 /nfs/dbraw/zinc/02/16/08/782021608.db2.gz ZYKSULFADHSKKR-FUHWJXTLSA-N 2 0 339.443 2.426 20 30 EEEDRP COc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C#N ZINC000533583861 270022604 /nfs/dbraw/zinc/02/26/04/270022604.db2.gz NAAKANAQDMLMRW-UHFFFAOYSA-N 2 0 337.427 2.326 20 30 EEEDRP C=CCC[C@H](O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000268524267 463780497 /nfs/dbraw/zinc/78/04/97/463780497.db2.gz GOTKSHDAAVMGDN-SFHVURJKSA-N 2 0 347.503 2.076 20 30 EEEDRP C=CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898240 463892880 /nfs/dbraw/zinc/89/28/80/463892880.db2.gz VKJPAFJKKAMBPT-CRAIPNDOSA-N 2 0 326.448 2.211 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000291605868 464156429 /nfs/dbraw/zinc/15/64/29/464156429.db2.gz JCCMVKZLIXSBAV-UYAOXDASSA-N 2 0 348.535 2.422 20 30 EEEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081545 464281167 /nfs/dbraw/zinc/28/11/67/464281167.db2.gz HOEOXHYDMULSPE-UHFFFAOYSA-N 2 0 331.508 2.448 20 30 EEEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264119759 464284998 /nfs/dbraw/zinc/28/49/98/464284998.db2.gz UPVZAEBRXFXCTH-OAHLLOKOSA-N 2 0 331.508 2.304 20 30 EEEDRP C=CCN1CC[C@H](N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740022 464677427 /nfs/dbraw/zinc/67/74/27/464677427.db2.gz YCGNTKOGKMBZEX-PZJWPPBQSA-N 2 0 339.483 2.371 20 30 EEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000266973353 464890909 /nfs/dbraw/zinc/89/09/09/464890909.db2.gz HFLOZLNDHYLYAW-ZDUSSCGKSA-N 2 0 328.382 2.452 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(C[NH3+])CCCC3)CC2)c1 ZINC000593919148 468433442 /nfs/dbraw/zinc/43/34/42/468433442.db2.gz QFXGRAWJPAOECM-UHFFFAOYSA-N 2 0 340.471 2.158 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000329875214 465458560 /nfs/dbraw/zinc/45/85/60/465458560.db2.gz GHHDGHIKTKYFDF-IYBDPMFKSA-N 2 0 345.491 2.163 20 30 EEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345720622 465894155 /nfs/dbraw/zinc/89/41/55/465894155.db2.gz YVTMMVVGZVVMJU-UHFFFAOYSA-N 2 0 336.524 2.342 20 30 EEEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346966573 466287353 /nfs/dbraw/zinc/28/73/53/466287353.db2.gz OLBSPZJUWSLMPG-UHFFFAOYSA-N 2 0 334.508 2.383 20 30 EEEDRP N#CC1(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCC1 ZINC000347003343 466310859 /nfs/dbraw/zinc/31/08/59/466310859.db2.gz XOAWBFYAOUKRHE-UHFFFAOYSA-N 2 0 332.492 2.137 20 30 EEEDRP CC[N@H+](CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1)CC1CC1 ZINC000347008808 466315166 /nfs/dbraw/zinc/31/51/66/466315166.db2.gz IVNGTVRYZBXBSM-UHFFFAOYSA-N 2 0 346.519 2.383 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000350147718 466404155 /nfs/dbraw/zinc/40/41/55/466404155.db2.gz AUZMSCGKMJSCGM-LJQANCHMSA-N 2 0 331.460 2.370 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)C(C)C ZINC000367888818 466550891 /nfs/dbraw/zinc/55/08/91/466550891.db2.gz YUNNSYBZGYMZMC-OTWHNJEPSA-N 2 0 348.535 2.421 20 30 EEEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000365765400 466932226 /nfs/dbraw/zinc/93/22/26/466932226.db2.gz NKLVAYUMPVGTRO-GOSISDBHSA-N 2 0 336.395 2.435 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000571875005 468852370 /nfs/dbraw/zinc/85/23/70/468852370.db2.gz HIWKFMYBHMXCEX-ATZDWAIDSA-N 2 0 330.472 2.227 20 30 EEEDRP Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000596097140 469153648 /nfs/dbraw/zinc/15/36/48/469153648.db2.gz FEIRXGMTISPAHP-GJZGRUSLSA-N 2 0 346.523 2.766 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609133485 469894404 /nfs/dbraw/zinc/89/44/04/469894404.db2.gz MYEQHIZXLORUEI-QFBILLFUSA-N 2 0 336.524 2.482 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640560354 470940658 /nfs/dbraw/zinc/94/06/58/470940658.db2.gz GFQLJEHBEPUPMT-UHFFFAOYSA-N 2 0 331.464 2.305 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000660705977 471454018 /nfs/dbraw/zinc/45/40/18/471454018.db2.gz YVYCTPPGBRFQMG-UHFFFAOYSA-N 2 0 334.508 2.058 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1)C(C)C ZINC000669385654 471471512 /nfs/dbraw/zinc/47/15/12/471471512.db2.gz IFMMOLWDTTVWGM-RCCFBDPRSA-N 2 0 336.524 2.454 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659449920 471634539 /nfs/dbraw/zinc/63/45/39/471634539.db2.gz BIVNSZUTSZJRGC-GOSISDBHSA-N 2 0 348.535 2.448 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106331565 526589717 /nfs/dbraw/zinc/58/97/17/526589717.db2.gz UCCBBKOWPGGVKE-IRXDYDNUSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291452214 527016846 /nfs/dbraw/zinc/01/68/46/527016846.db2.gz MDLIEIQINIDUTO-GOSISDBHSA-N 2 0 339.483 2.112 20 30 EEEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC000969560430 675103993 /nfs/dbraw/zinc/10/39/93/675103993.db2.gz QNQOJBPOMLTKSN-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)CC1 ZINC001021470043 676118074 /nfs/dbraw/zinc/11/80/74/676118074.db2.gz SYGCBLRLMGTLPL-IHWFROFDSA-N 2 0 343.515 2.409 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970800137 676159954 /nfs/dbraw/zinc/15/99/54/676159954.db2.gz MCABXSXXWYNJTP-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700008 676358885 /nfs/dbraw/zinc/35/88/85/676358885.db2.gz MDIYYOBLIBYRKG-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716982 676376095 /nfs/dbraw/zinc/37/60/95/676376095.db2.gz NCQMVYPOXNRJQM-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCC)CC[C@H]32)CC1 ZINC001021740224 676399086 /nfs/dbraw/zinc/39/90/86/676399086.db2.gz RSPFTZCZPCSTRP-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000891520110 676682957 /nfs/dbraw/zinc/68/29/57/676682957.db2.gz DPXANVDOTAUPBV-LJQANCHMSA-N 2 0 334.508 2.202 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718045 676757739 /nfs/dbraw/zinc/75/77/39/676757739.db2.gz CJIRUOCUXXSJDP-KZNAEPCWSA-N 2 0 349.438 2.118 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718000 676757756 /nfs/dbraw/zinc/75/77/56/676757756.db2.gz AMESIMWWFWRGGA-RCCFBDPRSA-N 2 0 349.438 2.118 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001022880291 678703970 /nfs/dbraw/zinc/70/39/70/678703970.db2.gz RGTYBUCOZFCEJY-GASCZTMLSA-N 2 0 346.500 2.088 20 30 EEEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262274530 679092411 /nfs/dbraw/zinc/09/24/11/679092411.db2.gz UKVLYRYGVFZGFG-GBESFXJTSA-N 2 0 349.567 2.148 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023122865 679133825 /nfs/dbraw/zinc/13/38/25/679133825.db2.gz IAJBGCOKTHBHLV-STEAMIEHSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C)cc3)C2)CC1 ZINC001023128774 679136555 /nfs/dbraw/zinc/13/65/55/679136555.db2.gz RVRXXCAXXAFZIN-BGYRXZFFSA-N 2 0 339.483 2.077 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023421680 679301118 /nfs/dbraw/zinc/30/11/18/679301118.db2.gz GYRCOWTVVZSSLX-OALUTQOASA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001023761854 679566775 /nfs/dbraw/zinc/56/67/75/679566775.db2.gz KQOVNETXWCYURH-SFHVURJKSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281336 682390885 /nfs/dbraw/zinc/39/08/85/682390885.db2.gz TWMBQZAZIREISY-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261978185 682711768 /nfs/dbraw/zinc/71/17/68/682711768.db2.gz OETRLPXDXPTANT-IAQYHMDHSA-N 2 0 335.521 2.298 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514419 682941288 /nfs/dbraw/zinc/94/12/88/682941288.db2.gz BIOSLGMNGTWVKR-CVEARBPZSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]12 ZINC001026428824 684634632 /nfs/dbraw/zinc/63/46/32/684634632.db2.gz NMLKFFCNUNDEMQ-IXDOHACOSA-N 2 0 339.911 2.442 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680163 693950519 /nfs/dbraw/zinc/95/05/19/693950519.db2.gz BEBCBQKNOHVUJQ-HNNXBMFYSA-N 2 0 346.500 2.138 20 30 EEEDRP C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000262548471 687100634 /nfs/dbraw/zinc/10/06/34/687100634.db2.gz WRTVTCNHPWUWGF-UHFFFAOYSA-N 2 0 332.448 2.449 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441060 688158019 /nfs/dbraw/zinc/15/80/19/688158019.db2.gz RHXGBJCGFWMSSA-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964834 691331849 /nfs/dbraw/zinc/33/18/49/691331849.db2.gz FNDBUQQGNAYRON-CRAIPNDOSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C[C@@H]2C)CC1 ZINC000989829032 692372158 /nfs/dbraw/zinc/37/21/58/692372158.db2.gz NHSSFHABJKWSQT-PXNSSMCTSA-N 2 0 343.515 2.411 20 30 EEEDRP N#CCCCN1CCC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716543 1191977244 /nfs/dbraw/zinc/97/72/44/1191977244.db2.gz HEGHJLHSOBCCRQ-UHFFFAOYSA-N 2 0 346.519 2.481 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943515445 1192325701 /nfs/dbraw/zinc/32/57/01/1192325701.db2.gz GVQHWPZRWNBLKF-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089880466 1192643298 /nfs/dbraw/zinc/64/32/98/1192643298.db2.gz MCBDTOIEVIWUEW-MUGJNUQGSA-N 2 0 345.531 2.463 20 30 EEEDRP C[C@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268392851 1182455059 /nfs/dbraw/zinc/45/50/59/1182455059.db2.gz SLEBYHZQJMEKBN-CRAIPNDOSA-N 2 0 347.890 2.270 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413209 1186826332 /nfs/dbraw/zinc/82/63/32/1186826332.db2.gz ALISMKDOICLPCE-HZPDHXFCSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559539 1188176421 /nfs/dbraw/zinc/17/64/21/1188176421.db2.gz SJBFYSZDTKPSNF-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576478 1188190534 /nfs/dbraw/zinc/19/05/34/1188190534.db2.gz FHRVPTDMLBKJEK-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737125 1188397802 /nfs/dbraw/zinc/39/78/02/1188397802.db2.gz BXSXALGSQISSSH-WBVHZDCISA-N 2 0 339.443 2.426 20 30 EEEDRP C[NH+]1CCC(C)(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273101473 1194385639 /nfs/dbraw/zinc/38/56/39/1194385639.db2.gz WCVHQOPTVMKJJA-QGZVFWFLSA-N 2 0 346.519 2.240 20 30 EEEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001005180185 1194668529 /nfs/dbraw/zinc/66/85/29/1194668529.db2.gz RAZUNKCOKHJLFF-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001410890016 1198541671 /nfs/dbraw/zinc/54/16/71/1198541671.db2.gz SAYLBDYPVZBMKI-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000873293315 1198552642 /nfs/dbraw/zinc/55/26/42/1198552642.db2.gz ZAMPRDQBVWSSEV-QAPCUYQASA-N 2 0 329.444 2.398 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519203 1199804140 /nfs/dbraw/zinc/80/41/40/1199804140.db2.gz VAXOGHLRVSCLOM-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001133091780 1200434121 /nfs/dbraw/zinc/43/41/21/1200434121.db2.gz VOXKZEHUMLXDDV-ICSRJNTNSA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001133337253 1200761083 /nfs/dbraw/zinc/76/10/83/1200761083.db2.gz KYMBOTBDTUDHEB-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000879592967 1201162630 /nfs/dbraw/zinc/16/26/30/1201162630.db2.gz RTTFKVNLFYUMJG-UHFFFAOYSA-N 2 0 342.487 2.039 20 30 EEEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCc1cccc(C#N)c1 ZINC001274891057 1205201253 /nfs/dbraw/zinc/20/12/53/1205201253.db2.gz QPLOQJSMIWYZKJ-PMACEKPBSA-N 2 0 326.488 2.201 20 30 EEEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CC1 ZINC000303891338 1213920675 /nfs/dbraw/zinc/92/06/75/1213920675.db2.gz NANUSWOKPYPRKA-MRXNPFEDSA-N 2 0 347.507 2.226 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561224 1215212128 /nfs/dbraw/zinc/21/21/28/1215212128.db2.gz LCCHYYHCNJBQLM-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)CC[NH+](CCC)CC3)CC1 ZINC000957647321 1215294744 /nfs/dbraw/zinc/29/47/44/1215294744.db2.gz BYZBBTMCFDAETR-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000304757351 1216103153 /nfs/dbraw/zinc/10/31/53/1216103153.db2.gz OSXXNJFNWGXIEG-UHFFFAOYSA-N 2 0 332.448 2.067 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)CC1 ZINC000961027055 1217012923 /nfs/dbraw/zinc/01/29/23/1217012923.db2.gz LKJDVVLFTICPEJ-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248298 1217108420 /nfs/dbraw/zinc/10/84/20/1217108420.db2.gz DQBDPTWKFWVGEA-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253574 1217111593 /nfs/dbraw/zinc/11/15/93/1217111593.db2.gz QOIZPPZRDPDDFO-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CC=C)C2)CC1 ZINC000963429781 1217623483 /nfs/dbraw/zinc/62/34/83/1217623483.db2.gz RKRIKWLYWXNYBX-UXHICEINSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC ZINC001037930880 1220429628 /nfs/dbraw/zinc/42/96/28/1220429628.db2.gz ZUUBHCRWFBYBBM-UYAOXDASSA-N 2 0 341.499 2.254 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968850565 1221621229 /nfs/dbraw/zinc/62/12/29/1221621229.db2.gz DBNGOCYRFNMSSJ-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990415 1221723474 /nfs/dbraw/zinc/72/34/74/1221723474.db2.gz CVALCFORFWBZHN-RBUKOAKNSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC001016336486 1226360409 /nfs/dbraw/zinc/36/04/09/1226360409.db2.gz LZJZKRYWIYHKMW-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663879 1226748556 /nfs/dbraw/zinc/74/85/56/1226748556.db2.gz VZXFKPXLDGKPOS-ROUUACIJSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001016820170 1226903234 /nfs/dbraw/zinc/90/32/34/1226903234.db2.gz PDKIZSCMVWYAHK-WMZOPIPTSA-N 2 0 342.487 2.301 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001016826304 1226907191 /nfs/dbraw/zinc/90/71/91/1226907191.db2.gz ORXMDRGNPHUOHN-UKRRQHHQSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC(=C)Cl)CC3)CC1 ZINC001016985972 1227015084 /nfs/dbraw/zinc/01/50/84/1227015084.db2.gz NPOGXFXOGSLRGY-QGZVFWFLSA-N 2 0 349.906 2.055 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001019095049 1228727143 /nfs/dbraw/zinc/72/71/43/1228727143.db2.gz ZZIRIABKYVAAKM-SFHVURJKSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001020250827 1229582946 /nfs/dbraw/zinc/58/29/46/1229582946.db2.gz SXBYHNBQVIHCSF-LFGUQSLTSA-N 2 0 337.467 2.008 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2C)CC1 ZINC001039041931 1230258470 /nfs/dbraw/zinc/25/84/70/1230258470.db2.gz JUSZGCDCXSPZLO-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130131 1230338364 /nfs/dbraw/zinc/33/83/64/1230338364.db2.gz JCEBJRRUYOEDNX-VQTJNVASSA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138403 1230352000 /nfs/dbraw/zinc/35/20/00/1230352000.db2.gz QCCFXENOOBFHFN-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182211 1230409378 /nfs/dbraw/zinc/40/93/78/1230409378.db2.gz LCSHGQDUMBINOU-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387206 1230571947 /nfs/dbraw/zinc/57/19/47/1230571947.db2.gz YBSHZYHBICIOEP-AABGKKOBSA-N 2 0 343.515 2.482 20 30 EEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314018 1231164969 /nfs/dbraw/zinc/16/49/69/1231164969.db2.gz QNDSJTWZZPMHFI-QUCCMNQESA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC=C(C)C)C3)C2)CC1 ZINC001041845086 1231728436 /nfs/dbraw/zinc/72/84/36/1231728436.db2.gz SIFWWMHYEHPPDB-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001045671192 1233898370 /nfs/dbraw/zinc/89/83/70/1233898370.db2.gz FPNIVDFORGZFLK-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001046950801 1235346574 /nfs/dbraw/zinc/34/65/74/1235346574.db2.gz LMCFAWYRZCLUJE-HZPDHXFCSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C/Cl)C3)CC1 ZINC001047209718 1235674052 /nfs/dbraw/zinc/67/40/52/1235674052.db2.gz WOAVDUZUIOLHSI-CTEHYQNGSA-N 2 0 349.906 2.053 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574233 1237998493 /nfs/dbraw/zinc/99/84/93/1237998493.db2.gz STMPAQSDNFGQRX-OBKDMQGPSA-N 2 0 343.515 2.386 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003356 1239717365 /nfs/dbraw/zinc/71/73/65/1239717365.db2.gz JOOUKJQDZITIQO-NSHGMRRFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)CC1 ZINC001050571106 1243862991 /nfs/dbraw/zinc/86/29/91/1243862991.db2.gz LVSUBDBPWZXSRI-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001050606310 1243939124 /nfs/dbraw/zinc/93/91/24/1243939124.db2.gz YFKVYVGVZBLYCG-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001050630436 1243991726 /nfs/dbraw/zinc/99/17/26/1243991726.db2.gz PODBWCORCWLNKR-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001050694406 1244142896 /nfs/dbraw/zinc/14/28/96/1244142896.db2.gz YGIUYAULHSMNDK-INIZCTEOSA-N 2 0 330.476 2.479 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3C)cccc2C1 ZINC001051283066 1245475283 /nfs/dbraw/zinc/47/52/83/1245475283.db2.gz CVRRRVIBVGEBEN-LJQANCHMSA-N 2 0 327.472 2.331 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365944 1245721194 /nfs/dbraw/zinc/72/11/94/1245721194.db2.gz RTZOMARHOCUGEZ-XLIONFOSSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095760 1245892704 /nfs/dbraw/zinc/89/27/04/1245892704.db2.gz KXQBFMHFSDOGLQ-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC001053106959 1245923963 /nfs/dbraw/zinc/92/39/63/1245923963.db2.gz XYPJDRDVOPMNOD-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001101592247 1246000303 /nfs/dbraw/zinc/00/03/03/1246000303.db2.gz UOQWJYDBEAYONL-UHFFFAOYSA-N 2 0 330.476 2.138 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438855 1247286886 /nfs/dbraw/zinc/28/68/86/1247286886.db2.gz CVKIPMZHAARUKM-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219681 1247752427 /nfs/dbraw/zinc/75/24/27/1247752427.db2.gz SDZHZPDMIQECAH-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243562 1247851648 /nfs/dbraw/zinc/85/16/48/1247851648.db2.gz JYSHXYVQHNFVIL-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281550 1247998920 /nfs/dbraw/zinc/99/89/20/1247998920.db2.gz PPMXXILLUDRGEN-HNAYVOBHSA-N 2 0 327.472 2.392 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828682 1254690585 /nfs/dbraw/zinc/69/05/85/1254690585.db2.gz SIBQXQDAZMSEKQ-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074811795 1257148687 /nfs/dbraw/zinc/14/86/87/1257148687.db2.gz GDTKQBUUALEPNE-SNRMKQJTSA-N 2 0 340.471 2.122 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935339 1257863706 /nfs/dbraw/zinc/86/37/06/1257863706.db2.gz GVZHGLGIEGIGPZ-KXBFYZLASA-N 2 0 337.427 2.038 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353418 1258095219 /nfs/dbraw/zinc/09/52/19/1258095219.db2.gz BAOSAMUTSMXWHZ-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099552891 1258201353 /nfs/dbraw/zinc/20/13/53/1258201353.db2.gz QBZJNOUJPCANSU-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001100858312 1259355075 /nfs/dbraw/zinc/35/50/75/1259355075.db2.gz PGUKWVCVSWCADU-KVZIAJEVSA-N 2 0 327.472 2.187 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192007919 1281760663 /nfs/dbraw/zinc/76/06/63/1281760663.db2.gz SYFVPXCVSPZRNC-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001193571934 1282571148 /nfs/dbraw/zinc/57/11/48/1282571148.db2.gz YKRNNDYKPCHPPO-FQEVSTJZSA-N 2 0 341.499 2.303 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC/C=C/CC)C2)CC1 ZINC001194246916 1282956731 /nfs/dbraw/zinc/95/67/31/1282956731.db2.gz SXAAOEGOKNYNOA-OVKVCFKUSA-N 2 0 331.504 2.221 20 30 EEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766639 1285350336 /nfs/dbraw/zinc/35/03/36/1285350336.db2.gz FHCMPZRAFPSHRO-MJGOQNOKSA-N 2 0 345.487 2.052 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001490598079 1291500708 /nfs/dbraw/zinc/50/07/08/1291500708.db2.gz FNRTYORUEYUAEA-CQSZACIVSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164575818 1321423200 /nfs/dbraw/zinc/42/32/00/1321423200.db2.gz INHYZIKPDUZPOX-LSDHHAIUSA-N 2 0 327.900 2.345 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213441677 1296032765 /nfs/dbraw/zinc/03/27/65/1296032765.db2.gz CWAPATRNTLNNOL-KZNAEPCWSA-N 2 0 339.524 2.114 20 30 EEEDRP C=CCC1(O)CC[NH+](C/C=C\C[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886773885 1296724419 /nfs/dbraw/zinc/72/44/19/1296724419.db2.gz CRDDIGILKWWUOJ-WAYWQWQTSA-N 2 0 334.504 2.349 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(CC)CC)C3)CC1 ZINC001073457238 1297088585 /nfs/dbraw/zinc/08/85/85/1297088585.db2.gz HLWFUNZQTOUOEF-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054530 1297919187 /nfs/dbraw/zinc/91/91/87/1297919187.db2.gz FITZJDIQNLDVTF-ZWKOTPCHSA-N 2 0 339.524 2.209 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164949 1298944545 /nfs/dbraw/zinc/94/45/45/1298944545.db2.gz IDXLNENACUCNLN-QGZVFWFLSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713867 1299002415 /nfs/dbraw/zinc/00/24/15/1299002415.db2.gz CDQFYHOKFNJPKV-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1 ZINC001230777709 1303450072 /nfs/dbraw/zinc/45/00/72/1303450072.db2.gz COWKDXAWNNWOPL-UHFFFAOYSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846379 1303497221 /nfs/dbraw/zinc/49/72/21/1303497221.db2.gz HNWQWCLGYSELGY-HKUYNNGSSA-N 2 0 344.503 2.164 20 30 EEEDRP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923531 1303547546 /nfs/dbraw/zinc/54/75/46/1303547546.db2.gz HZWAPVKGZICWAX-UHFFFAOYSA-N 2 0 330.476 2.062 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917063 1304079934 /nfs/dbraw/zinc/07/99/34/1304079934.db2.gz KMXJKOWLEBUBDY-PXNSSMCTSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194090 1304316172 /nfs/dbraw/zinc/31/61/72/1304316172.db2.gz LQHJUIDBEJSSLM-RBSFLKMASA-N 2 0 347.425 2.273 20 30 EEEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCCC(=O)OC(C)(C)C)cc2)CC1 ZINC000783870296 1304370956 /nfs/dbraw/zinc/37/09/56/1304370956.db2.gz KMSHDFQKEUSRTC-UHFFFAOYSA-N 2 0 346.475 2.094 20 30 EEEDRP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998884 1305641364 /nfs/dbraw/zinc/64/13/64/1305641364.db2.gz SLDGEYANBDEMDX-FXAWDEMLSA-N 2 0 344.503 2.203 20 30 EEEDRP CCCCCCCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239361468 1309088611 /nfs/dbraw/zinc/08/86/11/1309088611.db2.gz FUEDTSKRACEZST-HNNXBMFYSA-N 2 0 326.554 2.295 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2ccccc2F)CCN1 ZINC001246445977 1310312685 /nfs/dbraw/zinc/31/26/85/1310312685.db2.gz AWPSALRQIKSOQD-JTDSTZFVSA-N 2 0 330.451 2.490 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149860763 1316070449 /nfs/dbraw/zinc/07/04/49/1316070449.db2.gz KCONORQMZRNMLT-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001151174529 1316467011 /nfs/dbraw/zinc/46/70/11/1316467011.db2.gz DKTCLHZSLTZSGT-MSOLQXFVSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC001152479568 1316677563 /nfs/dbraw/zinc/67/75/63/1316677563.db2.gz HVKMAADCLPVHQQ-KRWDZBQOSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccccc1)[NH+](C)C ZINC001153998293 1316933320 /nfs/dbraw/zinc/93/33/20/1316933320.db2.gz MWNOOSYMJJUDHF-IEBWSBKVSA-N 2 0 329.488 2.205 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254869 1317524872 /nfs/dbraw/zinc/52/48/72/1317524872.db2.gz HEQAQYBMRRJYLX-DLBZAZTESA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883965 1317776984 /nfs/dbraw/zinc/77/69/84/1317776984.db2.gz TXBAKXUPFMPEPH-MSOLQXFVSA-N 2 0 341.540 2.382 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258727171 1319328330 /nfs/dbraw/zinc/32/83/30/1319328330.db2.gz CIWVCNKMWZAJDU-KRWDZBQOSA-N 2 0 347.507 2.451 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160869690 1320298121 /nfs/dbraw/zinc/29/81/21/1320298121.db2.gz RKQKIKPIIUIDMD-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001162906508 1320985283 /nfs/dbraw/zinc/98/52/83/1320985283.db2.gz MTBHBBMDDOTZDW-ICSRJNTNSA-N 2 0 341.499 2.011 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425718 1321717255 /nfs/dbraw/zinc/71/72/55/1321717255.db2.gz SYRDTNBZEHGCMN-CYBMUJFWSA-N 2 0 334.302 2.111 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203739927 1321951608 /nfs/dbraw/zinc/95/16/08/1321951608.db2.gz AHEGIVZFOMVYKP-MSOLQXFVSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952537 1323739012 /nfs/dbraw/zinc/73/90/12/1323739012.db2.gz SYEDGWKVZGUNOG-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334122 1324433069 /nfs/dbraw/zinc/43/30/69/1324433069.db2.gz FVQBXIGOWRYUCG-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP N#Cc1cccc(CCC[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001208850893 1324689659 /nfs/dbraw/zinc/68/96/59/1324689659.db2.gz NBHSSGYEASEDSK-UHFFFAOYSA-N 2 0 326.488 2.204 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001341717735 1337296621 /nfs/dbraw/zinc/29/66/21/1337296621.db2.gz VSKFRAGITGQEOO-MSOLQXFVSA-N 2 0 339.524 2.245 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100460209 1338397161 /nfs/dbraw/zinc/39/71/61/1338397161.db2.gz UOWGPWNRVUJSFI-UHFFFAOYSA-N 2 0 341.499 2.253 20 30 EEEDRP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001574866579 1343707140 /nfs/dbraw/zinc/70/71/40/1343707140.db2.gz IOURYTGZUWSWRQ-IRXDYDNUSA-N 2 0 344.507 2.201 20 30 EEEDRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001577078376 1344087690 /nfs/dbraw/zinc/08/76/90/1344087690.db2.gz YKAOIOBNTXRJTP-SHYRYGCCSA-N 2 0 341.459 2.182 20 30 EEEDRP C#CCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001673079541 1356644672 /nfs/dbraw/zinc/64/46/72/1356644672.db2.gz FGYMHSNUBFOKQG-LJQANCHMSA-N 2 0 327.472 2.024 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001372674643 1376131265 /nfs/dbraw/zinc/13/12/65/1376131265.db2.gz VFIHCAXVZLZQPF-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001376568497 1378601090 /nfs/dbraw/zinc/60/10/90/1378601090.db2.gz DATNSSIJFDMILE-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001390474422 1388647485 /nfs/dbraw/zinc/64/74/85/1388647485.db2.gz DRKIBMJOMJOYSM-AWEZNQCLSA-N 2 0 348.466 2.270 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670368 1381330704 /nfs/dbraw/zinc/33/07/04/1381330704.db2.gz NNYPNFWITQNRSE-HUUCEWRRSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[C@@H](C(=O)NCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1)[NH+](C)C ZINC001391201683 1389127735 /nfs/dbraw/zinc/12/77/35/1389127735.db2.gz SKLYOZNDZGXHPO-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001392183926 1389873894 /nfs/dbraw/zinc/87/38/94/1389873894.db2.gz SMMQVJRXMCWHMH-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752836911 1406466690 /nfs/dbraw/zinc/46/66/90/1406466690.db2.gz PYVGBZMPXILRLS-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C[N@H+](CC(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001398404334 1392470708 /nfs/dbraw/zinc/47/07/08/1392470708.db2.gz KPTSWZOCHMCKPV-LJQANCHMSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401268086 1397102164 /nfs/dbraw/zinc/10/21/64/1397102164.db2.gz CNKRHIFAJNLTHV-RTBURBONSA-N 2 0 342.487 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595447 1397465425 /nfs/dbraw/zinc/46/54/25/1397465425.db2.gz FVZUBVVGZBJFHM-WMLDXEAASA-N 2 0 348.516 2.336 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001402066448 1397744383 /nfs/dbraw/zinc/74/43/83/1397744383.db2.gz RGDRTXWHHBTGFL-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001402434213 1397998188 /nfs/dbraw/zinc/99/81/88/1397998188.db2.gz RPNQBGCNQPVPGW-UONOGXRCSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1 ZINC001402575759 1398066963 /nfs/dbraw/zinc/06/69/63/1398066963.db2.gz SKIRBQWUWHWIMW-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001403045880 1398321383 /nfs/dbraw/zinc/32/13/83/1398321383.db2.gz SZDADUPFCZQCTE-UHFFFAOYSA-N 2 0 327.900 2.440 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001425876746 1401787264 /nfs/dbraw/zinc/78/72/64/1401787264.db2.gz FHZRANIWBZFCRP-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001425914294 1401801117 /nfs/dbraw/zinc/80/11/17/1401801117.db2.gz LWUJNSJALGRZCT-UONOGXRCSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CC1(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C[NH2+]C1 ZINC001574880215 1403527402 /nfs/dbraw/zinc/52/74/02/1403527402.db2.gz KMNVKGGMNVEACO-UHFFFAOYSA-N 2 0 339.483 2.201 20 30 EEEDRP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001755390177 1407398371 /nfs/dbraw/zinc/39/83/71/1407398371.db2.gz MLSSSADKKUBGDA-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755705453 1407757078 /nfs/dbraw/zinc/75/70/78/1407757078.db2.gz YXEJGFVGALVGEX-QUCCMNQESA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001167232707 757537943 /nfs/dbraw/zinc/53/79/43/757537943.db2.gz NGVHXTLDAMKKKK-UHFFFAOYSA-N 2 0 341.499 2.304 20 30 EEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256945 757740732 /nfs/dbraw/zinc/74/07/32/757740732.db2.gz XFGQWXQEWLTCBO-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203203652 759715178 /nfs/dbraw/zinc/71/51/78/759715178.db2.gz QWHITKVHYJOSDN-IRXDYDNUSA-N 2 0 331.504 2.149 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448092 760371005 /nfs/dbraw/zinc/37/10/05/760371005.db2.gz NOVQMYCQJCSJIK-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cncc3C)CC2)CC1 ZINC001075455856 760777570 /nfs/dbraw/zinc/77/75/70/760777570.db2.gz SBTMKFBXPAFDIN-SFHVURJKSA-N 2 0 342.487 2.165 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001104775417 765267391 /nfs/dbraw/zinc/26/73/91/765267391.db2.gz FOLZKXLYQBFZBA-UMVBOHGHSA-N 2 0 338.883 2.415 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530368 782631501 /nfs/dbraw/zinc/63/15/01/782631501.db2.gz RAXDAZQCTSBAAF-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560506 770356821 /nfs/dbraw/zinc/35/68/21/770356821.db2.gz ZMXMRCALBBWCLG-LSDHHAIUSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001105412835 783025107 /nfs/dbraw/zinc/02/51/07/783025107.db2.gz DPQPVXQKGADBSI-SBHAEUEKSA-N 2 0 341.499 2.463 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094353 777424740 /nfs/dbraw/zinc/42/47/40/777424740.db2.gz XYCFBVJLGWTSHB-RBUKOAKNSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772456 778173002 /nfs/dbraw/zinc/17/30/02/778173002.db2.gz VXXCCXOYYOUMNG-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981959047 778665542 /nfs/dbraw/zinc/66/55/42/778665542.db2.gz WWCRDIXMXZEXCI-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982012600 778863121 /nfs/dbraw/zinc/86/31/21/778863121.db2.gz AWNGXHWWVIJGDQ-IBGZPJMESA-N 2 0 337.483 2.309 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296655 779613686 /nfs/dbraw/zinc/61/36/86/779613686.db2.gz WVTBVEMSWKVUBB-SESVDKBCSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122383 780871192 /nfs/dbraw/zinc/87/11/92/780871192.db2.gz KKWOGWWJPLDTOG-KFWWJZLASA-N 2 0 347.425 2.416 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164234 781799374 /nfs/dbraw/zinc/79/93/74/781799374.db2.gz HVIQAQTWWVWNER-RBSFLKMASA-N 2 0 347.425 2.109 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)CCCC1 ZINC001131835065 783335297 /nfs/dbraw/zinc/33/52/97/783335297.db2.gz MNDNFKRVYPDKOE-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCC1 ZINC001131835258 783335875 /nfs/dbraw/zinc/33/58/75/783335875.db2.gz QZTORIBXLHBCHV-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820092 783910367 /nfs/dbraw/zinc/91/03/67/783910367.db2.gz WRGJHVPMYIUGFM-ZBFHGGJFSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135743602 784352835 /nfs/dbraw/zinc/35/28/35/784352835.db2.gz MTJKEQXQTGEWNU-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857326 784638177 /nfs/dbraw/zinc/63/81/77/784638177.db2.gz GTRXGEZLBDCXDK-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857664 784640368 /nfs/dbraw/zinc/64/03/68/784640368.db2.gz MDMGRSHQYIDXPU-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861960 784653118 /nfs/dbraw/zinc/65/31/18/784653118.db2.gz ZQGNBZRHQDPEAR-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997785815 791081499 /nfs/dbraw/zinc/08/14/99/791081499.db2.gz FDSHGCHHYBOGPP-PKOBYXMFSA-N 2 0 333.520 2.489 20 30 EEEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818984605 785351044 /nfs/dbraw/zinc/35/10/44/785351044.db2.gz JBMPSCHVJQQPPH-LJQANCHMSA-N 2 0 339.439 2.322 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1(C)C ZINC000996190576 786106375 /nfs/dbraw/zinc/10/63/75/786106375.db2.gz LSPUAVVJEUTYLO-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435798 787236787 /nfs/dbraw/zinc/23/67/87/787236787.db2.gz APSIXBHQPJYEQF-QWFCFKBJSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821363 787426834 /nfs/dbraw/zinc/42/68/34/787426834.db2.gz OLWZNIXIGDGKJY-PKOBYXMFSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911752553 787689364 /nfs/dbraw/zinc/68/93/64/787689364.db2.gz WHWQXOOAUHJNOZ-ZBFHGGJFSA-N 2 0 345.443 2.218 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996857265 787832338 /nfs/dbraw/zinc/83/23/38/787832338.db2.gz MITWDZCNWMBTQB-INIZCTEOSA-N 2 0 325.884 2.194 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996994821 788390079 /nfs/dbraw/zinc/39/00/79/788390079.db2.gz KCRHPXDKXDOHJH-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997186878 789381996 /nfs/dbraw/zinc/38/19/96/789381996.db2.gz NDVCBNSYRRKISZ-OAHLLOKOSA-N 2 0 338.455 2.496 20 30 EEEDRP C#CCN1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000923584749 789827892 /nfs/dbraw/zinc/82/78/92/789827892.db2.gz XDMJSOBFIZRWRP-LJQANCHMSA-N 2 0 325.456 2.110 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005685 791817573 /nfs/dbraw/zinc/81/75/73/791817573.db2.gz HRSQCFWVNHBKBC-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147647381 791897537 /nfs/dbraw/zinc/89/75/37/791897537.db2.gz SXXABAIZBHKFOR-INIZCTEOSA-N 2 0 325.472 2.167 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147984836 792108209 /nfs/dbraw/zinc/10/82/09/792108209.db2.gz APSHCKWYUQJCFH-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403322 792938565 /nfs/dbraw/zinc/93/85/65/792938565.db2.gz ILFPOMVVSNUBEY-RCCFBDPRSA-N 2 0 337.508 2.031 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](CCC)CC3)CC1 ZINC001086958498 793105261 /nfs/dbraw/zinc/10/52/61/793105261.db2.gz SRAUPBVWQMDOLH-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992297645 793563233 /nfs/dbraw/zinc/56/32/33/793563233.db2.gz JQWOHYJMAUPVAG-NLWGTHIKSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190850 793653347 /nfs/dbraw/zinc/65/33/47/793653347.db2.gz YJXLQNMSGPAEIW-SBHAEUEKSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092651107 794178433 /nfs/dbraw/zinc/17/84/33/794178433.db2.gz IJPJENHEHFWWPK-GDBMZVCRSA-N 2 0 333.501 2.131 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001079199897 794447453 /nfs/dbraw/zinc/44/74/53/794447453.db2.gz UWHYXXJSCBZQJX-KSZLIROESA-N 2 0 333.451 2.236 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@H](C)CC)CC3)CC1 ZINC000992511248 794459484 /nfs/dbraw/zinc/45/94/84/794459484.db2.gz QMJSUDISYUXLAD-LMNJBCLMSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999668184 794802437 /nfs/dbraw/zinc/80/24/37/794802437.db2.gz NJNGSNOWCFTFMX-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997249 795304226 /nfs/dbraw/zinc/30/42/26/795304226.db2.gz VCIAGKUWJGVMJG-LPHOPBHVSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC001127317114 795358643 /nfs/dbraw/zinc/35/86/43/795358643.db2.gz JYKQRYAWNVWOCC-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125858 796669571 /nfs/dbraw/zinc/66/95/71/796669571.db2.gz TWRZXXFNUFBCSI-ZCNNSNEGSA-N 2 0 341.499 2.487 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081126812 796670225 /nfs/dbraw/zinc/67/02/25/796670225.db2.gz GILKDOZQESCHRA-HSALFYBXSA-N 2 0 339.483 2.078 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171872301 796760518 /nfs/dbraw/zinc/76/05/18/796760518.db2.gz BPYZBTDRXLPFJJ-BOHSKOPMSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993577208 796805677 /nfs/dbraw/zinc/80/56/77/796805677.db2.gz PUZWRFHMODJRNB-GDBMZVCRSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078749851 796924214 /nfs/dbraw/zinc/92/42/14/796924214.db2.gz QFHBTTJSXAHDGM-ZWKOTPCHSA-N 2 0 325.456 2.012 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@H](OC)C1 ZINC001212442607 797095535 /nfs/dbraw/zinc/09/55/35/797095535.db2.gz RKLCMMOFPBWRGC-FGTMMUONSA-N 2 0 348.491 2.252 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875113 797524733 /nfs/dbraw/zinc/52/47/33/797524733.db2.gz MUPZLXCTAGEBCE-NSHGMRRFSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543150 798004476 /nfs/dbraw/zinc/00/44/76/798004476.db2.gz HNGGYLSEWAQOQL-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175663852 798189840 /nfs/dbraw/zinc/18/98/40/798189840.db2.gz KVMGZQGEMMGBCX-QGZVFWFLSA-N 2 0 349.523 2.289 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC001031435145 798403179 /nfs/dbraw/zinc/40/31/79/798403179.db2.gz QWGDDMVVRKCQLL-ROUUACIJSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585138 806705395 /nfs/dbraw/zinc/70/53/95/806705395.db2.gz BUHHJKQJUABQKI-ICSRJNTNSA-N 2 0 331.504 2.104 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178534996 799512408 /nfs/dbraw/zinc/51/24/08/799512408.db2.gz FERJAQQFUQOGAL-ROUUACIJSA-N 2 0 337.508 2.082 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001179986944 800199959 /nfs/dbraw/zinc/19/99/59/800199959.db2.gz IFLNENKKYIAPAQ-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2cncn2C1 ZINC001085250355 800287420 /nfs/dbraw/zinc/28/74/20/800287420.db2.gz QQLNPVMOFCUTLP-FVQBIDKESA-N 2 0 336.867 2.215 20 30 EEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001181475852 800811623 /nfs/dbraw/zinc/81/16/23/800811623.db2.gz DHALXYZIWFHACD-IMFGXOCKSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCC2)CC1 ZINC001085984467 801849566 /nfs/dbraw/zinc/84/95/66/801849566.db2.gz DYTRIVXQFDVUAF-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004461808 802133271 /nfs/dbraw/zinc/13/32/71/802133271.db2.gz ARTVAQJDMKLBCT-MOPGFXCFSA-N 2 0 333.520 2.299 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946643054 802553340 /nfs/dbraw/zinc/55/33/40/802553340.db2.gz ZKTOLGGOBNLHKC-WCIQWLHISA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287370 803186644 /nfs/dbraw/zinc/18/66/44/803186644.db2.gz RQBPCOWWDIDNMU-IBGZPJMESA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001108787333 804494901 /nfs/dbraw/zinc/49/49/01/804494901.db2.gz PIYUONOXCZXYRR-BZSNNMDCSA-N 2 0 349.519 2.033 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130711625 811960994 /nfs/dbraw/zinc/96/09/94/811960994.db2.gz YHTCJXOIWWOMEC-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CC2)s1 ZINC001446293184 1092454376 /nfs/dbraw/zinc/45/43/76/1092454376.db2.gz FREOOJJJHOVGGS-UHFFFAOYSA-N 2 0 346.500 2.234 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439675472 1092616199 /nfs/dbraw/zinc/61/61/99/1092616199.db2.gz HWXQOCYXBGTTHA-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001444128303 1098664776 /nfs/dbraw/zinc/66/47/76/1098664776.db2.gz HDTSMMMCHHWDND-ICSRJNTNSA-N 2 0 342.487 2.273 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001480359262 1100131027 /nfs/dbraw/zinc/13/10/27/1100131027.db2.gz LHTSRZYSLGWVEE-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001447339896 1102477700 /nfs/dbraw/zinc/47/77/00/1102477700.db2.gz IWLBUHZLFBOSGY-AWEZNQCLSA-N 2 0 346.313 2.160 20 30 EEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978741 240317077 /nfs/dbraw/zinc/31/70/77/240317077.db2.gz KLCGPSDTWJEKAK-MBGYTDRXSA-N 2 0 346.450 2.008 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000491808540 533100411 /nfs/dbraw/zinc/10/04/11/533100411.db2.gz WFDGCRNGZWWLKD-OALUTQOASA-N 2 0 348.535 2.238 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000267221962 256039076 /nfs/dbraw/zinc/03/90/76/256039076.db2.gz SURANQPMRBUTDI-UHFFFAOYSA-N 2 0 341.484 2.317 20 30 EEEDRP COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000369114186 166193690 /nfs/dbraw/zinc/19/36/90/166193690.db2.gz ZVWWZYLFKSWFDK-APWZRJJASA-N 2 0 342.487 2.025 20 30 EEEDRP COc1cc(C#N)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000120650234 463024031 /nfs/dbraw/zinc/02/40/31/463024031.db2.gz WGDLDZLYGUKHRC-UHFFFAOYSA-N 2 0 329.444 2.111 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1cc(Cl)cn1C ZINC000158778408 463251267 /nfs/dbraw/zinc/25/12/67/463251267.db2.gz XWFLCRDGWLIZQH-CYBMUJFWSA-N 2 0 337.899 2.170 20 30 EEEDRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161780295 463456245 /nfs/dbraw/zinc/45/62/45/463456245.db2.gz ZKIVZJLEDSQYPR-UHFFFAOYSA-N 2 0 327.476 2.384 20 30 EEEDRP C[NH+]=C(NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)NC1CC1 ZINC000264060566 464278350 /nfs/dbraw/zinc/27/83/50/464278350.db2.gz PKCGMCFHKYSPNQ-UHFFFAOYSA-N 2 0 330.476 2.235 20 30 EEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(CC)CC2)c1 ZINC000264074678 464279295 /nfs/dbraw/zinc/27/92/95/464279295.db2.gz FHXFKWZNZOCMDZ-MRXNPFEDSA-N 2 0 331.508 2.249 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)CN1CC[NH+](C)CC1 ZINC000237368097 464309002 /nfs/dbraw/zinc/30/90/02/464309002.db2.gz IJGHFLASAYEMGN-SFHVURJKSA-N 2 0 343.519 2.010 20 30 EEEDRP CN(C(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000273370315 464713973 /nfs/dbraw/zinc/71/39/73/464713973.db2.gz VICQQSCWVMRUDT-UHFFFAOYSA-N 2 0 349.910 2.261 20 30 EEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203547 464737206 /nfs/dbraw/zinc/73/72/06/464737206.db2.gz LNIHODBJPBMHBR-QZTJIDSGSA-N 2 0 327.476 2.266 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000249782080 464915266 /nfs/dbraw/zinc/91/52/66/464915266.db2.gz ZZACLGMUBMBJLS-DLBZAZTESA-N 2 0 327.472 2.146 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C(F)(F)F)cs1 ZINC000267430407 464932217 /nfs/dbraw/zinc/93/22/17/464932217.db2.gz MLIKLINISYTDBP-JTQLQIEISA-N 2 0 349.426 2.093 20 30 EEEDRP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)C1=O ZINC000420316021 467352448 /nfs/dbraw/zinc/35/24/48/467352448.db2.gz SMOYHCXEDYMKLL-AQNXPRMDSA-N 2 0 341.499 2.445 20 30 EEEDRP C(#CCN1CCOC2(CCCC2)C1)CN1CCOC2(CCCC2)C1 ZINC000560159890 468770359 /nfs/dbraw/zinc/77/03/59/468770359.db2.gz WBGLCOOVLLJGFO-UHFFFAOYSA-N 2 0 332.488 2.280 20 30 EEEDRP CN(CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC[NH+](C)C ZINC000598918560 469048521 /nfs/dbraw/zinc/04/85/21/469048521.db2.gz MLFAXUUBVLRTSP-UHFFFAOYSA-N 2 0 343.519 2.000 20 30 EEEDRP C[C@@H](CC#N)NCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862117 469126730 /nfs/dbraw/zinc/12/67/30/469126730.db2.gz LBIMBODHRNIDIM-YOEHRIQHSA-N 2 0 348.878 2.485 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660705919 471453504 /nfs/dbraw/zinc/45/35/04/471453504.db2.gz XSJNAOZHJVHTED-KRWDZBQOSA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021207 782134223 /nfs/dbraw/zinc/13/42/23/782134223.db2.gz CJUFPXJPCBVXMV-UONOGXRCSA-N 2 0 344.297 2.008 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371529370 528810638 /nfs/dbraw/zinc/81/06/38/528810638.db2.gz RUYUXKNMDBJCET-UHFFFAOYSA-N 2 0 328.460 2.001 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000764629685 577740371 /nfs/dbraw/zinc/74/03/71/577740371.db2.gz MQWJFQWRDDIQHA-HOTGVXAUSA-N 2 0 329.488 2.377 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396038 674606904 /nfs/dbraw/zinc/60/69/04/674606904.db2.gz BTWXMDFHTPJGDS-IYARVYRRSA-N 2 0 345.406 2.257 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692307 676350376 /nfs/dbraw/zinc/35/03/76/676350376.db2.gz SZXYXRJKTAASGF-WOJBJXKFSA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700006 676358924 /nfs/dbraw/zinc/35/89/24/676358924.db2.gz MDIYYOBLIBYRKG-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC(=C)C)CC[C@H]32)CC1 ZINC001021739685 676398410 /nfs/dbraw/zinc/39/84/10/676398410.db2.gz LWIDPWZXKYTSMU-WOJBJXKFSA-N 2 0 343.515 2.221 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891521444 676684346 /nfs/dbraw/zinc/68/43/46/676684346.db2.gz XVDXLRSPWHKQCI-IBGZPJMESA-N 2 0 336.524 2.433 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332230 678556072 /nfs/dbraw/zinc/55/60/72/678556072.db2.gz OPPOQZCCGVDGER-LSDHHAIUSA-N 2 0 346.500 2.137 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001023273606 679222950 /nfs/dbraw/zinc/22/29/50/679222950.db2.gz OEZKKYBPPHUYKQ-WMLDXEAASA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750363 681412980 /nfs/dbraw/zinc/41/29/80/681412980.db2.gz PTWWRCDXTZDFBN-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC2)CC1 ZINC001024813304 681466407 /nfs/dbraw/zinc/46/64/07/681466407.db2.gz YVNKHSSJCMVXJJ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618553 681806406 /nfs/dbraw/zinc/80/64/06/681806406.db2.gz XGHDUGTYXIBOMA-SESVDKBCSA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001026464493 684677849 /nfs/dbraw/zinc/67/78/49/684677849.db2.gz JCWJHRXCNWXKKE-CTWPCTMYSA-N 2 0 340.471 2.169 20 30 EEEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001026526237 684720069 /nfs/dbraw/zinc/72/00/69/684720069.db2.gz VGQIROYHONSIJZ-UHFFFAOYSA-N 2 0 325.416 2.084 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165299 684997989 /nfs/dbraw/zinc/99/79/89/684997989.db2.gz QZLIFWYGZSXVES-QGZVFWFLSA-N 2 0 326.444 2.467 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)CC1 ZINC001027693584 693999777 /nfs/dbraw/zinc/99/97/77/693999777.db2.gz GCKHQOZZGMGHPO-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(CC)CC)CC1 ZINC001029597554 686470682 /nfs/dbraw/zinc/47/06/82/686470682.db2.gz XOSSAYXFUDZSLK-BGYRXZFFSA-N 2 0 345.531 2.443 20 30 EEEDRP CC[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262783434 688481169 /nfs/dbraw/zinc/48/11/69/688481169.db2.gz LXWYKTSVJJWCGZ-INIZCTEOSA-N 2 0 347.532 2.214 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988956999 691323848 /nfs/dbraw/zinc/32/38/48/691323848.db2.gz CUJCRKBMHPDQIE-MAUKXSAKSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040245699 692637389 /nfs/dbraw/zinc/63/73/89/692637389.db2.gz WMDSPLYLJRVGMH-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880049 1192633151 /nfs/dbraw/zinc/63/31/51/1192633151.db2.gz GYODVUIZWFHNNV-HAGHYFMRSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC001088430408 1186867919 /nfs/dbraw/zinc/86/79/19/1186867919.db2.gz OTFGXJZVZJSGOA-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC(=C)C)C2)CC1 ZINC001088430726 1186868001 /nfs/dbraw/zinc/86/80/01/1186868001.db2.gz WUTHONIGWKVHNP-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001105427050 1186938038 /nfs/dbraw/zinc/93/80/38/1186938038.db2.gz BHOVFBXKENJSRP-SBHAEUEKSA-N 2 0 341.499 2.319 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001105429240 1187056531 /nfs/dbraw/zinc/05/65/31/1187056531.db2.gz RVDQJVRAFNWFSC-IRFCIJBXSA-N 2 0 341.499 2.463 20 30 EEEDRP C[NH+](C)C1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001168324027 1188293067 /nfs/dbraw/zinc/29/30/67/1188293067.db2.gz GUIBWGBUBFNESF-UHFFFAOYSA-N 2 0 327.476 2.338 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)CC1 ZINC001483772838 1191010510 /nfs/dbraw/zinc/01/05/10/1191010510.db2.gz DAJXMFINQIMODX-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001485041456 1191622878 /nfs/dbraw/zinc/62/28/78/1191622878.db2.gz LZSOIUWEDSOYHC-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccc(C#N)s1 ZINC001486178762 1193716617 /nfs/dbraw/zinc/71/66/17/1193716617.db2.gz DWODVYZEAOROSD-YOEHRIQHSA-N 2 0 348.516 2.431 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001409959857 1194349284 /nfs/dbraw/zinc/34/92/84/1194349284.db2.gz JIIVGVKPZGABDA-HNAYVOBHSA-N 2 0 342.487 2.081 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139185 1195811959 /nfs/dbraw/zinc/81/19/59/1195811959.db2.gz SJSGOLLJAIWSFR-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248904 1195982551 /nfs/dbraw/zinc/98/25/51/1195982551.db2.gz HEWVHHVJRSHNAM-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241143 1195991767 /nfs/dbraw/zinc/99/17/67/1195991767.db2.gz PBYFHNQHPROMQQ-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034399315 1196189826 /nfs/dbraw/zinc/18/98/26/1196189826.db2.gz SHWXGZXWXXHBRM-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001134762533 1199798028 /nfs/dbraw/zinc/79/80/28/1199798028.db2.gz AZDJLKCPDYQYAA-INIZCTEOSA-N 2 0 334.489 2.088 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001132737787 1199965540 /nfs/dbraw/zinc/96/55/40/1199965540.db2.gz QBIAYKSUNFMFTC-INIZCTEOSA-N 2 0 346.450 2.025 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887757 1200154370 /nfs/dbraw/zinc/15/43/70/1200154370.db2.gz HUWGTQIVSBZGRT-DZGCQCFKSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941870 1200218061 /nfs/dbraw/zinc/21/80/61/1200218061.db2.gz RNFOEFNRMMKJIL-DLBZAZTESA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064701 1200386847 /nfs/dbraw/zinc/38/68/47/1200386847.db2.gz OZDOXZMFJUMDHL-WBVHZDCISA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165336 1200538586 /nfs/dbraw/zinc/53/85/86/1200538586.db2.gz FLUQNKZAWKEMEK-LPHOPBHVSA-N 2 0 327.472 2.069 20 30 EEEDRP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001276096971 1205779775 /nfs/dbraw/zinc/77/97/75/1205779775.db2.gz PQZPFYSTTAEOEG-OYRHEFFESA-N 2 0 325.500 2.373 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC000949248160 1209592982 /nfs/dbraw/zinc/59/29/82/1209592982.db2.gz NVWQLLYAAVEEBM-HDICACEKSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000949473298 1209704662 /nfs/dbraw/zinc/70/46/62/1209704662.db2.gz ZJHSXXKKDZAGLV-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633869 1215278536 /nfs/dbraw/zinc/27/85/36/1215278536.db2.gz RUECWRLZIKTJAW-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962730971 1216027740 /nfs/dbraw/zinc/02/77/40/1216027740.db2.gz RATMPJDUQKZNMS-BWTSREIZSA-N 2 0 327.472 2.374 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220271 1217094977 /nfs/dbraw/zinc/09/49/77/1217094977.db2.gz KICZACFPSBFTFO-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961373258 1217162495 /nfs/dbraw/zinc/16/24/95/1217162495.db2.gz NBQJIBKCJFNDJX-BHIYHBOVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961440142 1217190988 /nfs/dbraw/zinc/19/09/88/1217190988.db2.gz JYTQYOUTYXFJKR-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358173 1217552510 /nfs/dbraw/zinc/55/25/10/1217552510.db2.gz OUQZDDPLYXEOAB-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365776 1217561995 /nfs/dbraw/zinc/56/19/95/1217561995.db2.gz HTGFZODFLKNJHS-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1CC ZINC001037885186 1219969966 /nfs/dbraw/zinc/96/99/66/1219969966.db2.gz ZBKNQOGQEYMJOS-NVXWUHKLSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(C)C)[C@H](CC)C2)CC1 ZINC001037983813 1220881319 /nfs/dbraw/zinc/88/13/19/1220881319.db2.gz OXHOXHBYTLMHBI-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968681957 1221487742 /nfs/dbraw/zinc/48/77/42/1221487742.db2.gz NMWGGQOFNKPXJL-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887280 1221646342 /nfs/dbraw/zinc/64/63/42/1221646342.db2.gz AEAFFBYVQLVOGH-MOPGFXCFSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000968998461 1221728576 /nfs/dbraw/zinc/72/85/76/1221728576.db2.gz WYWMWRSXNKZNHB-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016680841 1226769288 /nfs/dbraw/zinc/76/92/88/1226769288.db2.gz DKVZSHVIXMUKFA-QGZVFWFLSA-N 2 0 331.504 2.409 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@@H](C)CC)CC3)CC1 ZINC001016987749 1227016301 /nfs/dbraw/zinc/01/63/01/1227016301.db2.gz ZYIZYIHXZQPBER-PKOBYXMFSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC001019815154 1229360843 /nfs/dbraw/zinc/36/08/43/1229360843.db2.gz AESHVGANJOQQKJ-SFHVURJKSA-N 2 0 345.512 2.092 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153965 1230373413 /nfs/dbraw/zinc/37/34/13/1230373413.db2.gz LWXCKESWQBYBFW-RBUKOAKNSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201256 1231098291 /nfs/dbraw/zinc/09/82/91/1231098291.db2.gz LSDYZCPEOFQCRO-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769469 1231684836 /nfs/dbraw/zinc/68/48/36/1231684836.db2.gz PWFRSSYVUXJWQJ-FQEVSTJZSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776470 1231688802 /nfs/dbraw/zinc/68/88/02/1231688802.db2.gz BUBURGLUIANTHN-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270772 1231995182 /nfs/dbraw/zinc/99/51/82/1231995182.db2.gz SECOOCYZJPVUSX-HKUYNNGSSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC001044334902 1232878556 /nfs/dbraw/zinc/87/85/56/1232878556.db2.gz AQNUEKMOHNVBMN-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1ncc[nH]1)C2 ZINC001045935653 1234187854 /nfs/dbraw/zinc/18/78/54/1234187854.db2.gz PQGPRIWAQQCCSJ-IBGZPJMESA-N 2 0 328.460 2.070 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937532 1234190661 /nfs/dbraw/zinc/19/06/61/1234190661.db2.gz FVTFUDXFXLQBPF-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056833 1237032561 /nfs/dbraw/zinc/03/25/61/1237032561.db2.gz BGJHCPKCMJAPOA-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CC1 ZINC001048624081 1238128102 /nfs/dbraw/zinc/12/81/02/1238128102.db2.gz FRGOYSMIOZYPOX-WGSAOQKQSA-N 2 0 345.531 2.254 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911137 1239233320 /nfs/dbraw/zinc/23/33/20/1239233320.db2.gz WFYPMDSARKCHPY-CALCHBBNSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000152230 1240002571 /nfs/dbraw/zinc/00/25/71/1240002571.db2.gz BCDDZTBTILZRSA-SJLPKXTDSA-N 2 0 331.504 2.408 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194173 1240050264 /nfs/dbraw/zinc/05/02/64/1240050264.db2.gz UVZZZYODNCVDOO-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165116 1240162068 /nfs/dbraw/zinc/16/20/68/1240162068.db2.gz HOHWWBZWKYFQGF-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791092 1242195008 /nfs/dbraw/zinc/19/50/08/1242195008.db2.gz PQRLKMJNOVMJET-WOJBJXKFSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050523497 1243778586 /nfs/dbraw/zinc/77/85/86/1243778586.db2.gz FIYBXBNUHVGCBM-HUUCEWRRSA-N 2 0 325.884 2.004 20 30 EEEDRP C=CC[N@@H+]1CCc2c(CNC(=O)C34CCC[NH+]3CCC4)cccc2C1 ZINC001051292081 1245489139 /nfs/dbraw/zinc/48/91/39/1245489139.db2.gz KRYBLMGJHUAHBP-UHFFFAOYSA-N 2 0 339.483 2.475 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052236 1245776504 /nfs/dbraw/zinc/77/65/04/1245776504.db2.gz STEBUPATQVTGBL-MOPGFXCFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001101550705 1245955815 /nfs/dbraw/zinc/95/58/15/1245955815.db2.gz WBBGCXSIWJNGMS-MOPGFXCFSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141592 1247505453 /nfs/dbraw/zinc/50/54/53/1247505453.db2.gz MPANBHZNFYJVEW-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001074878450 1257186574 /nfs/dbraw/zinc/18/65/74/1257186574.db2.gz WCXPZEQQWIZZSY-KEYYUXOJSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960012 1257876245 /nfs/dbraw/zinc/87/62/45/1257876245.db2.gz QBVMSNAFSJRUFR-BJLQDIEVSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257504 1258043353 /nfs/dbraw/zinc/04/33/53/1258043353.db2.gz GFODJDBVAUGPPG-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099301543 1258070901 /nfs/dbraw/zinc/07/09/01/1258070901.db2.gz WMDHGLMGRUVHEA-MGPQQGTHSA-N 2 0 335.414 2.128 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099519451 1258188028 /nfs/dbraw/zinc/18/80/28/1258188028.db2.gz HXPFNUZRZNCCAP-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200893723 1287210525 /nfs/dbraw/zinc/21/05/25/1287210525.db2.gz FSGJALUXHGJPTB-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185516858 1278684334 /nfs/dbraw/zinc/68/43/34/1278684334.db2.gz NXNCWHBIMLOPPZ-JKSUJKDBSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(C)C)[C@@H](C)C2)CC1 ZINC001185730898 1278767376 /nfs/dbraw/zinc/76/73/76/1278767376.db2.gz ORTCQHONWVBTNR-HKUYNNGSSA-N 2 0 333.520 2.062 20 30 EEEDRP Cc1cc(C#N)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001195419914 1283572653 /nfs/dbraw/zinc/57/26/53/1283572653.db2.gz CJNYPWXUJQEAPK-UHFFFAOYSA-N 2 0 330.476 2.212 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001197705610 1284763641 /nfs/dbraw/zinc/76/36/41/1284763641.db2.gz BCSNMPCUDPNFJZ-UHFFFAOYSA-N 2 0 346.450 2.073 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723341 1284776681 /nfs/dbraw/zinc/77/66/81/1284776681.db2.gz GJJZVCYUTAPHRG-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743087 1285316089 /nfs/dbraw/zinc/31/60/89/1285316089.db2.gz UOGODQVMFVTXRX-JFIYKMOQSA-N 2 0 345.487 2.358 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCCO1 ZINC001201849639 1289787266 /nfs/dbraw/zinc/78/72/66/1289787266.db2.gz XPAGRZQVAPTTAG-MOPGFXCFSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219471 1295940700 /nfs/dbraw/zinc/94/07/00/1295940700.db2.gz UOWKSNZILMJDDR-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213441679 1296033169 /nfs/dbraw/zinc/03/31/69/1296033169.db2.gz CWAPATRNTLNNOL-RCCFBDPRSA-N 2 0 339.524 2.114 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868041 1296201981 /nfs/dbraw/zinc/20/19/81/1296201981.db2.gz HXMOPXVMJVLIKR-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850444 1296619472 /nfs/dbraw/zinc/61/94/72/1296619472.db2.gz WRTWPOBDCMJKEY-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215558432 1296941271 /nfs/dbraw/zinc/94/12/71/1296941271.db2.gz SHUZSMZWDHBFBY-IEBWSBKVSA-N 2 0 329.488 2.174 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099173445 1298952397 /nfs/dbraw/zinc/95/23/97/1298952397.db2.gz WAIRIMHTXAFSAP-FPOVZHCZSA-N 2 0 339.483 2.356 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001224582984 1300658126 /nfs/dbraw/zinc/65/81/26/1300658126.db2.gz GLZAIEDSJRHGAY-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601802 1301274486 /nfs/dbraw/zinc/27/44/86/1301274486.db2.gz QFSZAALAVHAVHX-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174609 1302386685 /nfs/dbraw/zinc/38/66/85/1302386685.db2.gz UPPHOLWYKFRNKV-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)CC1 ZINC001230251979 1303128175 /nfs/dbraw/zinc/12/81/75/1303128175.db2.gz UHIPYMCMFOGIRB-AVTSYZAUSA-N 2 0 337.895 2.101 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591672 1303299345 /nfs/dbraw/zinc/29/93/45/1303299345.db2.gz GHYDUPZXPCWVNQ-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230717186 1303411645 /nfs/dbraw/zinc/41/16/45/1303411645.db2.gz SYJNNURYVNYDBI-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846338 1303497088 /nfs/dbraw/zinc/49/70/88/1303497088.db2.gz GCNJIFYADJHAJB-MJGOQNOKSA-N 2 0 344.503 2.164 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001111875944 1304039810 /nfs/dbraw/zinc/03/98/10/1304039810.db2.gz LTPPMJKSIBMTHI-BJLQDIEVSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001112442046 1304552133 /nfs/dbraw/zinc/55/21/33/1304552133.db2.gz HJMMBQKNTAOQKE-JXFKEZNVSA-N 2 0 336.439 2.108 20 30 EEEDRP Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](CC2CC[NH2+]CC2)C3)c1 ZINC001277824519 1304675279 /nfs/dbraw/zinc/67/52/79/1304675279.db2.gz UAIGMHWICCCEQX-QGZVFWFLSA-N 2 0 338.455 2.127 20 30 EEEDRP CC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277888619 1305021801 /nfs/dbraw/zinc/02/18/01/1305021801.db2.gz JXPLEKRYRDMXHG-HNNXBMFYSA-N 2 0 328.460 2.162 20 30 EEEDRP N#Cc1cc(-c2cccc(CN3CC[C@H]([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360937 1309313145 /nfs/dbraw/zinc/31/31/45/1309313145.db2.gz QADIPMWYWXKCSW-NRFANRHFSA-N 2 0 332.451 2.445 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001121183260 1309945375 /nfs/dbraw/zinc/94/53/75/1309945375.db2.gz HNIHFVMOBBUDIZ-HVEGKCCWSA-N 2 0 325.472 2.259 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)CCN1 ZINC001246140904 1310244849 /nfs/dbraw/zinc/24/48/49/1310244849.db2.gz OXHKGAHAHWXRMP-RVKKMQEKSA-N 2 0 328.435 2.125 20 30 EEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246519219 1310330644 /nfs/dbraw/zinc/33/06/44/1310330644.db2.gz NMKXTMMUBGSUDG-APWZRJJASA-N 2 0 342.487 2.199 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001151412700 1316527598 /nfs/dbraw/zinc/52/75/98/1316527598.db2.gz KGCPKXUBPNXQAR-UHFFFAOYSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154784879 1317310493 /nfs/dbraw/zinc/31/04/93/1317310493.db2.gz OCXKTTMQAXBDJT-MSOLQXFVSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001156051399 1317852804 /nfs/dbraw/zinc/85/28/04/1317852804.db2.gz JBFYFQCYFGXWKA-OAHLLOKOSA-N 2 0 327.432 2.284 20 30 EEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001158405396 1319223482 /nfs/dbraw/zinc/22/34/82/1319223482.db2.gz ROECKQLJGYSCPA-SJLPKXTDSA-N 2 0 330.476 2.253 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159328252 1319740574 /nfs/dbraw/zinc/74/05/74/1319740574.db2.gz RLEVJJWPDLOHJY-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001159837184 1320001922 /nfs/dbraw/zinc/00/19/22/1320001922.db2.gz BGRIEAPDFOMFAS-HNNXBMFYSA-N 2 0 348.516 2.194 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001161248520 1320433172 /nfs/dbraw/zinc/43/31/72/1320433172.db2.gz AZMXNKLFWZCIFY-SFHVURJKSA-N 2 0 349.519 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC(=C)C)CC2)CC1 ZINC001161946771 1320688513 /nfs/dbraw/zinc/68/85/13/1320688513.db2.gz CBKBKTWBPFMRQI-UHFFFAOYSA-N 2 0 329.488 2.046 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206857845 1323634111 /nfs/dbraw/zinc/63/41/11/1323634111.db2.gz SVGQWQYYKQYIPQ-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049872 1324288993 /nfs/dbraw/zinc/28/89/93/1324288993.db2.gz RRVUELFWNIFHJL-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001574487019 1343678598 /nfs/dbraw/zinc/67/85/98/1343678598.db2.gz XUJLHHLSXOJLPT-BBWFWOEESA-N 2 0 344.507 2.035 20 30 EEEDRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875634 1344312389 /nfs/dbraw/zinc/31/23/89/1344312389.db2.gz SPWGCEPYZVJPJP-HUUCEWRRSA-N 2 0 327.428 2.166 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001101591986 1371019790 /nfs/dbraw/zinc/01/97/90/1371019790.db2.gz GVEVJNNBUHUIIP-NRFANRHFSA-N 2 0 345.531 2.350 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366185178 1373825110 /nfs/dbraw/zinc/82/51/10/1373825110.db2.gz FKSBUUILGMCNIF-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001375493234 1377784481 /nfs/dbraw/zinc/78/44/81/1377784481.db2.gz JJLNMJJMVBVJGA-SJORKVTESA-N 2 0 347.890 2.323 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001376962192 1378874208 /nfs/dbraw/zinc/87/42/08/1378874208.db2.gz BIYJKKWJPQRAQN-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001378438171 1379963395 /nfs/dbraw/zinc/96/33/95/1379963395.db2.gz ISZXUUNHWSYWPZ-RBSFLKMASA-N 2 0 333.879 2.436 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001379866153 1380923127 /nfs/dbraw/zinc/92/31/27/1380923127.db2.gz DVMAGCTXVCXJGC-MOPGFXCFSA-N 2 0 342.487 2.129 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001381177929 1381547826 /nfs/dbraw/zinc/54/78/26/1381547826.db2.gz YJVOXNKHPHUCQD-GJZGRUSLSA-N 2 0 348.516 2.431 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001398677305 1394146715 /nfs/dbraw/zinc/14/67/15/1394146715.db2.gz DGUIJABQFWXRGJ-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401183719 1397015898 /nfs/dbraw/zinc/01/58/98/1397015898.db2.gz GBKZFEYBRMANDC-CQSZACIVSA-N 2 0 348.516 2.194 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001401189380 1397023532 /nfs/dbraw/zinc/02/35/32/1397023532.db2.gz RKPSPLFDIRZMDO-CQSZACIVSA-N 2 0 346.500 2.090 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001403235471 1398493702 /nfs/dbraw/zinc/49/37/02/1398493702.db2.gz CTCRCZNTGFPAOO-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001423022059 1400360583 /nfs/dbraw/zinc/36/05/83/1400360583.db2.gz PDPPVCKMMYVNEB-MSOLQXFVSA-N 2 0 346.450 2.022 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001423305344 1400510844 /nfs/dbraw/zinc/51/08/44/1400510844.db2.gz FFUMEKFTKIYKKU-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001755531454 1407596411 /nfs/dbraw/zinc/59/64/11/1407596411.db2.gz APUZPKJPDGFRFI-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121234330 1410217758 /nfs/dbraw/zinc/21/77/58/1410217758.db2.gz YHBQWMXRNLENAM-WZXTXQKWSA-N 2 0 331.504 2.290 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121232576 1410218113 /nfs/dbraw/zinc/21/81/13/1410218113.db2.gz FZQXIQGDSOAWNE-QAELIBMJSA-N 2 0 331.504 2.290 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461267 760927557 /nfs/dbraw/zinc/92/75/57/760927557.db2.gz ARWXNUXVGGYBAM-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167711038 764585746 /nfs/dbraw/zinc/58/57/46/764585746.db2.gz OQTBSTCQZSTSCL-GOSISDBHSA-N 2 0 327.472 2.189 20 30 EEEDRP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087423231 770082924 /nfs/dbraw/zinc/08/29/24/770082924.db2.gz PVMGIYBHARXVGX-AQNXPRMDSA-N 2 0 339.483 2.078 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181573 774015731 /nfs/dbraw/zinc/01/57/31/774015731.db2.gz FAYMQCJHRIXKFS-UFYCRDLUSA-N 2 0 339.483 2.212 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027943938 774779824 /nfs/dbraw/zinc/77/98/24/774779824.db2.gz PWMACOZTCZQZBW-MSOLQXFVSA-N 2 0 345.512 2.235 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444500 /nfs/dbraw/zinc/44/45/00/777444500.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 0 346.500 2.138 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400741 780012008 /nfs/dbraw/zinc/01/20/08/780012008.db2.gz IQZNZSRWZRXOAX-NRSPTQNISA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087443625 780278604 /nfs/dbraw/zinc/27/86/04/780278604.db2.gz WPRWKTRZFYXVMM-VAMGGRTRSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394295 781783249 /nfs/dbraw/zinc/78/32/49/781783249.db2.gz SRKNKHKKXTXRGF-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C(=O)OCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001168074079 783249413 /nfs/dbraw/zinc/24/94/13/783249413.db2.gz VNGGMTXTOMRLJA-UHFFFAOYSA-N 2 0 331.460 2.389 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001035040325 783598767 /nfs/dbraw/zinc/59/87/67/783598767.db2.gz ZHQJOUOVHJRCMY-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471204 783825186 /nfs/dbraw/zinc/82/51/86/783825186.db2.gz INTCYBYTIXULGL-SJORKVTESA-N 2 0 329.488 2.301 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184409 784020116 /nfs/dbraw/zinc/02/01/16/784020116.db2.gz JPXFZIJMMSONFK-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185453 784023288 /nfs/dbraw/zinc/02/32/88/784023288.db2.gz WGXHDPZGDUHUIR-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243954 784174604 /nfs/dbraw/zinc/17/46/04/784174604.db2.gz FMZHYLCURZZJPC-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882296 784666746 /nfs/dbraw/zinc/66/67/46/784666746.db2.gz KHPYJBOSJGMGBZ-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035817284 785168802 /nfs/dbraw/zinc/16/88/02/785168802.db2.gz DWXFHORYCULHSW-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996727079 787313437 /nfs/dbraw/zinc/31/34/37/787313437.db2.gz CTEGFKXYYAPGFD-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911752550 787689300 /nfs/dbraw/zinc/68/93/00/787689300.db2.gz WHWQXOOAUHJNOZ-GDBMZVCRSA-N 2 0 345.443 2.218 20 30 EEEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853925 789110006 /nfs/dbraw/zinc/11/00/06/789110006.db2.gz XZFJZBOPJPNZNV-JKSUJKDBSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001091096675 789798045 /nfs/dbraw/zinc/79/80/45/789798045.db2.gz XNYYJKHZHMEDEY-UHFFFAOYSA-N 2 0 325.884 2.099 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593166 791363422 /nfs/dbraw/zinc/36/34/22/791363422.db2.gz OHKUUJCKXLMDDT-CABCVRRESA-N 2 0 348.466 2.410 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298821 792503519 /nfs/dbraw/zinc/50/35/19/792503519.db2.gz YYRZJNUIUYBEMZ-KBPBESRZSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611753 792559820 /nfs/dbraw/zinc/55/98/20/792559820.db2.gz MDQBETLEADEQPN-IBGZPJMESA-N 2 0 339.483 2.237 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992149256 792927471 /nfs/dbraw/zinc/92/74/71/792927471.db2.gz NBLPUEUZZGHMNG-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927928 793051272 /nfs/dbraw/zinc/05/12/72/793051272.db2.gz QQSTVHSGNRBVRM-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086934654 793073419 /nfs/dbraw/zinc/07/34/19/793073419.db2.gz WPMYYNCRAOTKTA-HKUYNNGSSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC1 ZINC001086954945 793094743 /nfs/dbraw/zinc/09/47/43/793094743.db2.gz ZCXMEMNBZQVGQJ-PXNSSMCTSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071314 793534077 /nfs/dbraw/zinc/53/40/77/793534077.db2.gz QDAQJQBCNFNHRU-HBFSDRIKSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@H](F)CC)CC3)CC1 ZINC000992502965 794429317 /nfs/dbraw/zinc/42/93/17/794429317.db2.gz CNMLBEYQDJJECG-GGPKGHCWSA-N 2 0 349.494 2.193 20 30 EEEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080099259 795594624 /nfs/dbraw/zinc/59/46/24/795594624.db2.gz BDQWGVPVPPYXGC-MLGOLLRUSA-N 2 0 345.834 2.070 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1C ZINC001106655737 796058948 /nfs/dbraw/zinc/05/89/48/796058948.db2.gz AUBCQXXMNYOVBZ-MRVWCRGKSA-N 2 0 336.867 2.266 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497086 796289418 /nfs/dbraw/zinc/28/94/18/796289418.db2.gz NYUAIOVCUURPKA-SFHLNBCPSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078785315 797008722 /nfs/dbraw/zinc/00/87/22/797008722.db2.gz BIZLQLJPBFVFET-IRXDYDNUSA-N 2 0 328.460 2.354 20 30 EEEDRP C[C@H](CCCC#N)[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001172498938 797009833 /nfs/dbraw/zinc/00/98/33/797009833.db2.gz PKTRKQUMMLQFOE-MRXNPFEDSA-N 2 0 333.480 2.249 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172969457 797175065 /nfs/dbraw/zinc/17/50/65/797175065.db2.gz WAZQFVXNRAZJAS-PMPSAXMXSA-N 2 0 336.480 2.209 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756669 797175324 /nfs/dbraw/zinc/17/53/24/797175324.db2.gz HTSJSIKEAXFZLK-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001837172 797243241 /nfs/dbraw/zinc/24/32/41/797243241.db2.gz RSMNFRZQYOYNLK-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001175049705 797978443 /nfs/dbraw/zinc/97/84/43/797978443.db2.gz XMTODMMIHBOQIW-AWEZNQCLSA-N 2 0 336.505 2.336 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001177415765 798934241 /nfs/dbraw/zinc/93/42/41/798934241.db2.gz KSHFKRZGGLPHPD-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592589 799999305 /nfs/dbraw/zinc/99/93/05/799999305.db2.gz IQSLEKOIMMVEDO-UHFFFAOYSA-N 2 0 341.540 2.433 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001180259744 800335990 /nfs/dbraw/zinc/33/59/90/800335990.db2.gz KWLLWJYNPGPGQI-LJQANCHMSA-N 2 0 342.487 2.276 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598098 800866287 /nfs/dbraw/zinc/86/62/87/800866287.db2.gz MXGWXJNXVGJUQW-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182472915 801207005 /nfs/dbraw/zinc/20/70/05/801207005.db2.gz KZXGRYOSDMINEY-UXHICEINSA-N 2 0 339.483 2.101 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004455768 802114252 /nfs/dbraw/zinc/11/42/52/802114252.db2.gz ASTIIHBIMIACIX-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595023 802447663 /nfs/dbraw/zinc/44/76/63/802447663.db2.gz DZOSKDYUFKTZSF-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004598839 802457001 /nfs/dbraw/zinc/45/70/01/802457001.db2.gz XSCASZGKYNYLJS-GOSISDBHSA-N 2 0 340.471 2.097 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657807 802679662 /nfs/dbraw/zinc/67/96/62/802679662.db2.gz SMKKIHFZERMJNO-ZCNNSNEGSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419241 803509916 /nfs/dbraw/zinc/50/99/16/803509916.db2.gz FTZYALHODAUAHH-IBGZPJMESA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169095978 803607851 /nfs/dbraw/zinc/60/78/51/803607851.db2.gz TVZVGOFPVHJLRY-XLAORIBOSA-N 2 0 327.472 2.106 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797659 804053172 /nfs/dbraw/zinc/05/31/72/804053172.db2.gz IDSJYULDCJAGAG-VQIMIIECSA-N 2 0 342.487 2.417 20 30 EEEDRP N#Cc1nccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170523040 812206966 /nfs/dbraw/zinc/20/69/66/812206966.db2.gz YUJMEODSIAIMEH-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131701516 813133340 /nfs/dbraw/zinc/13/33/40/813133340.db2.gz WKMSKBUGPRIXIZ-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608323 1199699575 /nfs/dbraw/zinc/69/95/75/1199699575.db2.gz UOUSCSYOTBGWCP-CHWSQXEVSA-N 2 0 346.313 2.252 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001436405977 1087754792 /nfs/dbraw/zinc/75/47/92/1087754792.db2.gz WZCJUWZCVBLBNJ-WKILWMFISA-N 2 0 327.900 2.489 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439333883 1092023630 /nfs/dbraw/zinc/02/36/30/1092023630.db2.gz UCONJDVNRXEJAX-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001440121036 1093182236 /nfs/dbraw/zinc/18/22/36/1093182236.db2.gz NBVRARMCPVYALB-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001480168748 1099745348 /nfs/dbraw/zinc/74/53/48/1099745348.db2.gz WWHKEGPKHBPTGW-QAQDUYKDSA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001445105367 1100328687 /nfs/dbraw/zinc/32/86/87/1100328687.db2.gz GDNVDVDDTNHPDW-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccccc1C#N ZINC001495753474 1101532746 /nfs/dbraw/zinc/53/27/46/1101532746.db2.gz NPMFDJONQCPSAC-INIZCTEOSA-N 2 0 342.487 2.132 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001508145460 1115427142 /nfs/dbraw/zinc/42/71/42/1115427142.db2.gz BHCVLQPOOBDOMY-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000424153167 240853664 /nfs/dbraw/zinc/85/36/64/240853664.db2.gz JPVHTWPBCHHRKJ-KRWDZBQOSA-N 2 0 346.500 2.238 20 30 EEEDRP C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977444 464342562 /nfs/dbraw/zinc/34/25/62/464342562.db2.gz BLVSUVFHQPGEPR-MJGOQNOKSA-N 2 0 342.487 2.201 20 30 EEEDRP C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000337177222 465229690 /nfs/dbraw/zinc/22/96/90/465229690.db2.gz JHMOVFIWZGARKD-RBUKOAKNSA-N 2 0 348.535 2.045 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1cc(Cl)cn1C ZINC000158778267 463251041 /nfs/dbraw/zinc/25/10/41/463251041.db2.gz XWFLCRDGWLIZQH-ZDUSSCGKSA-N 2 0 337.899 2.170 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081984032 463510892 /nfs/dbraw/zinc/51/08/92/463510892.db2.gz XQWNSXLXGMAGRU-HOCLYGCPSA-N 2 0 338.521 2.462 20 30 EEEDRP CC[NH+]=C(NCCc1ccncc1C)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000261659890 463818979 /nfs/dbraw/zinc/81/89/79/463818979.db2.gz FUVPIFLUHMMNNW-BRWVUGGUSA-N 2 0 330.476 2.301 20 30 EEEDRP C[C@@H](CNc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C#N)[NH+](C)C ZINC000288638705 464053489 /nfs/dbraw/zinc/05/34/89/464053489.db2.gz YZPYYHOSUGQPLH-STQMWFEESA-N 2 0 348.451 2.190 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000264063464 464278205 /nfs/dbraw/zinc/27/82/05/464278205.db2.gz AGAFISZXTYQWCU-UHFFFAOYSA-N 2 0 331.508 2.176 20 30 EEEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264066245 464278747 /nfs/dbraw/zinc/27/87/47/464278747.db2.gz FGIUKESOXMNSBO-HOTGVXAUSA-N 2 0 332.492 2.356 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2cccs2)n1 ZINC000264084305 464280970 /nfs/dbraw/zinc/28/09/70/464280970.db2.gz JDZAKOAPUIPPIY-CYBMUJFWSA-N 2 0 333.461 2.292 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000264091405 464281964 /nfs/dbraw/zinc/28/19/64/464281964.db2.gz KXMBQLJLKLQXNU-INIZCTEOSA-N 2 0 330.476 2.208 20 30 EEEDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181856538 464534036 /nfs/dbraw/zinc/53/40/36/464534036.db2.gz RVWRITOZPKMSCA-INIZCTEOSA-N 2 0 330.476 2.266 20 30 EEEDRP C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580822251 468483600 /nfs/dbraw/zinc/48/36/00/468483600.db2.gz SWBXDTOETCDLAM-UHFFFAOYSA-N 2 0 329.448 2.032 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1cccs1 ZINC000424138996 466988299 /nfs/dbraw/zinc/98/82/99/466988299.db2.gz DRDHGUREORMWRO-YCPHGPKFSA-N 2 0 334.489 2.268 20 30 EEEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424179632 466998022 /nfs/dbraw/zinc/99/80/22/466998022.db2.gz ZEFLYLVZGLQEOA-RYQLBKOJSA-N 2 0 328.460 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000490800519 468252623 /nfs/dbraw/zinc/25/26/23/468252623.db2.gz SPYRIUPTMJLYJK-RBUKOAKNSA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000591770637 468517972 /nfs/dbraw/zinc/51/79/72/468517972.db2.gz WPFZHJSIYMEDRR-GOSISDBHSA-N 2 0 327.403 2.280 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000614403309 469931560 /nfs/dbraw/zinc/93/15/60/469931560.db2.gz QZSWNLFAYCWYIS-FXAWDEMLSA-N 2 0 326.488 2.325 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000113321471 526744132 /nfs/dbraw/zinc/74/41/32/526744132.db2.gz CGPXRYBOZWIVHZ-UHFFFAOYSA-N 2 0 329.488 2.206 20 30 EEEDRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000104166034 529149036 /nfs/dbraw/zinc/14/90/36/529149036.db2.gz LSQPQDXAHYOGJC-UHFFFAOYSA-N 2 0 331.508 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000738524858 578018223 /nfs/dbraw/zinc/01/82/23/578018223.db2.gz XDVWNDHKYJQUDU-UHFFFAOYSA-N 2 0 327.472 2.052 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000728711654 576520705 /nfs/dbraw/zinc/52/07/05/576520705.db2.gz MTLNNSXRMVLPNR-INIZCTEOSA-N 2 0 330.476 2.093 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970795788 676156595 /nfs/dbraw/zinc/15/65/95/676156595.db2.gz GQQLRBOFXUBTLY-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021091447 675716873 /nfs/dbraw/zinc/71/68/73/675716873.db2.gz VYXRDONZPWBCJG-LNMJFAINSA-N 2 0 340.471 2.168 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021096362 675728805 /nfs/dbraw/zinc/72/88/05/675728805.db2.gz PAWZPJRFMDOMMW-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC000970923333 676244772 /nfs/dbraw/zinc/24/47/72/676244772.db2.gz FLCYEFURBVXLTE-INIZCTEOSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622596 676276946 /nfs/dbraw/zinc/27/69/46/676276946.db2.gz KLEUXBGLZJPALS-HKUYNNGSSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC4CC4)CC[C@@H]32)CC1 ZINC001021738890 676396966 /nfs/dbraw/zinc/39/69/66/676396966.db2.gz DLKXWODBCHJCEX-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C(C)C)CC[C@H]32)CC1 ZINC001021738955 676397014 /nfs/dbraw/zinc/39/70/14/676397014.db2.gz FWDPQBMAISNUIE-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCCF)CC[C@H]32)CC1 ZINC001021739132 676397306 /nfs/dbraw/zinc/39/73/06/676397306.db2.gz GRNSPINITHEWMH-RTBURBONSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCCC)CC[C@@H]32)CC1 ZINC001021740394 676399530 /nfs/dbraw/zinc/39/95/30/676399530.db2.gz SMXFXQIQZGXODX-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000891520107 676683038 /nfs/dbraw/zinc/68/30/38/676683038.db2.gz DPXANVDOTAUPBV-IBGZPJMESA-N 2 0 334.508 2.202 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023130551 679137579 /nfs/dbraw/zinc/13/75/79/679137579.db2.gz UDOCMYNRBFHKKW-OTWHNJEPSA-N 2 0 340.471 2.169 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001024039483 679772710 /nfs/dbraw/zinc/77/27/10/679772710.db2.gz XLVPXJYDIOFXHP-RBUKOAKNSA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001024900786 681557211 /nfs/dbraw/zinc/55/72/11/681557211.db2.gz HFEQVAZPZFFQSW-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+]2CC)CC1 ZINC001025300354 682413290 /nfs/dbraw/zinc/41/32/90/682413290.db2.gz CJAYOMYFCPQVRH-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520185 682953962 /nfs/dbraw/zinc/95/39/62/682953962.db2.gz BKLFIPMVBROWSI-GOEBONIOSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974859711 685645483 /nfs/dbraw/zinc/64/54/83/685645483.db2.gz BZRZBCFMUWSJAS-LJQANCHMSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC000992798847 683479132 /nfs/dbraw/zinc/47/91/32/683479132.db2.gz JEHWQRIYJMCSMP-BHYGNILZSA-N 2 0 331.460 2.358 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC000992931875 683662684 /nfs/dbraw/zinc/66/26/84/683662684.db2.gz XDYCNGUAWMTLCQ-YZGWKJHDSA-N 2 0 339.483 2.212 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029342319 684042081 /nfs/dbraw/zinc/04/20/81/684042081.db2.gz JHNGDAGWVXDMEP-ZCNNSNEGSA-N 2 0 341.499 2.260 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001026464445 684677920 /nfs/dbraw/zinc/67/79/20/684677920.db2.gz HBSAAYMIAQLRGU-ACBHZAAOSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)CC1 ZINC001027694204 694002346 /nfs/dbraw/zinc/00/23/46/694002346.db2.gz UMOUXKHAJNHKOL-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435663 686716312 /nfs/dbraw/zinc/71/63/12/686716312.db2.gz MDLUIYQJNUXAAE-KRWDZBQOSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411271 687977579 /nfs/dbraw/zinc/97/75/79/687977579.db2.gz OCSVKMGSLKBEEO-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001089885601 1192684868 /nfs/dbraw/zinc/68/48/68/1192684868.db2.gz IAKGZLMEPBJYEU-YRPNKDGESA-N 2 0 345.531 2.462 20 30 EEEDRP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482058977 1183266590 /nfs/dbraw/zinc/26/65/90/1183266590.db2.gz UUAYEWLNCPNFKA-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1)[NH+](C)C ZINC001269522148 1184346360 /nfs/dbraw/zinc/34/63/60/1184346360.db2.gz HZKOALFDCXGYEE-KRWDZBQOSA-N 2 0 347.890 2.270 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001271183311 1186066739 /nfs/dbraw/zinc/06/67/39/1186066739.db2.gz YKGJEPCJFZPPPX-APWZRJJASA-N 2 0 347.478 2.200 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088415049 1186828721 /nfs/dbraw/zinc/82/87/21/1186828721.db2.gz ZVSXJBIEVROQGJ-HNNXBMFYSA-N 2 0 325.884 2.196 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541966 1188154777 /nfs/dbraw/zinc/15/47/77/1188154777.db2.gz MJLVDRUCDKXGHQ-GOSISDBHSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576477 1188190497 /nfs/dbraw/zinc/19/04/97/1188190497.db2.gz FHRVPTDMLBKJEK-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991068785 1189834776 /nfs/dbraw/zinc/83/47/76/1189834776.db2.gz PQQCTWQQCAGIKV-WSTZPKSXSA-N 2 0 331.504 2.386 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001484000744 1191150616 /nfs/dbraw/zinc/15/06/16/1191150616.db2.gz JFDPVBHWPPGRPW-INIZCTEOSA-N 2 0 327.900 2.488 20 30 EEEDRP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047176 1191178432 /nfs/dbraw/zinc/17/84/32/1191178432.db2.gz IHMKKSTYKOOJLT-HXUWFJFHSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983341 1191601440 /nfs/dbraw/zinc/60/14/40/1191601440.db2.gz WCCCPWDCDAHTBO-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001410939040 1198609094 /nfs/dbraw/zinc/60/90/94/1198609094.db2.gz IOXAYGFZTQPQMZ-CABCVRRESA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736556 1199780645 /nfs/dbraw/zinc/78/06/45/1199780645.db2.gz GQIRDCJWPTVTTD-IAGOWNOFSA-N 2 0 339.524 2.184 20 30 EEEDRP C=CCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768209 1200417156 /nfs/dbraw/zinc/41/71/56/1200417156.db2.gz OMGZEAFXJANDAH-GOSISDBHSA-N 2 0 339.524 2.234 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133249678 1200640284 /nfs/dbraw/zinc/64/02/84/1200640284.db2.gz IVHLMUUXCRVGLW-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133249676 1200640655 /nfs/dbraw/zinc/64/06/55/1200640655.db2.gz IVHLMUUXCRVGLW-CVEARBPZSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001133398340 1200838317 /nfs/dbraw/zinc/83/83/17/1200838317.db2.gz QZWGIAIQVRQVBP-GOSISDBHSA-N 2 0 347.890 2.232 20 30 EEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001202559443 1202152829 /nfs/dbraw/zinc/15/28/29/1202152829.db2.gz CWAFVJNYGCDLHH-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111039026 1207665523 /nfs/dbraw/zinc/66/55/23/1207665523.db2.gz VIMBRTBMVYFLAO-MANSERQUSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000778164530 1207759678 /nfs/dbraw/zinc/75/96/78/1207759678.db2.gz GJDJENWDQKYCCS-INIZCTEOSA-N 2 0 349.906 2.325 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155622401 1208331234 /nfs/dbraw/zinc/33/12/34/1208331234.db2.gz BXKTXVHODUUOMY-MSOLQXFVSA-N 2 0 329.488 2.375 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC000949251748 1209594875 /nfs/dbraw/zinc/59/48/75/1209594875.db2.gz WBEQLOKYXFOTNW-UHFFFAOYSA-N 2 0 349.519 2.132 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957614866 1215258332 /nfs/dbraw/zinc/25/83/32/1215258332.db2.gz RVCJVPMNGXWLLN-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001114837365 1215715104 /nfs/dbraw/zinc/71/51/04/1215715104.db2.gz DFZPEERNWJTYOV-PMOLBWCYSA-N 2 0 341.499 2.417 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962777294 1216072884 /nfs/dbraw/zinc/07/28/84/1216072884.db2.gz OESDEOJVIHIYQJ-BWTSREIZSA-N 2 0 327.472 2.374 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000304704615 1216091201 /nfs/dbraw/zinc/09/12/01/1216091201.db2.gz KIDISXLEHCCUNF-UHFFFAOYSA-N 2 0 347.507 2.226 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2c1cccc2C ZINC000304744986 1216102487 /nfs/dbraw/zinc/10/24/87/1216102487.db2.gz DXCUQJCATFOMLI-MRXNPFEDSA-N 2 0 327.476 2.407 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC000960221269 1216433768 /nfs/dbraw/zinc/43/37/68/1216433768.db2.gz OPHNTKZSSKZUHC-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270470 1217120043 /nfs/dbraw/zinc/12/00/43/1217120043.db2.gz IHLBRSKPPHCPFK-QZTJIDSGSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428216 1217622207 /nfs/dbraw/zinc/62/22/07/1217622207.db2.gz KEMFMBBTNNTYOO-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000965773074 1219242889 /nfs/dbraw/zinc/24/28/89/1219242889.db2.gz KYMPTFMOYCVRQB-UHFFFAOYSA-N 2 0 331.504 2.311 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1CC ZINC001037983510 1220878839 /nfs/dbraw/zinc/87/88/39/1220878839.db2.gz NKCLANDPOFJHKO-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1CC ZINC001037985321 1220890757 /nfs/dbraw/zinc/89/07/57/1220890757.db2.gz VBXZVXQTIHMGCZ-MJGOQNOKSA-N 2 0 327.472 2.212 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968966762 1221705392 /nfs/dbraw/zinc/70/53/92/1221705392.db2.gz AXVRMGCLISVYFL-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505480 1222893742 /nfs/dbraw/zinc/89/37/42/1222893742.db2.gz AFXDNQNDJWAKGJ-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016625927 1226700449 /nfs/dbraw/zinc/70/04/49/1226700449.db2.gz QAEHULCPEDAWRR-IEBWSBKVSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860981 1226928325 /nfs/dbraw/zinc/92/83/25/1226928325.db2.gz MADZMCMPIAKBDA-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001020250369 1229583090 /nfs/dbraw/zinc/58/30/90/1229583090.db2.gz DOWJMBNEEWSARB-UFYCRDLUSA-N 2 0 339.483 2.138 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133337 1230343394 /nfs/dbraw/zinc/34/33/94/1230343394.db2.gz SGNGBJYBUJMFJD-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040256946 1231136478 /nfs/dbraw/zinc/13/64/78/1231136478.db2.gz BYXCSAKBFBWHDE-FQEVSTJZSA-N 2 0 343.515 2.200 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721816 1231348099 /nfs/dbraw/zinc/34/80/99/1231348099.db2.gz AREXOYIQGFJYMT-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746243 1231355712 /nfs/dbraw/zinc/35/57/12/1231355712.db2.gz XOTUJIDMLFLBPH-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041584650 1231609041 /nfs/dbraw/zinc/60/90/41/1231609041.db2.gz BWRHIPAQUSAAAI-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845749 1231728676 /nfs/dbraw/zinc/72/86/76/1231728676.db2.gz PKMSCZVFTIHXGY-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044768078 1233250640 /nfs/dbraw/zinc/25/06/40/1233250640.db2.gz TYHIFAGWPXGCEG-HOCLYGCPSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858036 1233321193 /nfs/dbraw/zinc/32/11/93/1233321193.db2.gz PJIIGPAZMUYBIJ-HUUCEWRRSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045556368 1233814897 /nfs/dbraw/zinc/81/48/97/1233814897.db2.gz DHLUYSRNKZXBHX-UHFFFAOYSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945209 1234205854 /nfs/dbraw/zinc/20/58/54/1234205854.db2.gz ORTNXCXQCYMVMA-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945646 1234206768 /nfs/dbraw/zinc/20/67/68/1234206768.db2.gz WEPIWVGWDRIOOD-AZUAARDMSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045980395 1234270856 /nfs/dbraw/zinc/27/08/56/1234270856.db2.gz XLWQYUBGWXYKDM-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@@H+](C(C)C)C3)C2)CC1 ZINC001045986148 1234282204 /nfs/dbraw/zinc/28/22/04/1234282204.db2.gz IACFPWVIBRWQEV-OAQYLSRUSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257820 1235762327 /nfs/dbraw/zinc/76/23/27/1235762327.db2.gz UWPPXXYRUWCAKG-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047265397 1235776967 /nfs/dbraw/zinc/77/69/67/1235776967.db2.gz HVHDZFBAOSXARZ-IBGZPJMESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001048480716 1237743404 /nfs/dbraw/zinc/74/34/04/1237743404.db2.gz VKPAJGVJEQXMPK-FXAWDEMLSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048524835 1237861721 /nfs/dbraw/zinc/86/17/21/1237861721.db2.gz BQAKQTCZFGFNRT-QTMHVTGLSA-N 2 0 331.504 2.406 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514651 1241189449 /nfs/dbraw/zinc/18/94/49/1241189449.db2.gz IFYLXYKLFVDNQT-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563634 1241431250 /nfs/dbraw/zinc/43/12/50/1241431250.db2.gz GGNYUXOAKDLDAG-QZTJIDSGSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820686 1242306039 /nfs/dbraw/zinc/30/60/39/1242306039.db2.gz MEIDMFQQDHBZAQ-RTBURBONSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001475383 1242344499 /nfs/dbraw/zinc/34/44/99/1242344499.db2.gz CLTMRQKOQHOGNZ-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928049 1242749664 /nfs/dbraw/zinc/74/96/64/1242749664.db2.gz ZZQLDHGRRPKEFP-MSOLQXFVSA-N 2 0 343.471 2.434 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC[C@@H](C)F)C[C@H]32)CC1 ZINC001050208408 1243124365 /nfs/dbraw/zinc/12/43/65/1243124365.db2.gz KIICWDGAKMLXKI-NZSAHSFTSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3CCC)cccc2C1 ZINC001051289244 1245482293 /nfs/dbraw/zinc/48/22/93/1245482293.db2.gz GNHCMJIHADUDAJ-HXUWFJFHSA-N 2 0 339.483 2.169 20 30 EEEDRP C=CC[N@H+]1CCc2c(CNC(=O)C3CC[NH+](C)CC3)cccc2C1 ZINC001051298205 1245497349 /nfs/dbraw/zinc/49/73/49/1245497349.db2.gz GJLFIYKENBSHNW-UHFFFAOYSA-N 2 0 327.472 2.189 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028334 1245711168 /nfs/dbraw/zinc/71/11/68/1245711168.db2.gz LDXQDKUXYBZGKW-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001101542975 1245945246 /nfs/dbraw/zinc/94/52/46/1245945246.db2.gz LDPMRHFQPDIQGO-SJLPKXTDSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001101596158 1246004793 /nfs/dbraw/zinc/00/47/93/1246004793.db2.gz LJZUTLJWISZJGS-IRXDYDNUSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145227 1247517015 /nfs/dbraw/zinc/51/70/15/1247517015.db2.gz NGQAKARLSJCDMS-CTNGQTDRSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052552167 1247544086 /nfs/dbraw/zinc/54/40/86/1247544086.db2.gz VLKRMOWRJCOOMF-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP CC#CCN1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270731 1247958761 /nfs/dbraw/zinc/95/87/61/1247958761.db2.gz YHYLVUXJVAOHDF-LJQANCHMSA-N 2 0 325.456 2.126 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099113900 1257973796 /nfs/dbraw/zinc/97/37/96/1257973796.db2.gz DRDGYRHCUXYIHY-FPOVZHCZSA-N 2 0 343.515 2.102 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240912 1258030017 /nfs/dbraw/zinc/03/00/17/1258030017.db2.gz VQHAUKKKQYMPGN-SJORKVTESA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100993151 1259532832 /nfs/dbraw/zinc/53/28/32/1259532832.db2.gz WZCJUWZCVBLBNJ-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709641 1278760399 /nfs/dbraw/zinc/76/03/99/1278760399.db2.gz KNEQIJHXVZLXEB-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1c[nH]cn1 ZINC001134545436 1278002197 /nfs/dbraw/zinc/00/21/97/1278002197.db2.gz OTWBZJQZEFFSNO-HUUCEWRRSA-N 2 0 339.443 2.287 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292629 1282427087 /nfs/dbraw/zinc/42/70/87/1282427087.db2.gz QIKHROXOJPPMLR-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(CC)CC)C2)CC1 ZINC001194247793 1282956603 /nfs/dbraw/zinc/95/66/03/1282956603.db2.gz ZPQHRWKBAUBGAH-IBGZPJMESA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558388 1289665255 /nfs/dbraw/zinc/66/52/55/1289665255.db2.gz OCGRUDQEADQUTN-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC001201639326 1289688158 /nfs/dbraw/zinc/68/81/58/1289688158.db2.gz JDXNQCZLXHGTLP-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852102532 1291994210 /nfs/dbraw/zinc/99/42/10/1291994210.db2.gz YUSFHQRABTWOPC-IMFGXOCKSA-N 2 0 327.472 2.157 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001072094524 1295234103 /nfs/dbraw/zinc/23/41/03/1295234103.db2.gz AMEXLAZAUXMZIF-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001072094525 1295234528 /nfs/dbraw/zinc/23/45/28/1295234528.db2.gz AMEXLAZAUXMZIF-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC(C)C)C2)CC1 ZINC001072095702 1295237862 /nfs/dbraw/zinc/23/78/62/1295237862.db2.gz MXGQQJYSDQLOKS-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850345 1296619519 /nfs/dbraw/zinc/61/95/19/1296619519.db2.gz SWRXIFPOOAXJCI-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218100788 1297570446 /nfs/dbraw/zinc/57/04/46/1297570446.db2.gz BYXGVBWKMHUZGM-GBESFXJTSA-N 2 0 349.519 2.127 20 30 EEEDRP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001218623790 1297738932 /nfs/dbraw/zinc/73/89/32/1297738932.db2.gz ICJRGQGRSTUNMJ-CEXWTWQISA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568673 1298455332 /nfs/dbraw/zinc/45/53/32/1298455332.db2.gz YOPKZOYGWBGWSE-KURKYZTESA-N 2 0 339.524 2.015 20 30 EEEDRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643709 1298487806 /nfs/dbraw/zinc/48/78/06/1298487806.db2.gz PPPJYLJYPZSDOW-AEFFLSMTSA-N 2 0 340.471 2.049 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCC=C)[C@H]3C2)CC1 ZINC001224227786 1300498449 /nfs/dbraw/zinc/49/84/49/1300498449.db2.gz QJAXKNYHFZWDKL-QUCCMNQESA-N 2 0 343.515 2.221 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189939 1300531366 /nfs/dbraw/zinc/53/13/66/1300531366.db2.gz JETVMBSVVDMDKT-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978752 1300635585 /nfs/dbraw/zinc/63/55/85/1300635585.db2.gz RBWLCSMPIYSZPC-QUCCMNQESA-N 2 0 331.504 2.102 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](C)C ZINC001102378289 1300958245 /nfs/dbraw/zinc/95/82/45/1300958245.db2.gz RTSFOTMXQXZQSL-LZQZEXGQSA-N 2 0 342.487 2.083 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102473738 1301118118 /nfs/dbraw/zinc/11/81/18/1301118118.db2.gz NCWQWBOAUCNETB-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001228457444 1302270414 /nfs/dbraw/zinc/27/04/14/1302270414.db2.gz QVJILMBWXCOGRC-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001228647456 1302359746 /nfs/dbraw/zinc/35/97/46/1302359746.db2.gz TWAXXPIAAKCSIE-WOJBJXKFSA-N 2 0 341.499 2.201 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001112126246 1304261929 /nfs/dbraw/zinc/26/19/29/1304261929.db2.gz GVFQDFONKIKQMS-ZIAGYGMSSA-N 2 0 345.409 2.170 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C(F)(F)F ZINC001112198907 1304321949 /nfs/dbraw/zinc/32/19/49/1304321949.db2.gz BLCNMXNHZLKILU-FMKPAKJESA-N 2 0 345.409 2.027 20 30 EEEDRP N#CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277941810 1305211647 /nfs/dbraw/zinc/21/16/47/1305211647.db2.gz VDPCHBQSCUGLRA-SFHVURJKSA-N 2 0 344.503 2.089 20 30 EEEDRP N#CCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277948279 1305248029 /nfs/dbraw/zinc/24/80/29/1305248029.db2.gz BRQHIDWHHVZLII-SFHVURJKSA-N 2 0 344.503 2.089 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421949 1309523172 /nfs/dbraw/zinc/52/31/72/1309523172.db2.gz GVNAFBMZANJDRV-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001121462221 1310018687 /nfs/dbraw/zinc/01/86/87/1310018687.db2.gz BMNAKXCDTXPOKL-UHFFFAOYSA-N 2 0 331.504 2.291 20 30 EEEDRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[NH2+]C1 ZINC001246104599 1310236388 /nfs/dbraw/zinc/23/63/88/1310236388.db2.gz KMYBETROUXIZIS-DNVCBOLYSA-N 2 0 340.471 2.141 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246309702 1310278341 /nfs/dbraw/zinc/27/83/41/1310278341.db2.gz WJKLUBFTJWRDFY-KRWDZBQOSA-N 2 0 337.508 2.115 20 30 EEEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149847627 1316064568 /nfs/dbraw/zinc/06/45/68/1316064568.db2.gz GCFBHXUZUDCSKN-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155248939 1317521460 /nfs/dbraw/zinc/52/14/60/1317521460.db2.gz AXAJWIPSOWPVSO-QGZVFWFLSA-N 2 0 329.488 2.254 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC001257204771 1318963068 /nfs/dbraw/zinc/96/30/68/1318963068.db2.gz PCTQQIATXZIJOJ-GOSISDBHSA-N 2 0 329.488 2.354 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001159328274 1319742622 /nfs/dbraw/zinc/74/26/22/1319742622.db2.gz RYHLGAAWJQRLND-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001159846739 1320003868 /nfs/dbraw/zinc/00/38/68/1320003868.db2.gz SUHALOZRSSOCAF-IBGZPJMESA-N 2 0 342.487 2.132 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC001159917491 1320021195 /nfs/dbraw/zinc/02/11/95/1320021195.db2.gz XOGROKBJKKOMSL-GOSISDBHSA-N 2 0 347.890 2.128 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160869688 1320298408 /nfs/dbraw/zinc/29/84/08/1320298408.db2.gz RKQKIKPIIUIDMD-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930635 1320680653 /nfs/dbraw/zinc/68/06/53/1320680653.db2.gz FJQFACXQAWJMCU-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001162982726 1321004400 /nfs/dbraw/zinc/00/44/00/1321004400.db2.gz MNDCDCLNTMDPHO-IBGZPJMESA-N 2 0 329.488 2.175 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC001163328494 1321098970 /nfs/dbraw/zinc/09/89/70/1321098970.db2.gz QEGBEACYRJSRFF-LNVYBDQBSA-N 2 0 327.432 2.103 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F)[NH+](CC)CC ZINC001166433136 1321718910 /nfs/dbraw/zinc/71/89/10/1321718910.db2.gz ZXNJLMQJZCMDBV-GOSISDBHSA-N 2 0 348.466 2.414 20 30 EEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203615403 1321923689 /nfs/dbraw/zinc/92/36/89/1321923689.db2.gz OHHGTTMHYHYTQD-IRXDYDNUSA-N 2 0 328.460 2.354 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203739929 1321951643 /nfs/dbraw/zinc/95/16/43/1321951643.db2.gz AHEGIVZFOMVYKP-ROUUACIJSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203773597 1321958426 /nfs/dbraw/zinc/95/84/26/1321958426.db2.gz VZWNLUNNOIQEET-MOPGFXCFSA-N 2 0 339.483 2.402 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204061574 1322028337 /nfs/dbraw/zinc/02/83/37/1322028337.db2.gz FVVRNNJZAXUSHB-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890588 1323674159 /nfs/dbraw/zinc/67/41/59/1323674159.db2.gz YTXHOBBBRJACOW-UHFFFAOYSA-N 2 0 346.313 2.065 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001208603232 1324585061 /nfs/dbraw/zinc/58/50/61/1324585061.db2.gz WVLGBMRPCWAKIJ-UHFFFAOYSA-N 3 0 334.552 2.010 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001209324726 1324902678 /nfs/dbraw/zinc/90/26/78/1324902678.db2.gz UJMCQCJCFCLKHH-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209715455 1325019455 /nfs/dbraw/zinc/01/94/55/1325019455.db2.gz IOUHBDCLAUORNF-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCN(CC[NH3+])CC2)cc1 ZINC001209976676 1325116621 /nfs/dbraw/zinc/11/66/21/1325116621.db2.gz YOLKRVSMWACMOV-UHFFFAOYSA-N 2 0 349.482 2.402 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643928 1325364053 /nfs/dbraw/zinc/36/40/53/1325364053.db2.gz MGSWHVCLCBLLSG-MOPGFXCFSA-N 2 0 327.472 2.283 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001314492421 1331825644 /nfs/dbraw/zinc/82/56/44/1331825644.db2.gz PYBHTOZNTYJTMK-MOPGFXCFSA-N 2 0 331.504 2.195 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111753337 1371241543 /nfs/dbraw/zinc/24/15/43/1371241543.db2.gz WBLWNUBIWOOHRR-NSHGMRRFSA-N 2 0 331.504 2.265 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410777 1371434109 /nfs/dbraw/zinc/43/41/09/1371434109.db2.gz OSDHHBJBKNAJCK-NSHGMRRFSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001366270885 1373868164 /nfs/dbraw/zinc/86/81/64/1373868164.db2.gz ACOYSVPVDJCFSA-MRXNPFEDSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001370079443 1374789703 /nfs/dbraw/zinc/78/97/03/1374789703.db2.gz MWNBVGSAPOFHAC-GJZGRUSLSA-N 2 0 327.900 2.296 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001390152021 1388464234 /nfs/dbraw/zinc/46/42/34/1388464234.db2.gz AYESTQQQXJDIAT-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001376559538 1378595943 /nfs/dbraw/zinc/59/59/43/1378595943.db2.gz RAWWDIDYALRJHJ-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001377006338 1378915503 /nfs/dbraw/zinc/91/55/03/1378915503.db2.gz ZNMQKFRAAUALTD-GOSISDBHSA-N 2 0 348.466 2.318 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)[NH+](C)C ZINC001379049304 1380427319 /nfs/dbraw/zinc/42/73/19/1380427319.db2.gz QZRBNDKZZBBQHC-RTBURBONSA-N 2 0 344.503 2.375 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)s1)C(=O)C1([NH+](C)C)CCC1 ZINC001380975968 1381475109 /nfs/dbraw/zinc/47/51/09/1381475109.db2.gz CBVMQBNUCXBTDT-UHFFFAOYSA-N 2 0 348.516 2.384 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001382306849 1382060559 /nfs/dbraw/zinc/06/05/59/1382060559.db2.gz COBFCSRNZMWSFP-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885767 1389686315 /nfs/dbraw/zinc/68/63/15/1389686315.db2.gz HEUTVFVDDZIFNB-QFBILLFUSA-N 2 0 342.487 2.273 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001397612794 1391370436 /nfs/dbraw/zinc/37/04/36/1391370436.db2.gz WAWYGFXOTLUNDU-LESCRADOSA-N 2 0 346.450 2.022 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001399118412 1394717885 /nfs/dbraw/zinc/71/78/85/1394717885.db2.gz XSQQRKMOEAWOEE-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001400841019 1396647568 /nfs/dbraw/zinc/64/75/68/1396647568.db2.gz AWBUZQVDZFAPOP-WBVHZDCISA-N 2 0 334.439 2.022 20 30 EEEDRP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754238902 1406875390 /nfs/dbraw/zinc/87/53/90/1406875390.db2.gz JNHSPKVPYGCOJP-RYRKJORJSA-N 2 0 345.462 2.002 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001402065293 1397743003 /nfs/dbraw/zinc/74/30/03/1397743003.db2.gz BONGGLITCPCPJA-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001755121753 1407132237 /nfs/dbraw/zinc/13/22/37/1407132237.db2.gz LTIYNOFKASZSHA-QFBILLFUSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC001574517330 1403522010 /nfs/dbraw/zinc/52/20/10/1403522010.db2.gz MHOAHHHQCXPLMO-UYAOXDASSA-N 2 0 325.456 2.085 20 30 EEEDRP C=CC1(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[NH2+]C1 ZINC001574880638 1403527347 /nfs/dbraw/zinc/52/73/47/1403527347.db2.gz XFHWWDMAQICVIP-UHFFFAOYSA-N 2 0 327.472 2.454 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC001574969888 1403529564 /nfs/dbraw/zinc/52/95/64/1403529564.db2.gz NTZVYAJTUJGNNV-KRWDZBQOSA-N 2 0 329.444 2.149 20 30 EEEDRP N#Cc1cnc2ccccc2c1N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC001580081584 1403823290 /nfs/dbraw/zinc/82/32/90/1403823290.db2.gz NLAWFPQXVBAMMM-INIZCTEOSA-N 2 0 335.455 2.228 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001104621579 762061539 /nfs/dbraw/zinc/06/15/39/762061539.db2.gz HFDBFFMGGUPFOE-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452709 760911000 /nfs/dbraw/zinc/91/10/00/760911000.db2.gz QWDKWCATZDTCJH-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001105058839 768969851 /nfs/dbraw/zinc/96/98/51/768969851.db2.gz AGDYWCKUMWWLQM-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487207 769749803 /nfs/dbraw/zinc/74/98/03/769749803.db2.gz JSAQPKFEKXFOMG-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979710255 770922271 /nfs/dbraw/zinc/92/22/71/770922271.db2.gz KDJSKBRYSCCWHT-KSZLIROESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088141820 782970400 /nfs/dbraw/zinc/97/04/00/782970400.db2.gz FCEAGRMDPADUOX-UXHICEINSA-N 2 0 339.483 2.165 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131704718 783083667 /nfs/dbraw/zinc/08/36/67/783083667.db2.gz ZHSIHJGFCOTPIA-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC3CCCCC3)C2)CC1 ZINC000980477495 774701527 /nfs/dbraw/zinc/70/15/27/774701527.db2.gz HCTUILAZSGDSFQ-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1ncc[nH]1 ZINC001089802382 775829859 /nfs/dbraw/zinc/82/98/59/775829859.db2.gz FJVWNVQSZSQRNI-JONQDZQNSA-N 2 0 348.878 2.264 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001089820976 776964457 /nfs/dbraw/zinc/96/44/57/776964457.db2.gz PZJXTMKTJNOFRJ-WNHJNPCNSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997637107 790497125 /nfs/dbraw/zinc/49/71/25/790497125.db2.gz WBZDCFVMHOABAA-KRWDZBQOSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028152282 778516476 /nfs/dbraw/zinc/51/64/76/778516476.db2.gz QWHQCYSGERVCPG-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052583 778999819 /nfs/dbraw/zinc/99/98/19/778999819.db2.gz QSKLKIVEMYBLAR-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163570 779183089 /nfs/dbraw/zinc/18/30/89/779183089.db2.gz HOMTXVFMFRIECT-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982160039 779199399 /nfs/dbraw/zinc/19/93/99/779199399.db2.gz PODXDBSBDYUJRP-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709106 779306173 /nfs/dbraw/zinc/30/61/73/779306173.db2.gz CJQDLYQPDZFZOU-VQTJNVASSA-N 2 0 341.499 2.326 20 30 EEEDRP C=C(Cl)CN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172717 781888232 /nfs/dbraw/zinc/88/82/32/781888232.db2.gz MDGGLBBGMHIWGG-HOCLYGCPSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001088337940 783557663 /nfs/dbraw/zinc/55/76/63/783557663.db2.gz RDEAUOSQPDPKNG-IAGOWNOFSA-N 2 0 330.476 2.382 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035260530 784216554 /nfs/dbraw/zinc/21/65/54/784216554.db2.gz YMUPDXAYFIPXQZ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035721506 785016139 /nfs/dbraw/zinc/01/61/39/785016139.db2.gz AKSVMGXIASVICC-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035772540 785152577 /nfs/dbraw/zinc/15/25/77/785152577.db2.gz FIZPXDGSUYDCJX-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035820369 785174819 /nfs/dbraw/zinc/17/48/19/785174819.db2.gz UAUQPQZLFFLAEI-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995946110 785849523 /nfs/dbraw/zinc/84/95/23/785849523.db2.gz GILPJHODIPLNEK-CHWSQXEVSA-N 2 0 346.313 2.062 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1)[NH+](C)C ZINC000997006011 788435207 /nfs/dbraw/zinc/43/52/07/788435207.db2.gz ANOYHJRNRTXEKR-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c(OC)c1 ZINC000923346866 789424973 /nfs/dbraw/zinc/42/49/73/789424973.db2.gz WIPCMJVOGYITDA-KZNAEPCWSA-N 2 0 348.487 2.223 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=C)C)C[C@H]3CC2)CC1 ZINC000946901885 789565977 /nfs/dbraw/zinc/56/59/77/789565977.db2.gz HIRWZDMHCFARAD-BGYRXZFFSA-N 2 0 343.515 2.078 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001171162426 789578820 /nfs/dbraw/zinc/57/88/20/789578820.db2.gz YEOXHTNTFKWHAV-VQTJNVASSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089908305 789783854 /nfs/dbraw/zinc/78/38/54/789783854.db2.gz SNOBTSQNZKHPNA-VJANTYMQSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386021 789877614 /nfs/dbraw/zinc/87/76/14/789877614.db2.gz GZZDOGIKUFPWOL-IEBWSBKVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089910081 789920683 /nfs/dbraw/zinc/92/06/83/789920683.db2.gz YZBFMESIPIYBRC-YVSFHVDLSA-N 2 0 337.895 2.004 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001146341453 791213717 /nfs/dbraw/zinc/21/37/17/791213717.db2.gz YMPPTTQBMPBGNZ-LSDHHAIUSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3cnc4c3CCCC4)CCC[C@H]12 ZINC000991879991 791227817 /nfs/dbraw/zinc/22/78/17/791227817.db2.gz BEYHRFFCQOPZFF-PKOBYXMFSA-N 2 0 328.460 2.061 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997836368 791253158 /nfs/dbraw/zinc/25/31/58/791253158.db2.gz JFDRKXCRGSKECF-HNNXBMFYSA-N 2 0 328.460 2.001 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591861 791360700 /nfs/dbraw/zinc/36/07/00/791360700.db2.gz HPWSWJBBWDUEPF-HUUCEWRRSA-N 2 0 348.466 2.410 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701852 791415165 /nfs/dbraw/zinc/41/51/65/791415165.db2.gz QXSYNYQMQYWNCJ-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164770 792116868 /nfs/dbraw/zinc/11/68/68/792116868.db2.gz JKATUSPDYWTLBG-IBGZPJMESA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938045 793024025 /nfs/dbraw/zinc/02/40/25/793024025.db2.gz GNIICBBSXNLQSE-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992186612 793126421 /nfs/dbraw/zinc/12/64/21/793126421.db2.gz GOWYRWMVPDAKLZ-FFZOFVMBSA-N 2 0 349.494 2.335 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157811 793611651 /nfs/dbraw/zinc/61/16/51/793611651.db2.gz QDHGIGCOSQIPOZ-QUCCMNQESA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311466 793631666 /nfs/dbraw/zinc/63/16/66/793631666.db2.gz AFOGVCDSDQTBOH-PZJWPPBQSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC000992510059 794454325 /nfs/dbraw/zinc/45/43/25/794454325.db2.gz OJENNPQOPALIDL-UYAOXDASSA-N 2 0 329.488 2.021 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515869 794572114 /nfs/dbraw/zinc/57/21/14/794572114.db2.gz ZRBQVODTJROESL-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736321 794691993 /nfs/dbraw/zinc/69/19/93/794691993.db2.gz YHTGRCBHBBKLOJ-HUUCEWRRSA-N 2 0 325.884 2.146 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902895 796441400 /nfs/dbraw/zinc/44/14/00/796441400.db2.gz RQHGGKKVIRAGSO-AZUAARDMSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)CC1 ZINC001032800624 796448591 /nfs/dbraw/zinc/44/85/91/796448591.db2.gz QBWUIXNXCMUEIL-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001080997641 796548584 /nfs/dbraw/zinc/54/85/84/796548584.db2.gz HVILARBFPJBRBJ-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078656959 796777989 /nfs/dbraw/zinc/77/79/89/796777989.db2.gz NGTLIJOMIADJOA-IAGOWNOFSA-N 2 0 331.504 2.456 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078818991 797023698 /nfs/dbraw/zinc/02/36/98/797023698.db2.gz HCGGSZYROPJIKB-ROUUACIJSA-N 2 0 325.456 2.012 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819208 797023912 /nfs/dbraw/zinc/02/39/12/797023912.db2.gz JZJPZEKJFABBDB-ZWKOTPCHSA-N 2 0 331.504 2.005 20 30 EEEDRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082595832 797605173 /nfs/dbraw/zinc/60/51/73/797605173.db2.gz GWWRKVBUMUZJDP-KBRIMQKVSA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001002157892 797641143 /nfs/dbraw/zinc/64/11/43/797641143.db2.gz NBPWXWDZNQDBKC-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082743047 797675535 /nfs/dbraw/zinc/67/55/35/797675535.db2.gz DTLLOEPNKZLFFH-RKVPGOIHSA-N 2 0 325.472 2.212 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175315296 798073138 /nfs/dbraw/zinc/07/31/38/798073138.db2.gz DKEKNXZFYUUXCR-KBPBESRZSA-N 2 0 348.329 2.500 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383409 798283488 /nfs/dbraw/zinc/28/34/88/798283488.db2.gz YGEIACDHXHOSEF-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175950938 798308584 /nfs/dbraw/zinc/30/85/84/798308584.db2.gz FOOWNHPVDBXIJJ-KRWDZBQOSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(C)sc2C)CC1 ZINC001176930840 798634115 /nfs/dbraw/zinc/63/41/15/798634115.db2.gz RGOHNUODKXDFAY-UHFFFAOYSA-N 2 0 347.528 2.306 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101508 798675273 /nfs/dbraw/zinc/67/52/73/798675273.db2.gz OBIYIPMVGKYQDC-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001177342374 798876567 /nfs/dbraw/zinc/87/65/67/798876567.db2.gz LLTSYPRILQNKDE-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179025190 799730398 /nfs/dbraw/zinc/73/03/98/799730398.db2.gz JVVMMZFGPZCOIK-WMZOPIPTSA-N 2 0 330.476 2.453 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001179337808 799886554 /nfs/dbraw/zinc/88/65/54/799886554.db2.gz YILVNDKXXIMQAM-IHPCNDPISA-N 2 0 339.483 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)CC1 ZINC001180204461 800308103 /nfs/dbraw/zinc/30/81/03/800308103.db2.gz SWYCLTRASIQFRL-WMZOPIPTSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585837 802083193 /nfs/dbraw/zinc/08/31/93/802083193.db2.gz WFQXIFNAJIQOFY-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000073761377 802129304 /nfs/dbraw/zinc/12/93/04/802129304.db2.gz IEMLFUDUUCYFCU-SFHVURJKSA-N 3 0 349.567 2.292 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184700535 802134515 /nfs/dbraw/zinc/13/45/15/802134515.db2.gz DTGVYLBHSZSKQD-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004543364 802338614 /nfs/dbraw/zinc/33/86/14/802338614.db2.gz OVXGJUJMGBKAHO-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365175 802832643 /nfs/dbraw/zinc/83/26/43/802832643.db2.gz HNACMYFOXFNTIT-VGWMRTNUSA-N 2 0 325.884 2.098 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710533 802863835 /nfs/dbraw/zinc/86/38/35/802863835.db2.gz RKPJNWKQHJXFJJ-HDICACEKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421697 803533669 /nfs/dbraw/zinc/53/36/69/803533669.db2.gz SQXSPMHTCWCAIR-MJGOQNOKSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830036 804553226 /nfs/dbraw/zinc/55/32/26/804553226.db2.gz CRCNBKZDWIFFMB-IHPCNDPISA-N 2 0 339.483 2.354 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001129410300 810828578 /nfs/dbraw/zinc/82/85/78/810828578.db2.gz IVTIVQGFZGEZFG-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430086 810849055 /nfs/dbraw/zinc/84/90/55/810849055.db2.gz OQZPWANRDSMXCS-FQEVSTJZSA-N 2 0 339.483 2.151 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130443958 811649274 /nfs/dbraw/zinc/64/92/74/811649274.db2.gz YINMHODCIVWYNM-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438265863 1090747930 /nfs/dbraw/zinc/74/79/30/1090747930.db2.gz KUCHYNAHCUIFNH-MOPGFXCFSA-N 2 0 342.487 2.321 20 30 EEEDRP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001449036714 1094049900 /nfs/dbraw/zinc/04/99/00/1094049900.db2.gz MJOMOOOQFGEKLS-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442202541 1096486044 /nfs/dbraw/zinc/48/60/44/1096486044.db2.gz XLFHIYFCQXSBMO-MOPGFXCFSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001444041299 1098563220 /nfs/dbraw/zinc/56/32/20/1098563220.db2.gz PYWIQCWZYOYEAA-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001444739743 1099616039 /nfs/dbraw/zinc/61/60/39/1099616039.db2.gz BEHZYDPOKSNWLX-WMLDXEAASA-N 2 0 348.516 2.334 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001444978677 1100104602 /nfs/dbraw/zinc/10/46/02/1100104602.db2.gz FKZQPWQVPRKNIE-IBGZPJMESA-N 2 0 342.487 2.321 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)CCC1 ZINC001493106373 1107503282 /nfs/dbraw/zinc/50/32/82/1107503282.db2.gz FLJARDQGMVFXQJ-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001506872350 1114942608 /nfs/dbraw/zinc/94/26/08/1114942608.db2.gz PDZFNKMHKCLENP-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564058 242289436 /nfs/dbraw/zinc/28/94/36/242289436.db2.gz UNJCKZJPDWCNGC-ROUUACIJSA-N 2 0 328.460 2.186 20 30 EEEDRP N#Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397627041 268072384 /nfs/dbraw/zinc/07/23/84/268072384.db2.gz YPSIJBRTOSPOHH-UHFFFAOYSA-N 2 0 325.412 2.268 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330840 279303060 /nfs/dbraw/zinc/30/30/60/279303060.db2.gz BUBBLRNRIZQAEY-GOSISDBHSA-N 2 0 328.460 2.046 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000291605859 464156534 /nfs/dbraw/zinc/15/65/34/464156534.db2.gz JCCMVKZLIXSBAV-AZUAARDMSA-N 2 0 348.535 2.422 20 30 EEEDRP CCCCNC(=[NH2+])NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000264117714 464285532 /nfs/dbraw/zinc/28/55/32/464285532.db2.gz TWOMBWSJYJAXTC-UHFFFAOYSA-N 2 0 331.508 2.029 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000264316293 464295456 /nfs/dbraw/zinc/29/54/56/464295456.db2.gz WDMRQRWFQWGZAH-SJORKVTESA-N 2 0 347.507 2.114 20 30 EEEDRP C#CC[N@@H+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984927 464670983 /nfs/dbraw/zinc/67/09/83/464670983.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 0 349.906 2.256 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329389929 465319231 /nfs/dbraw/zinc/31/92/31/465319231.db2.gz SCWZYMXJRHIFJN-MRXNPFEDSA-N 2 0 331.464 2.296 20 30 EEEDRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919324 468433879 /nfs/dbraw/zinc/43/38/79/468433879.db2.gz TXSUDPNAMZQQRZ-KSSFIOAISA-N 2 0 328.460 2.012 20 30 EEEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429763 465527784 /nfs/dbraw/zinc/52/77/84/465527784.db2.gz BXARFBQXSRGOLQ-UFYCRDLUSA-N 2 0 339.483 2.227 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000417059871 466767755 /nfs/dbraw/zinc/76/77/55/466767755.db2.gz IVDBXQIXXNNNSH-AEFFLSMTSA-N 2 0 336.524 2.454 20 30 EEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693900 468169996 /nfs/dbraw/zinc/16/99/96/468169996.db2.gz MLVSAZSSEVMPSL-LZQZEXGQSA-N 2 0 340.471 2.166 20 30 EEEDRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595620638 468926261 /nfs/dbraw/zinc/92/62/61/468926261.db2.gz NYZHLJYYYRVIIQ-WMZOPIPTSA-N 2 0 328.460 2.031 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H](C)C1 ZINC000598609615 468931899 /nfs/dbraw/zinc/93/18/99/468931899.db2.gz SXNGJUOHZNTSDK-IKGGRYGDSA-N 2 0 325.497 2.014 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968437 469593608 /nfs/dbraw/zinc/59/36/08/469593608.db2.gz ZIJMLLCKMBYIGQ-IRXDYDNUSA-N 2 0 334.508 2.126 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000644531771 470975363 /nfs/dbraw/zinc/97/53/63/470975363.db2.gz IQQKJPNTEOHUTG-VQIMIIECSA-N 2 0 330.472 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000103112972 526916271 /nfs/dbraw/zinc/91/62/71/526916271.db2.gz RVOXGUQGPDRCCV-UHFFFAOYSA-N 2 0 341.499 2.230 20 30 EEEDRP CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cccc(OCC[NH+](C)C)c1 ZINC000753929768 577796400 /nfs/dbraw/zinc/79/64/00/577796400.db2.gz RXBHBGBAPVGBBD-ROUUACIJSA-N 2 0 343.475 2.211 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001020508232 674969827 /nfs/dbraw/zinc/96/98/27/674969827.db2.gz PORZPGOOOLVWPW-QZHFEQFPSA-N 2 0 340.471 2.025 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173998 675876975 /nfs/dbraw/zinc/87/69/75/675876975.db2.gz KMFMIIYVIQCVMK-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971795130 676800041 /nfs/dbraw/zinc/80/00/41/676800041.db2.gz PHPQTGGTUWFVCA-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370350 676853921 /nfs/dbraw/zinc/85/39/21/676853921.db2.gz GVCPCMFKTLROAR-BETUJISGSA-N 2 0 349.232 2.093 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000176664977 678357042 /nfs/dbraw/zinc/35/70/42/678357042.db2.gz VQJRZMDYNBSVEA-APWZRJJASA-N 2 0 336.524 2.229 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023122863 679133763 /nfs/dbraw/zinc/13/37/63/679133763.db2.gz IAJBGCOKTHBHLV-FDCRZUCXSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023397133 679289631 /nfs/dbraw/zinc/28/96/31/679289631.db2.gz XNURXEGAESMTEX-HNNXBMFYSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647430 679448063 /nfs/dbraw/zinc/44/80/63/679448063.db2.gz ZZRLAUHFAQSCIX-SFHVURJKSA-N 2 0 327.472 2.213 20 30 EEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001024618233 681286107 /nfs/dbraw/zinc/28/61/07/681286107.db2.gz RTJISMLWQIPDSQ-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001028906899 682460970 /nfs/dbraw/zinc/46/09/70/682460970.db2.gz YFQZRKHFMLIAOW-MRXNPFEDSA-N 2 0 339.443 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC(=C)Cl)CC2)CC1 ZINC001026610610 684788423 /nfs/dbraw/zinc/78/84/23/684788423.db2.gz OJANEOGANIQCOV-UHFFFAOYSA-N 2 0 337.895 2.101 20 30 EEEDRP C[NH+]=C(NCc1cccc(Cl)c1)NC[C@]1(N(C)C)CCSC1 ZINC000262423166 685995679 /nfs/dbraw/zinc/99/56/79/685995679.db2.gz GIUKSVUCOUECOF-MRXNPFEDSA-N 2 0 340.924 2.442 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262446945 686113238 /nfs/dbraw/zinc/11/32/38/686113238.db2.gz QOYRUNILCZRHCK-XHSDSOJGSA-N 2 0 336.524 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC001027693532 693999862 /nfs/dbraw/zinc/99/98/62/693999862.db2.gz DSBCZGAQSQGHLD-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978972908 694068056 /nfs/dbraw/zinc/06/80/56/694068056.db2.gz LWGHODJBTZITTH-XGBSXSJOSA-N 2 0 328.460 2.021 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001027421059 688059351 /nfs/dbraw/zinc/05/93/51/688059351.db2.gz ILPMJLNXQWYKDO-QGZVFWFLSA-N 2 0 330.476 2.261 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244319 692467005 /nfs/dbraw/zinc/46/70/05/692467005.db2.gz ITVCCYRGXNHGSG-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040245692 692636804 /nfs/dbraw/zinc/63/68/04/692636804.db2.gz WMDSPLYLJRVGMH-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001027600781 693418389 /nfs/dbraw/zinc/41/83/89/693418389.db2.gz MBYUUYUGEXNOSE-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001105487195 1188103872 /nfs/dbraw/zinc/10/38/72/1188103872.db2.gz UHAIEIJTTMWSCY-UHFFFAOYSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577064 1188190978 /nfs/dbraw/zinc/19/09/78/1188190978.db2.gz PVMFZYRIWLQCED-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033777372 1195262246 /nfs/dbraw/zinc/26/22/46/1195262246.db2.gz VIFDQZNONZTPBT-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544348 1196371211 /nfs/dbraw/zinc/37/12/11/1196371211.db2.gz QFXLLYADWYBPTP-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP C[N@H+](CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1)CC(C)(C)C ZINC001133899839 1199164252 /nfs/dbraw/zinc/16/42/52/1199164252.db2.gz ZVKHJQXVXIJAES-UHFFFAOYSA-N 2 0 349.906 2.375 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728909 1199775656 /nfs/dbraw/zinc/77/56/56/1199775656.db2.gz CWYXVUZQZOABQG-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134739276 1199781915 /nfs/dbraw/zinc/78/19/15/1199781915.db2.gz BQZHIDJRGLQGCS-IAGOWNOFSA-N 2 0 339.524 2.184 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC=C)C2)CC1 ZINC001132517649 1199800772 /nfs/dbraw/zinc/80/07/72/1199800772.db2.gz GFAOSCIKYVGTMP-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086700603 1200459219 /nfs/dbraw/zinc/45/92/19/1200459219.db2.gz APWQIUUCXCAEDZ-XUWVNRHRSA-N 2 0 327.900 2.344 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338431 1200762673 /nfs/dbraw/zinc/76/26/73/1200762673.db2.gz VLXYWGQXNJFTLC-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001133410564 1200880069 /nfs/dbraw/zinc/88/00/69/1200880069.db2.gz NMLZDMAZWDCBIX-KRWDZBQOSA-N 2 0 347.890 2.233 20 30 EEEDRP C#CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000886660727 1202541247 /nfs/dbraw/zinc/54/12/47/1202541247.db2.gz DXUKBZQJNUVYRS-MJGOQNOKSA-N 2 0 329.488 2.375 20 30 EEEDRP C[NH+](C)CCN1C(=O)C2(CCN(CCC#N)CC2)[C@@H]1c1ccccc1 ZINC001274031033 1204336984 /nfs/dbraw/zinc/33/69/84/1204336984.db2.gz FTDIGCYCUNCAAZ-SFHVURJKSA-N 2 0 340.471 2.127 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)CC1 ZINC000948069988 1208853945 /nfs/dbraw/zinc/85/39/45/1208853945.db2.gz LYWHKQXFUUDGCR-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC000949114966 1209541424 /nfs/dbraw/zinc/54/14/24/1209541424.db2.gz OESPCANFOKUNLF-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP CC(C)[NH+](CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C(C)C ZINC000303691791 1213891288 /nfs/dbraw/zinc/89/12/88/1213891288.db2.gz AUZZCIMFOFBSSM-UHFFFAOYSA-N 2 0 349.498 2.381 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Br ZINC000303771056 1213903425 /nfs/dbraw/zinc/90/34/25/1213903425.db2.gz CHQIOFVLPWEOBM-ZDUSSCGKSA-N 2 0 339.281 2.338 20 30 EEEDRP [NH2+]=C(NCCC[NH+]1CCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303785150 1213904826 /nfs/dbraw/zinc/90/48/26/1213904826.db2.gz QAQSLICHOSKKRX-UHFFFAOYSA-N 2 0 349.910 2.263 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793034 1213906438 /nfs/dbraw/zinc/90/64/38/1213906438.db2.gz YVVAVDSCTJXGKV-MOPGFXCFSA-N 3 0 343.519 2.212 20 30 EEEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000303897809 1213921929 /nfs/dbraw/zinc/92/19/29/1213921929.db2.gz VDUKRVAMUXNKBH-CQSZACIVSA-N 2 0 332.448 2.306 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550105 1215202441 /nfs/dbraw/zinc/20/24/41/1215202441.db2.gz JXEYDPVEXULTRR-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154978 1217061481 /nfs/dbraw/zinc/06/14/81/1217061481.db2.gz ILBJIPJUWXNSEU-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224947 1217096963 /nfs/dbraw/zinc/09/69/63/1217096963.db2.gz FJLWFMNVTLWFBH-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233211 1217100778 /nfs/dbraw/zinc/10/07/78/1217100778.db2.gz UTVSOAVFBLSZDU-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432208 1217187531 /nfs/dbraw/zinc/18/75/31/1217187531.db2.gz PNXKDCGAPLERPM-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961431867 1217187680 /nfs/dbraw/zinc/18/76/80/1217187680.db2.gz OINHWEBARDZJIT-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961434202 1217188708 /nfs/dbraw/zinc/18/87/08/1217188708.db2.gz ZCHAYYNCUPVZOP-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961570406 1217226733 /nfs/dbraw/zinc/22/67/33/1217226733.db2.gz XAECJMFKRBMEIH-HCXYKTFWSA-N 2 0 331.504 2.406 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314932 1217507227 /nfs/dbraw/zinc/50/72/27/1217507227.db2.gz QIFHEYDBBVDMOU-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000965064960 1218869441 /nfs/dbraw/zinc/86/94/41/1218869441.db2.gz RZJRSKYCXPMLOU-DPGVGJJJSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@@H]1CC ZINC001037966687 1220796398 /nfs/dbraw/zinc/79/63/98/1220796398.db2.gz MLZIMUZSPFFAPQ-RDJZCZTQSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC001037985319 1220890614 /nfs/dbraw/zinc/89/06/14/1220890614.db2.gz VBXZVXQTIHMGCZ-HKUYNNGSSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887281 1221646154 /nfs/dbraw/zinc/64/61/54/1221646154.db2.gz AEAFFBYVQLVOGH-OALUTQOASA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887680 1221646910 /nfs/dbraw/zinc/64/69/10/1221646910.db2.gz JSQDRQPNIOILJI-RTBURBONSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001007520043 1222274944 /nfs/dbraw/zinc/27/49/44/1222274944.db2.gz WTTJKCSNCFCQBY-UXHICEINSA-N 2 0 339.483 2.173 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001016336655 1226360438 /nfs/dbraw/zinc/36/04/38/1226360438.db2.gz MTMCMXLGGORDMP-IBGZPJMESA-N 2 0 329.488 2.023 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862284 1226929102 /nfs/dbraw/zinc/92/91/02/1226929102.db2.gz VNRVQVQZDHXBBA-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143992 1230362324 /nfs/dbraw/zinc/36/23/24/1230362324.db2.gz FQWBJDNNNRAPDN-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182170 1230409745 /nfs/dbraw/zinc/40/97/45/1230409745.db2.gz KHGPJPLTWBEDLC-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182914 1230409982 /nfs/dbraw/zinc/40/99/82/1230409982.db2.gz UMZFZDXWTACCCJ-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001054788963 1249066964 /nfs/dbraw/zinc/06/69/64/1249066964.db2.gz ALCZDPDWKDORJN-HIFRSBDPSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001054788962 1249067032 /nfs/dbraw/zinc/06/70/32/1249067032.db2.gz ALCZDPDWKDORJN-DZGCQCFKSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313569 1231164606 /nfs/dbraw/zinc/16/46/06/1231164606.db2.gz LLBORBJCBRMQAU-FPOVZHCZSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699991 1231340228 /nfs/dbraw/zinc/34/02/28/1231340228.db2.gz FYVUAVHVFOQPDM-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285144 1231494718 /nfs/dbraw/zinc/49/47/18/1231494718.db2.gz AZMBABZWFLDSPJ-AZUAARDMSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432790 1231544524 /nfs/dbraw/zinc/54/45/24/1231544524.db2.gz SRAJXUGOTARQJL-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769470 1231684792 /nfs/dbraw/zinc/68/47/92/1231684792.db2.gz PWFRSSYVUXJWQJ-HXUWFJFHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297616 1232012899 /nfs/dbraw/zinc/01/28/99/1232012899.db2.gz RYVIDXCAKWJKOV-PKOBYXMFSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001042367568 1232049507 /nfs/dbraw/zinc/04/95/07/1232049507.db2.gz HZVUGUZRPZNQNZ-AZUAARDMSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538911 1237912374 /nfs/dbraw/zinc/91/23/74/1237912374.db2.gz FRSRZMMUKVIDKJ-IYWMVGAKSA-N 2 0 345.531 2.489 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001048539511 1237913465 /nfs/dbraw/zinc/91/34/65/1237913465.db2.gz QEKNALCIINGKOI-BJWYYQGGSA-N 2 0 336.439 2.249 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048864455 1239075068 /nfs/dbraw/zinc/07/50/68/1239075068.db2.gz ZMEFPQHUFQIWQH-ZIFCJYIRSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC001000174948 1240027177 /nfs/dbraw/zinc/02/71/77/1240027177.db2.gz SCFRPUKSDKOVFN-SFHVURJKSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000687128 1240735352 /nfs/dbraw/zinc/73/53/52/1240735352.db2.gz WETJGSXMWBEJOZ-GOSISDBHSA-N 2 0 329.488 2.023 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477927 1241073664 /nfs/dbraw/zinc/07/36/64/1241073664.db2.gz KLVLWUAEKJYOFO-QZTJIDSGSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049719913 1241986796 /nfs/dbraw/zinc/98/67/96/1241986796.db2.gz PINVTAFRDWZQJO-GPMSIDNRSA-N 2 0 337.483 2.450 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821303 1242735565 /nfs/dbraw/zinc/73/55/65/1242735565.db2.gz GMJARGVRZANSPB-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937876 1245516028 /nfs/dbraw/zinc/51/60/28/1245516028.db2.gz OHOLQNJRHUWIFX-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)O2 ZINC001053605836 1246522628 /nfs/dbraw/zinc/52/26/28/1246522628.db2.gz MTCHKEKXQBBXPO-ROUUACIJSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527257 1247489495 /nfs/dbraw/zinc/48/94/95/1247489495.db2.gz VFBPGLRGGVKWFZ-OAHLLOKOSA-N 2 0 325.884 2.338 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171471 1247596969 /nfs/dbraw/zinc/59/69/69/1247596969.db2.gz RFWAWZWYKVJGQW-FPOVZHCZSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243781 1254087548 /nfs/dbraw/zinc/08/75/48/1254087548.db2.gz LGJHASJJIUDLEW-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001101039518 1259603641 /nfs/dbraw/zinc/60/36/41/1259603641.db2.gz PLAXCHRXZFTOAK-UHFFFAOYSA-N 2 0 346.450 2.022 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@@H](C)C2)CC1 ZINC001185730777 1278767591 /nfs/dbraw/zinc/76/75/91/1278767591.db2.gz NVOMNNUDIKIGLQ-PXNSSMCTSA-N 2 0 345.531 2.206 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001134762738 1278012306 /nfs/dbraw/zinc/01/23/06/1278012306.db2.gz DYIIWHWUCVEPEE-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177604 1280722817 /nfs/dbraw/zinc/72/28/17/1280722817.db2.gz RBJCEXPOLNMJTM-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001191020147 1281180103 /nfs/dbraw/zinc/18/01/03/1281180103.db2.gz UYGZJKDZWCLFKT-IBGZPJMESA-N 2 0 341.499 2.301 20 30 EEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191296551 1281309398 /nfs/dbraw/zinc/30/93/98/1281309398.db2.gz WMXXVSPOBBJLHB-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CCN1C(=O)C2(CC[NH+](CCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC001273711304 1283886859 /nfs/dbraw/zinc/88/68/59/1283886859.db2.gz AFSBJBIKLGLVKY-LJQANCHMSA-N 2 0 339.483 2.237 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1OC ZINC001198784371 1285331367 /nfs/dbraw/zinc/33/13/67/1285331367.db2.gz BVCQKWMZTXWEGZ-QGZVFWFLSA-N 2 0 343.471 2.257 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198760453 1285348683 /nfs/dbraw/zinc/34/86/83/1285348683.db2.gz WXDHROVKAFRKLB-MJGOQNOKSA-N 2 0 345.487 2.358 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC001201238947 1289374038 /nfs/dbraw/zinc/37/40/38/1289374038.db2.gz DUQXAJOHLDYKDU-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389535 1289554295 /nfs/dbraw/zinc/55/42/95/1289554295.db2.gz MFDMABITZWYVKO-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001211234141 1295773003 /nfs/dbraw/zinc/77/30/03/1295773003.db2.gz VJARZIAFPIDTTC-UEKDZROGSA-N 2 0 331.504 2.269 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001218787089 1297793974 /nfs/dbraw/zinc/79/39/74/1297793974.db2.gz ARYJJQGWVOKNPD-NSHDSACASA-N 2 0 349.485 2.399 20 30 EEEDRP N#Cc1ccc(-c2csc(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)n2)s1 ZINC001218787644 1297794784 /nfs/dbraw/zinc/79/47/84/1297794784.db2.gz IUOKKNJNKIUDBG-CYBMUJFWSA-N 2 0 347.469 2.009 20 30 EEEDRP N#CC1(NC(=O)c2ccccc2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220646133 1298487521 /nfs/dbraw/zinc/48/75/21/1298487521.db2.gz MJJUMBVWPRBWAV-UHFFFAOYSA-N 2 0 348.450 2.433 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220785924 1298538468 /nfs/dbraw/zinc/53/84/68/1298538468.db2.gz GWHGGVFONIMADV-OKZBNKHCSA-N 2 0 330.476 2.312 20 30 EEEDRP C=CCN(CCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1)C(=O)OCC ZINC001222595595 1299715252 /nfs/dbraw/zinc/71/52/52/1299715252.db2.gz DRHVSHBMKNIGRZ-GOSISDBHSA-N 2 0 343.471 2.320 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@H+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846328 1303497321 /nfs/dbraw/zinc/49/73/21/1303497321.db2.gz FSZWWMFBUKHTTM-SFHVURJKSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846327 1303497587 /nfs/dbraw/zinc/49/75/87/1303497587.db2.gz FSZWWMFBUKHTTM-GOSISDBHSA-N 2 0 344.503 2.450 20 30 EEEDRP Cc1cc(C#N)ccc1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001233083507 1304356223 /nfs/dbraw/zinc/35/62/23/1304356223.db2.gz NXOUQDGTLLBLTO-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP Cn1c[nH+]cc1N1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277765162 1304368365 /nfs/dbraw/zinc/36/83/65/1304368365.db2.gz BOWFMIUBSXEIOP-IBGZPJMESA-N 2 0 338.459 2.123 20 30 EEEDRP CCCCCCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307346 1305556678 /nfs/dbraw/zinc/55/66/78/1305556678.db2.gz AQWOSYFAPAXVPG-UHFFFAOYSA-N 2 0 328.545 2.243 20 30 EEEDRP C=CCCCCCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308921 1305558313 /nfs/dbraw/zinc/55/83/13/1305558313.db2.gz JBYODEZQHBHSRZ-UHFFFAOYSA-N 2 0 340.556 2.409 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448662 1309545349 /nfs/dbraw/zinc/54/53/49/1309545349.db2.gz DCAKGLOWBRLXOD-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP N#Cc1c2c(cnc1C1=CC[C@H]([NH+]3CCOCC3)CC1)C[NH2+]CCC2 ZINC001245417938 1310095189 /nfs/dbraw/zinc/09/51/89/1310095189.db2.gz FARWPVGDYUEGCQ-KRWDZBQOSA-N 2 0 338.455 2.257 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149860766 1316070124 /nfs/dbraw/zinc/07/01/24/1316070124.db2.gz KCONORQMZRNMLT-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP CC1([NH+]2CCCC2)CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001157652490 1318773206 /nfs/dbraw/zinc/77/32/06/1318773206.db2.gz RBPWHQXBZUCHEM-UHFFFAOYSA-N 2 0 339.487 2.444 20 30 EEEDRP C/C(NC1CCC([NH+]2CCOCC2)CC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001256689489 1318834919 /nfs/dbraw/zinc/83/49/19/1318834919.db2.gz WRQREDSHMBFOGV-UHFFFAOYSA-N 3 0 344.503 2.297 20 30 EEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001158397215 1319219501 /nfs/dbraw/zinc/21/95/01/1319219501.db2.gz KDKZZRWMVSALAP-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)s1 ZINC001160833839 1320284104 /nfs/dbraw/zinc/28/41/04/1320284104.db2.gz AHIBAOVGDBLURZ-UHFFFAOYSA-N 2 0 346.500 2.092 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001163820601 1321224782 /nfs/dbraw/zinc/22/47/82/1321224782.db2.gz GMWPREZQXYFDNF-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC001166744405 1321779962 /nfs/dbraw/zinc/77/99/62/1321779962.db2.gz VIUVRMZZGHDIKT-UHFFFAOYSA-N 2 0 347.478 2.251 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166802293 1321789979 /nfs/dbraw/zinc/78/99/79/1321789979.db2.gz JTAVAHWKVFAQSO-GOSISDBHSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557778 1321911990 /nfs/dbraw/zinc/91/19/90/1321911990.db2.gz PKCVARZSWREKTA-ZWKOTPCHSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]C/C=C/Cl)C23CCC3)CC1 ZINC001203773662 1321958189 /nfs/dbraw/zinc/95/81/89/1321958189.db2.gz WDADVJAGSILCKV-VAJLHQMSSA-N 2 0 349.906 2.101 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203773604 1321958479 /nfs/dbraw/zinc/95/84/79/1321958479.db2.gz VZWNLUNNOIQEET-RTBURBONSA-N 2 0 339.483 2.402 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1F ZINC001205644910 1323227208 /nfs/dbraw/zinc/22/72/08/1323227208.db2.gz MJLFDGDFSAYCLS-FUHWJXTLSA-N 2 0 345.462 2.238 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206890263 1323673447 /nfs/dbraw/zinc/67/34/47/1323673447.db2.gz JCOABGJDPKTSPF-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104196 1323850689 /nfs/dbraw/zinc/85/06/89/1323850689.db2.gz NKITVGQOVFPCQS-IBGZPJMESA-N 2 0 330.476 2.220 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453692 1324506096 /nfs/dbraw/zinc/50/60/96/1324506096.db2.gz NBRUQRATVQHJOP-ZDUSSCGKSA-N 2 0 346.313 2.206 20 30 EEEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676893 1324617328 /nfs/dbraw/zinc/61/73/28/1324617328.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 0 349.906 2.350 20 30 EEEDRP CCOCCCNC(NC(C)(C)C)=[NH+]CCC1CC[NH+](C)CC1 ZINC001335317429 1336362996 /nfs/dbraw/zinc/36/29/96/1336362996.db2.gz YVAAJCBSQVLGET-UHFFFAOYSA-N 2 0 326.529 2.479 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001100620180 1338558098 /nfs/dbraw/zinc/55/80/98/1338558098.db2.gz YZNLDFVFVDPNSV-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001647559981 1353325796 /nfs/dbraw/zinc/32/57/96/1353325796.db2.gz POLYTWFVCNPVRF-RBUKOAKNSA-N 2 0 343.471 2.010 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001647559984 1353326081 /nfs/dbraw/zinc/32/60/81/1353326081.db2.gz POLYTWFVCNPVRF-RTBURBONSA-N 2 0 343.471 2.010 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001392025072 1389776169 /nfs/dbraw/zinc/77/61/69/1389776169.db2.gz VKAGPJBYGRQYOR-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP C[C@@H]1C[N@H+](CCC[NH+]=C(NCc2ccccc2)N(C)C)CCCO1 ZINC000849104688 1373241271 /nfs/dbraw/zinc/24/12/71/1373241271.db2.gz UKWLIYMSOGQSPA-QGZVFWFLSA-N 2 0 332.492 2.195 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001366330009 1373878082 /nfs/dbraw/zinc/87/80/82/1373878082.db2.gz NHPSVWBXFALTSQ-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001366462807 1373907572 /nfs/dbraw/zinc/90/75/72/1373907572.db2.gz IWXKAWDAYBNYSQ-KDOFPFPSSA-N 2 0 348.466 2.268 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000307 1378910197 /nfs/dbraw/zinc/91/01/97/1378910197.db2.gz UFXFXFGHCGOJJS-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001378410909 1379923817 /nfs/dbraw/zinc/92/38/17/1379923817.db2.gz OAZATXYJNCMOEO-FUHWJXTLSA-N 2 0 348.516 2.334 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001379905655 1380939877 /nfs/dbraw/zinc/93/98/77/1380939877.db2.gz BAHQFMXKQWAZQC-IRXDYDNUSA-N 2 0 348.516 2.190 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1)[NH+](C)C ZINC001380875873 1381414606 /nfs/dbraw/zinc/41/46/06/1381414606.db2.gz AEPCQVIKCXZMDD-GOSISDBHSA-N 2 0 342.487 2.273 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895165 1389692121 /nfs/dbraw/zinc/69/21/21/1389692121.db2.gz QHCRPONMODYBAN-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001392131523 1389832788 /nfs/dbraw/zinc/83/27/88/1389832788.db2.gz LZZOQFJXNZMSTG-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001394855983 1390759704 /nfs/dbraw/zinc/75/97/04/1390759704.db2.gz AKHSYKPCTRAQLI-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001399083647 1394679858 /nfs/dbraw/zinc/67/98/58/1394679858.db2.gz ASBYKBJMZARFAT-MRXNPFEDSA-N 2 0 342.487 2.273 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001755062919 1407072160 /nfs/dbraw/zinc/07/21/60/1407072160.db2.gz HNLZPUCAXCPWEF-IAGOWNOFSA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001755116668 1407126704 /nfs/dbraw/zinc/12/67/04/1407126704.db2.gz SHUZSMZWDHBFBY-HKUYNNGSSA-N 2 0 329.488 2.174 20 30 EEEDRP C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755188659 1407196032 /nfs/dbraw/zinc/19/60/32/1407196032.db2.gz IHUQMKKDIHODPN-UXHICEINSA-N 2 0 339.483 2.055 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979071 1401828336 /nfs/dbraw/zinc/82/83/36/1401828336.db2.gz XVLOJPGEYFMGGM-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001577710968 1403670426 /nfs/dbraw/zinc/67/04/26/1403670426.db2.gz KSSQYAMPUUIPAO-FUHWJXTLSA-N 2 0 334.508 2.368 20 30 EEEDRP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755548196 1407624011 /nfs/dbraw/zinc/62/40/11/1407624011.db2.gz WGMCQMUPVJDXNZ-RTBURBONSA-N 2 0 327.472 2.189 20 30 EEEDRP C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001755614585 1407682339 /nfs/dbraw/zinc/68/23/39/1407682339.db2.gz NQIXBXCHBHLAOS-KRWDZBQOSA-N 2 0 347.478 2.346 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167258009 757585398 /nfs/dbraw/zinc/58/53/98/757585398.db2.gz OALAISYDIJKUFC-ZDUSSCGKSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458276 760843556 /nfs/dbraw/zinc/84/35/56/760843556.db2.gz AGZNUPGCZKEMAF-RTBURBONSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461817 760940792 /nfs/dbraw/zinc/94/07/92/760940792.db2.gz SCGPQSMNYYOEOS-RBUKOAKNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676970 770102975 /nfs/dbraw/zinc/10/29/75/770102975.db2.gz XJGZDNGSAKTPBQ-RBUKOAKNSA-N 2 0 341.499 2.182 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083927 782881939 /nfs/dbraw/zinc/88/19/39/782881939.db2.gz PIRZJUMTQSMCEM-WBVHZDCISA-N 2 0 331.460 2.311 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H](C)C1 ZINC000942717968 783048439 /nfs/dbraw/zinc/04/84/39/783048439.db2.gz AYQDPDYYOIAUED-WBVHZDCISA-N 2 0 346.475 2.287 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942721462 783053230 /nfs/dbraw/zinc/05/32/30/783053230.db2.gz LFFIRYOFIDWBEL-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212727 783065357 /nfs/dbraw/zinc/06/53/57/783065357.db2.gz LIVSOHLCIBKKAS-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112181907 783122212 /nfs/dbraw/zinc/12/22/12/783122212.db2.gz DEWBOVVPKZGAER-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980212165 774103015 /nfs/dbraw/zinc/10/30/15/774103015.db2.gz IGEBEGLMKULNAT-ARFHVFGLSA-N 2 0 328.460 2.164 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717897 774677867 /nfs/dbraw/zinc/67/78/67/774677867.db2.gz HRAAHMIVCQKKSA-GOSISDBHSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028136874 778357181 /nfs/dbraw/zinc/35/71/81/778357181.db2.gz AQMVKXOXBYTONJ-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052596 778999750 /nfs/dbraw/zinc/99/97/50/778999750.db2.gz RINBGCJCZSLAFC-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982072143 779058391 /nfs/dbraw/zinc/05/83/91/779058391.db2.gz XYIMOAJCXQXBQS-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160041 781670822 /nfs/dbraw/zinc/67/08/22/781670822.db2.gz OYHPRZJBNKJYKG-BFHYXJOUSA-N 2 0 335.414 2.272 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087572660 781866706 /nfs/dbraw/zinc/86/67/06/781866706.db2.gz AMGXOJNUBOMZIY-NZSAHSFTSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575042 783899639 /nfs/dbraw/zinc/89/96/39/783899639.db2.gz OMNINOIJEMVWLJ-MOPGFXCFSA-N 2 0 333.520 2.443 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975762 784924914 /nfs/dbraw/zinc/92/49/14/784924914.db2.gz BZJINHLRYCIDRP-DLBZAZTESA-N 2 0 347.478 2.392 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976502 784925733 /nfs/dbraw/zinc/92/57/33/784925733.db2.gz KNECUBRHYWWAJS-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995823996 785725060 /nfs/dbraw/zinc/72/50/60/785725060.db2.gz PJKFKMSUDURCHO-FUHWJXTLSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)[NH+](C)C ZINC000995950452 785846452 /nfs/dbraw/zinc/84/64/52/785846452.db2.gz NSQWJBICTQLRGK-QZTJIDSGSA-N 2 0 342.487 2.225 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001036306320 786217013 /nfs/dbraw/zinc/21/70/13/786217013.db2.gz WUDPOJKXQRFNKD-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996670974 787090883 /nfs/dbraw/zinc/09/08/83/787090883.db2.gz LLJMTSVMRPNLGK-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC000996696904 787175345 /nfs/dbraw/zinc/17/53/45/787175345.db2.gz DNMJLGJPWVHKJP-QGZVFWFLSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582816 787719151 /nfs/dbraw/zinc/71/91/51/787719151.db2.gz XXJUJKSTHLYBOH-NVXWUHKLSA-N 2 0 327.900 2.442 20 30 EEEDRP CC(C)(C)[NH+]=C(NCc1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000912499556 788210740 /nfs/dbraw/zinc/21/07/40/788210740.db2.gz QVSRWLOARZUUOX-ZWKOTPCHSA-N 2 0 344.503 2.384 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001127066868 788317406 /nfs/dbraw/zinc/31/74/06/788317406.db2.gz UBXZWWLPIRBUHS-GOSISDBHSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1F ZINC000825160683 788492970 /nfs/dbraw/zinc/49/29/70/788492970.db2.gz UTIJNUAPPXUXPC-MRXNPFEDSA-N 2 0 346.450 2.185 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735658 805914315 /nfs/dbraw/zinc/91/43/15/805914315.db2.gz QWLJCKVQLAOYMP-YRXWBPOGSA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000923376156 789458505 /nfs/dbraw/zinc/45/85/05/789458505.db2.gz UVLONBNRJKWUIZ-CGTJXYLNSA-N 2 0 348.487 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCC=C)C[C@H]3CC2)CC1 ZINC000946902608 789556539 /nfs/dbraw/zinc/55/65/39/789556539.db2.gz RANVRHDEKLXLKL-BGYRXZFFSA-N 2 0 343.515 2.078 20 30 EEEDRP [NH2+]=C(Nc1ccc(N2CC[NH2+]CC2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171183910 789796011 /nfs/dbraw/zinc/79/60/11/789796011.db2.gz BOJFBMCRVNQDEZ-UHFFFAOYSA-N 2 0 347.422 2.387 20 30 EEEDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171202868 789998538 /nfs/dbraw/zinc/99/85/38/789998538.db2.gz HHUJDPCYXITHBZ-OAHLLOKOSA-N 2 0 329.444 2.236 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086934656 793073294 /nfs/dbraw/zinc/07/32/94/793073294.db2.gz WPMYYNCRAOTKTA-MJGOQNOKSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943942 793449139 /nfs/dbraw/zinc/44/91/39/793449139.db2.gz KYWXWFKRBAKARX-NSHGMRRFSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999098312 793781514 /nfs/dbraw/zinc/78/15/14/793781514.db2.gz FBKVUBNBKBMRPJ-UHFFFAOYSA-N 2 0 325.416 2.036 20 30 EEEDRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999342755 794331378 /nfs/dbraw/zinc/33/13/78/794331378.db2.gz NMKYXXWAVXYBRW-UHFFFAOYSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC[C@@H](C)F)CC3)CC1 ZINC000992515706 794472271 /nfs/dbraw/zinc/47/22/71/794472271.db2.gz ZRBOVTSSPVUSCD-POAQFYNOSA-N 2 0 349.494 2.193 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199997 795239945 /nfs/dbraw/zinc/23/99/45/795239945.db2.gz UQOPJNBYRCZRMT-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)N(C)C ZINC001032725280 795259855 /nfs/dbraw/zinc/25/98/55/795259855.db2.gz HXLQOPOPPNKIDA-CMKODMSKSA-N 2 0 327.472 2.325 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106349528 795431318 /nfs/dbraw/zinc/43/13/18/795431318.db2.gz LZNUSEHWIAXBST-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094414058 796201252 /nfs/dbraw/zinc/20/12/52/796201252.db2.gz RDKRUCMUWNGRNL-NLWGTHIKSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726004 796885994 /nfs/dbraw/zinc/88/59/94/796885994.db2.gz QALHYNMPRPNJAR-LSDHHAIUSA-N 2 0 339.911 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820005 797025350 /nfs/dbraw/zinc/02/53/50/797025350.db2.gz TZXIUDURYBXSLR-MOPGFXCFSA-N 2 0 343.515 2.149 20 30 EEEDRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001082574938 797595163 /nfs/dbraw/zinc/59/51/63/797595163.db2.gz AWIYITDUAXGXRO-LZQZEXGQSA-N 2 0 342.487 2.081 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+](C)C ZINC001175049291 797977343 /nfs/dbraw/zinc/97/73/43/797977343.db2.gz SJNMOJQSCGRTDU-HNNXBMFYSA-N 2 0 348.466 2.414 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994497164 798098561 /nfs/dbraw/zinc/09/85/61/798098561.db2.gz JTNDFPHDBUEAFR-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565132 798499046 /nfs/dbraw/zinc/49/90/46/798499046.db2.gz STYRXORLDNLFDS-ICSRJNTNSA-N 2 0 341.499 2.254 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565227 798499068 /nfs/dbraw/zinc/49/90/68/798499068.db2.gz URFKTOLRYVLSQB-LSDHHAIUSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176986002 798674388 /nfs/dbraw/zinc/67/43/88/798674388.db2.gz AUEOBTCJAJQDPO-MRXNPFEDSA-N 2 0 334.489 2.090 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001179481184 799946966 /nfs/dbraw/zinc/94/69/66/799946966.db2.gz GJOFTKDNQYEZBS-YJBOKZPZSA-N 2 0 347.890 2.222 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180100540 800269304 /nfs/dbraw/zinc/26/93/04/800269304.db2.gz ORVHIPWUBCXTEH-UHFFFAOYSA-N 2 0 327.513 2.187 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC001183085578 801448798 /nfs/dbraw/zinc/44/87/98/801448798.db2.gz CDQVZEQXBSJZEC-SFHVURJKSA-N 2 0 343.471 2.038 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001184693164 802129779 /nfs/dbraw/zinc/12/97/79/802129779.db2.gz OSCWEFRLGYDUTH-MSOLQXFVSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623492 802288082 /nfs/dbraw/zinc/28/80/82/802288082.db2.gz KFELVIYFLVTIRW-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004596528 802450360 /nfs/dbraw/zinc/45/03/60/802450360.db2.gz MWZOLOBQVOPHML-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697471 802837171 /nfs/dbraw/zinc/83/71/71/802837171.db2.gz UDBBVDCYJYRHMQ-HSALFYBXSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086399741 802896226 /nfs/dbraw/zinc/89/62/26/802896226.db2.gz KPGCEONHOMRXFX-VGWMRTNUSA-N 2 0 325.884 2.240 20 30 EEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364317 804508778 /nfs/dbraw/zinc/50/87/78/804508778.db2.gz SAUIEVMXKIUSGZ-SFHVURJKSA-N 2 0 339.524 2.306 20 30 EEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365652 808816013 /nfs/dbraw/zinc/81/60/13/808816013.db2.gz SAWCZEUIURVZJB-UXHICEINSA-N 2 0 341.499 2.442 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086659193 812430688 /nfs/dbraw/zinc/43/06/88/812430688.db2.gz NKFHPYKCLOXLAG-JJRVBVJISA-N 2 0 346.500 2.088 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]Cc2cccc(C#N)c2)C2CC2)CCC1 ZINC001445956320 1091901425 /nfs/dbraw/zinc/90/14/25/1091901425.db2.gz DXFNFEISUUJNBP-SFHVURJKSA-N 2 0 340.471 2.027 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440395478 1093574254 /nfs/dbraw/zinc/57/42/54/1093574254.db2.gz NGSNZBUQLYKLKV-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653200 1093925524 /nfs/dbraw/zinc/92/55/24/1093925524.db2.gz YRQKAVCJTBIIDQ-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000066994609 215102508 /nfs/dbraw/zinc/10/25/08/215102508.db2.gz VAWLEPGXQUKGQV-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000104168415 237083957 /nfs/dbraw/zinc/08/39/57/237083957.db2.gz JBMVNSMGTCLOPJ-UHFFFAOYSA-N 2 0 332.448 2.451 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000995213109 781963212 /nfs/dbraw/zinc/96/32/12/781963212.db2.gz PVDWWOCCCFHZAK-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1 ZINC000058358045 285281000 /nfs/dbraw/zinc/28/10/00/285281000.db2.gz SUWLWYAMNWQTBB-SFHVURJKSA-N 2 0 328.460 2.046 20 30 EEEDRP Cc1ccc(C#N)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000270968822 256193166 /nfs/dbraw/zinc/19/31/66/256193166.db2.gz PPHNEPVKACURFF-UHFFFAOYSA-N 2 0 336.443 2.281 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000344966806 161260287 /nfs/dbraw/zinc/26/02/87/161260287.db2.gz GECNWBMMFMIVNN-IRXDYDNUSA-N 2 0 342.487 2.321 20 30 EEEDRP CC(C)[N@H+](C)CC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272919 270022539 /nfs/dbraw/zinc/02/25/39/270022539.db2.gz RISJXNZXICJEQB-GOSISDBHSA-N 2 0 328.460 2.137 20 30 EEEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000550157214 318447789 /nfs/dbraw/zinc/44/77/89/318447789.db2.gz VISIEXLJAKFQPY-HOTGVXAUSA-N 2 0 340.475 2.449 20 30 EEEDRP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000262026603 463928056 /nfs/dbraw/zinc/92/80/56/463928056.db2.gz GNPLICMVOSBYQP-UHFFFAOYSA-N 2 0 327.881 2.211 20 30 EEEDRP C[NH+]=C(NCc1cccn1C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262809523 464048411 /nfs/dbraw/zinc/04/84/11/464048411.db2.gz USEHRKCXQRHAIM-UHFFFAOYSA-N 2 0 331.508 2.487 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264092839 464282203 /nfs/dbraw/zinc/28/22/03/464282203.db2.gz LMQUVBBIVMOYIZ-UHFFFAOYSA-N 2 0 329.492 2.069 20 30 EEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000264100373 464284276 /nfs/dbraw/zinc/28/42/76/464284276.db2.gz MSOLKUVMXURDRO-SFHVURJKSA-N 2 0 331.508 2.248 20 30 EEEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293637645 464415567 /nfs/dbraw/zinc/41/55/67/464415567.db2.gz ROAUZZMQQHZTHA-VQTJNVASSA-N 2 0 326.488 2.428 20 30 EEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000295122471 464714226 /nfs/dbraw/zinc/71/42/26/464714226.db2.gz YUNQXCRVXLJBMN-HNNXBMFYSA-N 2 0 337.489 2.054 20 30 EEEDRP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000330178300 465559295 /nfs/dbraw/zinc/55/92/95/465559295.db2.gz DPDLMDGOPGIJLP-QGZVFWFLSA-N 2 0 333.480 2.444 20 30 EEEDRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353413832 465865991 /nfs/dbraw/zinc/86/59/91/465865991.db2.gz QQDSKBMXMOWCGV-UXHICEINSA-N 2 0 326.488 2.407 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000363882778 466645038 /nfs/dbraw/zinc/64/50/38/466645038.db2.gz BNZZWSBXUZBMCD-UHFFFAOYSA-N 2 0 332.517 2.469 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417532204 466877820 /nfs/dbraw/zinc/87/78/20/466877820.db2.gz SOYRCTNHQYSZES-UHFFFAOYSA-N 2 0 330.476 2.197 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000424143153 466990046 /nfs/dbraw/zinc/99/00/46/466990046.db2.gz WBZODFQBOBIRNW-SFHVURJKSA-N 2 0 328.460 2.310 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693898 468169961 /nfs/dbraw/zinc/16/99/61/468169961.db2.gz MLVSAZSSEVMPSL-ATZDWAIDSA-N 2 0 340.471 2.166 20 30 EEEDRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[NH+]1CCCCC1 ZINC000591760397 468516636 /nfs/dbraw/zinc/51/66/36/468516636.db2.gz AFBOMAZVAIWZMX-HKUYNNGSSA-N 2 0 345.487 2.346 20 30 EEEDRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)C[NH+]1CCCCC1 ZINC000600717527 468631942 /nfs/dbraw/zinc/63/19/42/468631942.db2.gz BNZOHLNCDKSBIO-AEFFLSMTSA-N 2 0 331.460 2.010 20 30 EEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000592470855 468705105 /nfs/dbraw/zinc/70/51/05/468705105.db2.gz MXXDTZRMUAFJQY-NTDBWNAOSA-N 2 0 338.455 2.031 20 30 EEEDRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000611559916 469279263 /nfs/dbraw/zinc/27/92/63/469279263.db2.gz MVRMGQBUKNKKOC-DNVCBOLYSA-N 2 0 340.471 2.374 20 30 EEEDRP C[C@H](CCC#N)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000602447177 469320045 /nfs/dbraw/zinc/32/00/45/469320045.db2.gz BSSZIKCPVZIYTB-MRXNPFEDSA-N 2 0 336.524 2.342 20 30 EEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000602554404 469359043 /nfs/dbraw/zinc/35/90/43/469359043.db2.gz YKNHEMCLEVVUKC-IRXDYDNUSA-N 2 0 335.492 2.176 20 30 EEEDRP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](CCO)CC2)ccc1OC ZINC000105905533 526660742 /nfs/dbraw/zinc/66/07/42/526660742.db2.gz FWTCJBFZFQBTGJ-UHFFFAOYSA-N 2 0 348.487 2.444 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCC)CC1 ZINC000969156365 674647825 /nfs/dbraw/zinc/64/78/25/674647825.db2.gz RBYPKRJYIBYIFO-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679610 675161893 /nfs/dbraw/zinc/16/18/93/675161893.db2.gz HCWZMVQJONBARZ-IAGOWNOFSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](F)CC)CC1 ZINC001021469822 676118752 /nfs/dbraw/zinc/11/87/52/676118752.db2.gz OJWDKUHWOOUHIZ-MVCQKVDPSA-N 2 0 349.494 2.191 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832117 675236613 /nfs/dbraw/zinc/23/66/13/675236613.db2.gz DWKHIJLUENGQAQ-QFBILLFUSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000970922335 676244443 /nfs/dbraw/zinc/24/44/43/676244443.db2.gz WBOBMJRPXGSTPV-INIZCTEOSA-N 2 0 345.531 2.204 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)CCC1 ZINC000971679810 676735381 /nfs/dbraw/zinc/73/53/81/676735381.db2.gz VLOYNUPUEHURLQ-AWEZNQCLSA-N 2 0 346.500 2.137 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000891939758 677721197 /nfs/dbraw/zinc/72/11/97/677721197.db2.gz DUKWSQYVBTVFLM-KZNAEPCWSA-N 2 0 334.508 2.031 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001022596776 677976659 /nfs/dbraw/zinc/97/66/59/677976659.db2.gz TXIQOOOLSAIMKD-ZQDZILKHSA-N 2 0 346.500 2.087 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000972265308 678468748 /nfs/dbraw/zinc/46/87/48/678468748.db2.gz MMEHMCMHABPMEZ-WMLDXEAASA-N 2 0 348.516 2.239 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262829449 679555798 /nfs/dbraw/zinc/55/57/98/679555798.db2.gz RDLNOGVOVZKFSS-SLEUVZQESA-N 2 0 340.393 2.348 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001026900896 685271654 /nfs/dbraw/zinc/27/16/54/685271654.db2.gz GCBLLTXSTZTAFB-MOPGFXCFSA-N 2 0 342.487 2.083 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001024901628 681561965 /nfs/dbraw/zinc/56/19/65/681561965.db2.gz YNQIGGAZMCRPLS-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542067 681865401 /nfs/dbraw/zinc/86/54/01/681865401.db2.gz KWCGINFOYODDOH-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC000992706560 683286184 /nfs/dbraw/zinc/28/61/84/683286184.db2.gz FLMKYDWOCQXESK-HRCADAONSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]12 ZINC001026299545 684218835 /nfs/dbraw/zinc/21/88/35/684218835.db2.gz WOVKVTOJKIADKW-BPQIPLTHSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]12 ZINC001026302077 684220105 /nfs/dbraw/zinc/22/01/05/684220105.db2.gz JMXFWULGGSEUJA-OWCLPIDISA-N 2 0 337.895 2.194 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985328746 686336739 /nfs/dbraw/zinc/33/67/39/686336739.db2.gz XQQOKEKXXXOWEB-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001482429817 1185688542 /nfs/dbraw/zinc/68/85/42/1185688542.db2.gz VFBKETIOVXJLSM-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP N#Cc1cccc(C[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001168145918 1187023696 /nfs/dbraw/zinc/02/36/96/1187023696.db2.gz AYRWRPPLMYMCMZ-UHFFFAOYSA-N 2 0 340.471 2.030 20 30 EEEDRP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001105429192 1187056372 /nfs/dbraw/zinc/05/63/72/1187056372.db2.gz QJRIQNDRGYUGSN-SBHAEUEKSA-N 2 0 341.499 2.156 20 30 EEEDRP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001105435329 1187066334 /nfs/dbraw/zinc/06/63/34/1187066334.db2.gz IWYATINVLBOKII-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]C[C@H](C)CC)CC2)CC1 ZINC001168308501 1188279855 /nfs/dbraw/zinc/27/98/55/1188279855.db2.gz VUDIHXRMHVRJSB-QGZVFWFLSA-N 2 0 333.520 2.254 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccccc1C#N ZINC001409684862 1190186112 /nfs/dbraw/zinc/18/61/12/1190186112.db2.gz KKHJPPLVCKGUGU-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP CCCCCCCCN1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001272478240 1190843930 /nfs/dbraw/zinc/84/39/30/1190843930.db2.gz GVKZAMHMRZVYRJ-ZWKOTPCHSA-N 2 0 345.478 2.483 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808956 1194417001 /nfs/dbraw/zinc/41/70/01/1194417001.db2.gz VFNOBUQUCSJKMF-AQNXPRMDSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819261 1194445617 /nfs/dbraw/zinc/44/56/17/1194445617.db2.gz YMVQCQJPEARULH-FCGDIQPGSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398954 1196189771 /nfs/dbraw/zinc/18/97/71/1196189771.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC001034538575 1196361201 /nfs/dbraw/zinc/36/12/01/1196361201.db2.gz PXUXJEHNLBNEGV-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544347 1196371124 /nfs/dbraw/zinc/37/11/24/1196371124.db2.gz QFXLLYADWYBPTP-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001034607886 1196430282 /nfs/dbraw/zinc/43/02/82/1196430282.db2.gz AYIMVJUWXJGPJG-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607830 1199700573 /nfs/dbraw/zinc/70/05/73/1199700573.db2.gz MFNDXNWYCPUIOI-ZIAGYGMSSA-N 2 0 348.516 2.477 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001134780667 1199809352 /nfs/dbraw/zinc/80/93/52/1199809352.db2.gz RBKURBLCUNJSSH-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001133091779 1200434360 /nfs/dbraw/zinc/43/43/60/1200434360.db2.gz VOXKZEHUMLXDDV-AZUAARDMSA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342419 1200767590 /nfs/dbraw/zinc/76/75/90/1200767590.db2.gz PDUHTXLEFFOVCS-SJLPKXTDSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001133407676 1200874903 /nfs/dbraw/zinc/87/49/03/1200874903.db2.gz LTAPMZWHCPJRQP-QGZVFWFLSA-N 2 0 347.890 2.233 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000104177025 1204612423 /nfs/dbraw/zinc/61/24/23/1204612423.db2.gz WSKGHNVRNWVZHJ-WMZOPIPTSA-N 2 0 332.492 2.399 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001274920274 1205209841 /nfs/dbraw/zinc/20/98/41/1205209841.db2.gz GWFWYOBTABNYTK-UHFFFAOYSA-N 2 0 326.488 2.060 20 30 EEEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001275968850 1205608093 /nfs/dbraw/zinc/60/80/93/1205608093.db2.gz PWDILDWKENKWLV-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362846 1208546812 /nfs/dbraw/zinc/54/68/12/1208546812.db2.gz ZMLYZEUWQIXOFM-GDBMZVCRSA-N 2 0 333.501 2.416 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000948038959 1208834486 /nfs/dbraw/zinc/83/44/86/1208834486.db2.gz CRAMYVLGSUMCNQ-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070697 1208853995 /nfs/dbraw/zinc/85/39/95/1208853995.db2.gz RHDXROGRYHQFOZ-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948436611 1209137309 /nfs/dbraw/zinc/13/73/09/1209137309.db2.gz XSQRFFBXKOQDNR-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642302 1209269109 /nfs/dbraw/zinc/26/91/09/1209269109.db2.gz FRWZRFYTMTXRAB-LJQANCHMSA-N 2 0 341.499 2.350 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC000949251755 1209594938 /nfs/dbraw/zinc/59/49/38/1209594938.db2.gz WIGNYLSAGVLGPM-UHFFFAOYSA-N 2 0 349.519 2.132 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC001006443367 1209706558 /nfs/dbraw/zinc/70/65/58/1209706558.db2.gz BDIXZGBQGQBFML-UHFFFAOYSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529343 1209729483 /nfs/dbraw/zinc/72/94/83/1209729483.db2.gz PTMNJWJRNWELOM-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP CN1CC[N@H+](CCCNC(=[NH2+])NCC2CCC2)[C@@H](c2ccccc2)C1 ZINC000303908973 1213924241 /nfs/dbraw/zinc/92/42/41/1213924241.db2.gz XZOPHDQPPZDCDL-LJQANCHMSA-N 2 0 343.519 2.070 20 30 EEEDRP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1C ZINC000303907470 1213924367 /nfs/dbraw/zinc/92/43/67/1213924367.db2.gz WVUYRGNQJZZDHE-KRWDZBQOSA-N 2 0 331.508 2.210 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[NH+]2CCCC2)cc1 ZINC001037127856 1213954433 /nfs/dbraw/zinc/95/44/33/1213954433.db2.gz XIWONUITJCUWOH-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603063 1215248633 /nfs/dbraw/zinc/24/86/33/1215248633.db2.gz MRUAKDWLZPBGFF-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957625966 1215269172 /nfs/dbraw/zinc/26/91/72/1215269172.db2.gz CUTKMBIEPDHKJH-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC3CC4(CCC4)C3)CC2)CC1 ZINC000957776970 1215421350 /nfs/dbraw/zinc/42/13/50/1215421350.db2.gz YTZVFVVYGBUARS-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP [NH2+]=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCCCCC1 ZINC000305091619 1216145460 /nfs/dbraw/zinc/14/54/60/1216145460.db2.gz XCBBJKQDYMHZKN-UHFFFAOYSA-N 2 0 336.524 2.460 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188432 1217077422 /nfs/dbraw/zinc/07/74/22/1217077422.db2.gz VLLHKNSTQQCHOQ-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219767 1217094869 /nfs/dbraw/zinc/09/48/69/1217094869.db2.gz KEUGGVULIMHXLC-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410819 1217179328 /nfs/dbraw/zinc/17/93/28/1217179328.db2.gz JJRATWNIPVTAPF-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001037848576 1219487454 /nfs/dbraw/zinc/48/74/54/1219487454.db2.gz IHINVKJNMWKKPI-GOEBONIOSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037872895 1219733159 /nfs/dbraw/zinc/73/31/59/1219733159.db2.gz NLCRRRPXWDDPTG-FUHWJXTLSA-N 2 0 333.520 2.489 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001037959858 1220753159 /nfs/dbraw/zinc/75/31/59/1220753159.db2.gz NDERXXMPMDOEOF-GJZGRUSLSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000968997978 1221728960 /nfs/dbraw/zinc/72/89/60/1221728960.db2.gz HQTSLZYAJGHGCK-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016625928 1226700351 /nfs/dbraw/zinc/70/03/51/1226700351.db2.gz QAEHULCPEDAWRR-MJGOQNOKSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788537 1226878497 /nfs/dbraw/zinc/87/84/97/1226878497.db2.gz ZRAVCLJKKTUUKI-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001016989826 1227017710 /nfs/dbraw/zinc/01/77/10/1227017710.db2.gz GJEJPAKYZXWDOQ-SFHVURJKSA-N 2 0 343.471 2.339 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001019813586 1229359946 /nfs/dbraw/zinc/35/99/46/1229359946.db2.gz HTZBBVRMNVPAKO-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156955 1230377174 /nfs/dbraw/zinc/37/71/74/1230377174.db2.gz ZWFWERJWJZLONJ-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235686 1230469004 /nfs/dbraw/zinc/46/90/04/1230469004.db2.gz ZEDUUFYADLPKSW-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040232778 1231119994 /nfs/dbraw/zinc/11/99/94/1231119994.db2.gz UEGBKAAHMAUOQU-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040242716 1231128420 /nfs/dbraw/zinc/12/84/20/1231128420.db2.gz ZZFNMTASECDMAG-FPOVZHCZSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001040720997 1231348040 /nfs/dbraw/zinc/34/80/40/1231348040.db2.gz NKOPEOMBKAINJD-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001040914166 1231403258 /nfs/dbraw/zinc/40/32/58/1231403258.db2.gz JOGHQYLOSIGNTB-UHFFFAOYSA-N 2 0 340.471 2.099 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782581 1231691980 /nfs/dbraw/zinc/69/19/80/1231691980.db2.gz AQFGJVQUQRTPPC-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC001044872258 1233332069 /nfs/dbraw/zinc/33/20/69/1233332069.db2.gz OYKGASCNVYVLAF-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001046951492 1235347676 /nfs/dbraw/zinc/34/76/76/1235347676.db2.gz MMZMSRANBWCQMU-MGPQQGTHSA-N 2 0 338.402 2.163 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047241607 1235728232 /nfs/dbraw/zinc/72/82/32/1235728232.db2.gz FEWVRRVTVOJOML-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047242021 1235729013 /nfs/dbraw/zinc/72/90/13/1235729013.db2.gz AJHZCXDLWSZECQ-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047250002 1235749631 /nfs/dbraw/zinc/74/96/31/1235749631.db2.gz YPTJLIMBLIBZFH-YSIASYRMSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047256561 1235759495 /nfs/dbraw/zinc/75/94/95/1235759495.db2.gz BCRNHTWREUWIAE-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048069337 1237056811 /nfs/dbraw/zinc/05/68/11/1237056811.db2.gz PIPMAWUCNGAZAG-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526032 1237864814 /nfs/dbraw/zinc/86/48/14/1237864814.db2.gz MXUSSNWEFJDATM-QXCFHYIPSA-N 2 0 331.504 2.264 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583164 1238023170 /nfs/dbraw/zinc/02/31/70/1238023170.db2.gz DWACDOHKJYDAAW-LTFPLMDUSA-N 2 0 345.531 2.489 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048864454 1239074119 /nfs/dbraw/zinc/07/41/19/1239074119.db2.gz ZMEFPQHUFQIWQH-SCTDSRPQSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC001000248711 1240100123 /nfs/dbraw/zinc/10/01/23/1240100123.db2.gz OEGCLMWYOUXEPL-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049244063 1240364947 /nfs/dbraw/zinc/36/49/47/1240364947.db2.gz MWWFFNBNCKHVGJ-CALCHBBNSA-N 2 0 343.471 2.149 20 30 EEEDRP C=CCC[N@H+]1CC=C(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001000939874 1241259677 /nfs/dbraw/zinc/25/96/77/1241259677.db2.gz WEGOWRQWIYDAEM-UHFFFAOYSA-N 2 0 337.427 2.205 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826897 1242327112 /nfs/dbraw/zinc/32/71/12/1242327112.db2.gz IYSGDYGIUVKUIQ-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062517 1242755131 /nfs/dbraw/zinc/75/51/31/1242755131.db2.gz VTFRIRAKHWMVFJ-IPMKNSEASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050078514 1242794283 /nfs/dbraw/zinc/79/42/83/1242794283.db2.gz OZQFGZBUYFBXMQ-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663612 1244074693 /nfs/dbraw/zinc/07/46/93/1244074693.db2.gz WAMWOSAXNTXDIO-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097853961 1244690398 /nfs/dbraw/zinc/69/03/98/1244690398.db2.gz RFZKSJAFBHRNLH-JEWRLFTDSA-N 2 0 337.483 2.497 20 30 EEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052704111 1244790939 /nfs/dbraw/zinc/79/09/39/1244790939.db2.gz ZSPNKBIXQVDUNC-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857103 1245395787 /nfs/dbraw/zinc/39/57/87/1245395787.db2.gz HZBWMRUEUIYLRD-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001052937224 1245513345 /nfs/dbraw/zinc/51/33/45/1245513345.db2.gz IQBHCOCNVHUENL-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040413 1245744593 /nfs/dbraw/zinc/74/45/93/1245744593.db2.gz JOYWGAUNZBJZIO-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101388179 1245751595 /nfs/dbraw/zinc/75/15/95/1245751595.db2.gz QTUXCFFPPOQBHM-FCEWJHQRSA-N 2 0 330.476 2.335 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C(C)(C)C[NH2+]CC=C)CC2)CC1 ZINC001101596007 1246004905 /nfs/dbraw/zinc/00/49/05/1246004905.db2.gz FJSDBXLQVJPFSD-UHFFFAOYSA-N 2 0 345.531 2.372 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054153024 1247541123 /nfs/dbraw/zinc/54/11/23/1247541123.db2.gz KCLMJVYLTHSKQD-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001054232988 1247797296 /nfs/dbraw/zinc/79/72/96/1247797296.db2.gz ACSAJRXIFIQZDS-PMACEKPBSA-N 2 0 331.504 2.363 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243779 1254088970 /nfs/dbraw/zinc/08/89/70/1254088970.db2.gz LGJHASJJIUDLEW-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185742061 1278768751 /nfs/dbraw/zinc/76/87/51/1278768751.db2.gz RBQGNHSPEJYEAB-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001026464880 1276815776 /nfs/dbraw/zinc/81/57/76/1276815776.db2.gz ZUZFWYQUKRZVCT-RUXDESIVSA-N 2 0 344.297 2.006 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916666 1282234149 /nfs/dbraw/zinc/23/41/49/1282234149.db2.gz BKDITQFOHWNETK-QZTJIDSGSA-N 2 0 339.524 2.088 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621868 1282602365 /nfs/dbraw/zinc/60/23/65/1282602365.db2.gz IRADQJOJPISBBK-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198941715 1285433018 /nfs/dbraw/zinc/43/30/18/1285433018.db2.gz ZKSYPWHNPNNUGN-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201811957 1289761827 /nfs/dbraw/zinc/76/18/27/1289761827.db2.gz YZBKQDRAXZNFAN-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202133352 1289927245 /nfs/dbraw/zinc/92/72/45/1289927245.db2.gz FHZPNZQXWPIEBD-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000859291964 1294378959 /nfs/dbraw/zinc/37/89/59/1294378959.db2.gz PRNDEZIYVDYANB-GOSISDBHSA-N 2 0 343.471 2.106 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346712 1295987697 /nfs/dbraw/zinc/98/76/97/1295987697.db2.gz ZOORTHKNNSAXQB-IAGOWNOFSA-N 2 0 327.513 2.114 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001216837582 1297310333 /nfs/dbraw/zinc/31/03/33/1297310333.db2.gz IDBKWAOQRKQXJP-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219311138 1297981013 /nfs/dbraw/zinc/98/10/13/1297981013.db2.gz SNZDTHRGQBGGBO-KRWDZBQOSA-N 2 0 329.520 2.181 20 30 EEEDRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001220179042 1298285861 /nfs/dbraw/zinc/28/58/61/1298285861.db2.gz DLXGOHPWBGAFAF-KRWDZBQOSA-N 2 0 349.434 2.324 20 30 EEEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220664179 1298493883 /nfs/dbraw/zinc/49/38/83/1298493883.db2.gz YLLGITZBUGYLIK-WBVHZDCISA-N 2 0 343.471 2.303 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001220868793 1298565801 /nfs/dbraw/zinc/56/58/01/1298565801.db2.gz UUQMBCWNFXVEKR-IRXDYDNUSA-N 2 0 340.471 2.194 20 30 EEEDRP C[C@]1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]1 ZINC001221182987 1298696906 /nfs/dbraw/zinc/69/69/06/1298696906.db2.gz CMFUAQSVGQKBQV-QWFCFKBJSA-N 2 0 340.471 2.299 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914126 1298754233 /nfs/dbraw/zinc/75/42/33/1298754233.db2.gz MRNDFWSFJSVNOE-JXFKEZNVSA-N 2 0 336.439 2.250 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102110978 1300329694 /nfs/dbraw/zinc/32/96/94/1300329694.db2.gz OVRRBJUPDCWLLJ-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCCC=C)CC2)CC1 ZINC001225564492 1301063855 /nfs/dbraw/zinc/06/38/55/1301063855.db2.gz VAILKYKFLCCDPJ-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226161209 1301281258 /nfs/dbraw/zinc/28/12/58/1301281258.db2.gz NQLGVIFHYAHVTQ-KURKYZTESA-N 2 0 337.508 2.079 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495862 1303035693 /nfs/dbraw/zinc/03/56/93/1303035693.db2.gz WGACXJADTOREIW-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc4ccc(C#N)cc4[nH]3)[C@@H]2C1 ZINC001277457957 1303238186 /nfs/dbraw/zinc/23/81/86/1303238186.db2.gz RSUWQIAWGNTGJF-FXAWDEMLSA-N 2 0 337.471 2.107 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2cc(O)cc(OC)c2)CC1 ZINC001232809111 1304254113 /nfs/dbraw/zinc/25/41/13/1304254113.db2.gz MCAMLDQTZOTEFQ-UHFFFAOYSA-N 2 0 345.487 2.192 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001115117148 1304703512 /nfs/dbraw/zinc/70/35/12/1304703512.db2.gz VEWQCCUNYTXAPH-YDZRNGNQSA-N 2 0 327.472 2.302 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)NCC3)CC1 ZINC001236434352 1305578635 /nfs/dbraw/zinc/57/86/35/1305578635.db2.gz QXOOQKGROZGFKB-UHFFFAOYSA-N 2 0 340.515 2.446 20 30 EEEDRP N#Cc1cc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240336191 1309307630 /nfs/dbraw/zinc/30/76/30/1309307630.db2.gz NFUCRZKESKYCNG-UHFFFAOYSA-N 2 0 329.407 2.215 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](c2cccnc2)N(C)C)CCCCC1 ZINC001120213562 1309387251 /nfs/dbraw/zinc/38/72/51/1309387251.db2.gz JZYFZPGTIGOYJO-KRWDZBQOSA-N 2 0 330.476 2.279 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2OCC)CC1 ZINC001121919426 1310173664 /nfs/dbraw/zinc/17/36/64/1310173664.db2.gz CSFKNPLHJIEVAW-QGZVFWFLSA-N 2 0 331.460 2.242 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246439531 1310312029 /nfs/dbraw/zinc/31/20/29/1310312029.db2.gz YRRCIGCYQIOJBD-SJORKVTESA-N 2 0 332.879 2.238 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203004837 1314814614 /nfs/dbraw/zinc/81/46/14/1314814614.db2.gz IKZKWULRXGRBMZ-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589811 1316308473 /nfs/dbraw/zinc/30/84/73/1316308473.db2.gz WUYZDIFEUGLJTJ-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386410 1316664379 /nfs/dbraw/zinc/66/43/79/1316664379.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252493743 1317616642 /nfs/dbraw/zinc/61/66/42/1317616642.db2.gz SOWMUSAACNHMPQ-YSTOQKLRSA-N 2 0 330.472 2.335 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611885 1317673823 /nfs/dbraw/zinc/67/38/23/1317673823.db2.gz JZIVBMJDGDSIBM-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160629997 1320217500 /nfs/dbraw/zinc/21/75/00/1320217500.db2.gz WNJDZPXZGGXMDT-SFHVURJKSA-N 3 0 340.556 2.182 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001160737924 1320254173 /nfs/dbraw/zinc/25/41/73/1320254173.db2.gz KHOPRQAEYCPDPL-INIZCTEOSA-N 2 0 336.867 2.299 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161649345 1320569892 /nfs/dbraw/zinc/56/98/92/1320569892.db2.gz DCDKPJNLKQYLNO-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161693647 1320589033 /nfs/dbraw/zinc/58/90/33/1320589033.db2.gz ACUVLGQMIRWCFX-UHFFFAOYSA-N 2 0 343.515 2.270 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224297 1321071224 /nfs/dbraw/zinc/07/12/24/1321071224.db2.gz SQIZUDVSXYZGKL-IBGZPJMESA-N 2 0 340.471 2.029 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1 ZINC001163224716 1321071329 /nfs/dbraw/zinc/07/13/29/1321071329.db2.gz XJZRXBCFJLFJOA-IBGZPJMESA-N 2 0 340.471 2.029 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001166764593 1321784184 /nfs/dbraw/zinc/78/41/84/1321784184.db2.gz GTODHCOSRFLLNJ-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205306970 1322347198 /nfs/dbraw/zinc/34/71/98/1322347198.db2.gz INYLVGXZFJQWST-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001205572881 1323200945 /nfs/dbraw/zinc/20/09/45/1323200945.db2.gz QELZMFXFPFZVBD-QXAKKESOSA-N 2 0 345.462 2.380 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205678551 1323239918 /nfs/dbraw/zinc/23/99/18/1323239918.db2.gz LZMFJABYIUQGFK-HHXXYDBFSA-N 2 0 345.462 2.238 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001205758839 1323287382 /nfs/dbraw/zinc/28/73/82/1323287382.db2.gz FIXVPWLGVZCREH-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207484580 1323991474 /nfs/dbraw/zinc/99/14/74/1323991474.db2.gz QKXGPBCCCGTDMH-GOSISDBHSA-N 2 0 332.492 2.254 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001208454713 1324507223 /nfs/dbraw/zinc/50/72/23/1324507223.db2.gz ZXJOHIZEDKEOOM-SFHVURJKSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001208542315 1324551782 /nfs/dbraw/zinc/55/17/82/1324551782.db2.gz NUJJEPSEBROOKW-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208599058 1324581595 /nfs/dbraw/zinc/58/15/95/1324581595.db2.gz DJIBCARIGJYBAK-SFHVURJKSA-N 2 0 332.492 2.254 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001339880329 1337089547 /nfs/dbraw/zinc/08/95/47/1337089547.db2.gz OFZFIXMLZWZNFX-JKSUJKDBSA-N 2 0 346.523 2.192 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001352101500 1337892465 /nfs/dbraw/zinc/89/24/65/1337892465.db2.gz DNLIJJMOGFSKTA-INIZCTEOSA-N 2 0 346.523 2.194 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001574925392 1343712581 /nfs/dbraw/zinc/71/25/81/1343712581.db2.gz PBIYAGHBEGWAMN-CVEARBPZSA-N 2 0 334.512 2.301 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702034 1370560072 /nfs/dbraw/zinc/56/00/72/1370560072.db2.gz RXKQNVREQXSSDC-PKOBYXMFSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425345 1371439609 /nfs/dbraw/zinc/43/96/09/1371439609.db2.gz JKUPJHUWZOVKGO-UXLLHSPISA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001115116453 1371527064 /nfs/dbraw/zinc/52/70/64/1371527064.db2.gz MSXNIXVZQZPOJU-YDZRNGNQSA-N 2 0 327.472 2.302 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001121915071 1371932854 /nfs/dbraw/zinc/93/28/54/1371932854.db2.gz ATEOAKYEWLFHHV-UHFFFAOYSA-N 2 0 339.483 2.402 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001369781831 1374646331 /nfs/dbraw/zinc/64/63/31/1374646331.db2.gz RTXISCJPMUZBMN-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001378381059 1379901559 /nfs/dbraw/zinc/90/15/59/1379901559.db2.gz FRTBUXDOOQWCDX-CQSZACIVSA-N 2 0 346.500 2.090 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001380179536 1381095444 /nfs/dbraw/zinc/09/54/44/1381095444.db2.gz VGNXKBBZJOWSIF-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1)[NH+](C)C ZINC001380870365 1381411716 /nfs/dbraw/zinc/41/17/16/1381411716.db2.gz SCNHTKHYANVUNL-QGZVFWFLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001394525511 1390721472 /nfs/dbraw/zinc/72/14/72/1390721472.db2.gz ZCHSYMLSZWWEGC-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CCC1 ZINC001398234085 1391956513 /nfs/dbraw/zinc/95/65/13/1391956513.db2.gz OGWIPFJMPKTBTL-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752913379 1406539869 /nfs/dbraw/zinc/53/98/69/1406539869.db2.gz JLOZLUXTEBPRJI-HNNXBMFYSA-N 2 0 335.879 2.128 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001401074048 1396907070 /nfs/dbraw/zinc/90/70/70/1396907070.db2.gz FMLZBIQOKFTLFC-UHFFFAOYSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001755069188 1407078369 /nfs/dbraw/zinc/07/83/69/1407078369.db2.gz OJZYTMLHCFWJFG-UHFFFAOYSA-N 2 0 333.501 2.417 20 30 EEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001755133168 1407141031 /nfs/dbraw/zinc/14/10/31/1407141031.db2.gz FOFUPXVVKXQKBZ-UHFFFAOYSA-N 2 0 341.499 2.398 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001426152091 1401914960 /nfs/dbraw/zinc/91/49/60/1401914960.db2.gz ZTQGANDOBKTHDM-CYBMUJFWSA-N 2 0 348.329 2.357 20 30 EEEDRP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001577710967 1403670049 /nfs/dbraw/zinc/67/00/49/1403670049.db2.gz KSSQYAMPUUIPAO-AEFFLSMTSA-N 2 0 334.508 2.368 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001732437487 1405957635 /nfs/dbraw/zinc/95/76/35/1405957635.db2.gz RGJDFDDYABTGCI-IEBWSBKVSA-N 2 0 329.488 2.061 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001755663495 1407713717 /nfs/dbraw/zinc/71/37/17/1407713717.db2.gz LFAJEIFKQPZOFG-UONOGXRCSA-N 2 0 346.313 2.206 20 30 EEEDRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001772248207 1410110317 /nfs/dbraw/zinc/11/03/17/1410110317.db2.gz UCDRIYZFRJBCHF-HNAYVOBHSA-N 2 0 342.487 2.402 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C ZINC001104314296 759355790 /nfs/dbraw/zinc/35/57/90/759355790.db2.gz OAEVJCKRUJWLGV-NMFUWQPSSA-N 2 0 336.867 2.340 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322426 759398735 /nfs/dbraw/zinc/39/87/35/759398735.db2.gz JIZLVEFRMIDHMN-BMFZPTHFSA-N 2 0 329.916 2.399 20 30 EEEDRP C[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCCC1 ZINC001167608746 760722374 /nfs/dbraw/zinc/72/23/74/760722374.db2.gz HTYVPKVSHVSFII-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC001167609759 760726574 /nfs/dbraw/zinc/72/65/74/760726574.db2.gz PTCWLZQEMSWEFN-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457521 760815191 /nfs/dbraw/zinc/81/51/91/760815191.db2.gz VFSMLHJVEAMICZ-SFHVURJKSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458508 760847144 /nfs/dbraw/zinc/84/71/44/760847144.db2.gz IHDCIHNKFWPWMJ-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461265 760926898 /nfs/dbraw/zinc/92/68/98/760926898.db2.gz ARWXNUXVGGYBAM-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461268 760926997 /nfs/dbraw/zinc/92/69/97/760926997.db2.gz ARWXNUXVGGYBAM-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087305954 761552843 /nfs/dbraw/zinc/55/28/43/761552843.db2.gz AZDWOFABIGMJRW-RLLQIKCJSA-N 2 0 345.531 2.347 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167700673 761877372 /nfs/dbraw/zinc/87/73/72/761877372.db2.gz SQBOZFOTQSWEAF-FQEVSTJZSA-N 2 0 341.499 2.363 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415858 768911376 /nfs/dbraw/zinc/91/13/76/768911376.db2.gz DLKVVNQGMKKZIM-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446349 769309054 /nfs/dbraw/zinc/30/90/54/769309054.db2.gz WGASMCDQYIKLBG-OALUTQOASA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](C)C1 ZINC000942717965 783048598 /nfs/dbraw/zinc/04/85/98/783048598.db2.gz AYQDPDYYOIAUED-RDJZCZTQSA-N 2 0 346.475 2.287 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027930052 774553271 /nfs/dbraw/zinc/55/32/71/774553271.db2.gz MAEDYMQAZBANPM-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2ncc[nH]2)C1 ZINC001089802383 775829410 /nfs/dbraw/zinc/82/94/10/775829410.db2.gz FJVWNVQSZSQRNI-VGWMRTNUSA-N 2 0 348.878 2.264 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000939507843 776739409 /nfs/dbraw/zinc/73/94/09/776739409.db2.gz UTYFSJMLXUIUJD-GUYCJALGSA-N 2 0 339.911 2.297 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000981528616 777592272 /nfs/dbraw/zinc/59/22/72/777592272.db2.gz SYEYKCCPXVZPEF-CABCVRRESA-N 2 0 346.500 2.233 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3sccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982291106 779581953 /nfs/dbraw/zinc/58/19/53/779581953.db2.gz FLJRMLKUBRSRLS-KDURUIRLSA-N 2 0 345.512 2.227 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001131834542 783333966 /nfs/dbraw/zinc/33/39/66/783333966.db2.gz BKKSZAVKDYSBHJ-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135314632 783597359 /nfs/dbraw/zinc/59/73/59/783597359.db2.gz DSSYGOKZKRTYFX-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135437415 783766787 /nfs/dbraw/zinc/76/67/87/783766787.db2.gz RZHWKYABFVKZQB-UHFFFAOYSA-N 2 0 330.476 2.276 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184917 784021494 /nfs/dbraw/zinc/02/14/94/784021494.db2.gz PWRNQBFGJVYVCS-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135742987 784351205 /nfs/dbraw/zinc/35/12/05/784351205.db2.gz CDTGJMKSAJWROP-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824719 784533373 /nfs/dbraw/zinc/53/33/73/784533373.db2.gz WNNSZYLWROBBAD-DLBZAZTESA-N 2 0 339.524 2.182 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857663 784639826 /nfs/dbraw/zinc/63/98/26/784639826.db2.gz MDMGRSHQYIDXPU-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995802909 785691468 /nfs/dbraw/zinc/69/14/68/785691468.db2.gz PNEYACHHADDRNB-HUUCEWRRSA-N 2 0 327.900 2.438 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995900818 785799649 /nfs/dbraw/zinc/79/96/49/785799649.db2.gz ZUKWLTAJFQIZJV-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996312427 786251969 /nfs/dbraw/zinc/25/19/69/786251969.db2.gz ZIDLNLVPPXOKIQ-AWEZNQCLSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996333940 786278732 /nfs/dbraw/zinc/27/87/32/786278732.db2.gz HVLYJTDJLKXWMZ-CEXWTWQISA-N 2 0 341.499 2.344 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484931 787377948 /nfs/dbraw/zinc/37/79/48/787377948.db2.gz BJBGHEAULQJBPT-SVFBPWRDSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546838 787587288 /nfs/dbraw/zinc/58/72/88/787587288.db2.gz QSVUKLHQKOKRHA-QGPMSJSTSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566651 787672163 /nfs/dbraw/zinc/67/21/63/787672163.db2.gz DFXNXZOIWZZTJL-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825374 787870930 /nfs/dbraw/zinc/87/09/30/787870930.db2.gz CELYNEGXXLVGIF-AZUAARDMSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC000997148747 789137332 /nfs/dbraw/zinc/13/73/32/789137332.db2.gz JEQREPKQYVJMNC-MKQGEQSTSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161899 789574931 /nfs/dbraw/zinc/57/49/31/789574931.db2.gz RDRPXNGXBNZWMP-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182436 789672154 /nfs/dbraw/zinc/67/21/54/789672154.db2.gz HZPLCMFMDIRFEG-SFHVURJKSA-N 2 0 327.513 2.116 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593105 791362061 /nfs/dbraw/zinc/36/20/61/791362061.db2.gz OANCNCJLFZTHQG-HUUCEWRRSA-N 2 0 348.466 2.410 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098886 792108552 /nfs/dbraw/zinc/10/85/52/792108552.db2.gz YSFCMBRMCVXYQZ-DLBZAZTESA-N 2 0 339.499 2.296 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147993659 792113215 /nfs/dbraw/zinc/11/32/15/792113215.db2.gz YTUHBTDZZWVXHF-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923016 792991176 /nfs/dbraw/zinc/99/11/76/792991176.db2.gz GGQDQPIZOCTJEQ-MJGOQNOKSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942628 793036052 /nfs/dbraw/zinc/03/60/52/793036052.db2.gz WZGNYAFUWCPBBZ-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879063 793380275 /nfs/dbraw/zinc/38/02/75/793380275.db2.gz DWIZFYGECLGHLU-HBFSDRIKSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731790 794678867 /nfs/dbraw/zinc/67/88/67/794678867.db2.gz YVPBIVMQPWRRBF-WBVHZDCISA-N 2 0 345.512 2.369 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@@H]21 ZINC001036774559 794922949 /nfs/dbraw/zinc/92/29/49/794922949.db2.gz HMPIXGFUBOJGBN-AEFFLSMTSA-N 2 0 342.487 2.261 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093383994 795127907 /nfs/dbraw/zinc/12/79/07/795127907.db2.gz RTPCWCLIOLJSJZ-MSOLQXFVSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001093542430 795353226 /nfs/dbraw/zinc/35/32/26/795353226.db2.gz ZUCQRNQSFIJCRG-UHFFFAOYSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960119 795618975 /nfs/dbraw/zinc/61/89/75/795618975.db2.gz YOKNQPCOCGRIEV-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666862 796073389 /nfs/dbraw/zinc/07/33/89/796073389.db2.gz XKOPVOGYPZMCLD-RKVPGOIHSA-N 2 0 325.472 2.069 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434044 796227153 /nfs/dbraw/zinc/22/71/53/796227153.db2.gz OPCCFELOSOHOOR-QKNQBKEWSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H]1C ZINC000993339058 796426451 /nfs/dbraw/zinc/42/64/51/796426451.db2.gz QVFGDNRAHIKZIQ-RDJZCZTQSA-N 2 0 330.476 2.307 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001080997638 796548375 /nfs/dbraw/zinc/54/83/75/796548375.db2.gz HRMNECHOTAJQSF-VQIMIIECSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001081190690 796681010 /nfs/dbraw/zinc/68/10/10/796681010.db2.gz OTCZEPSLKBMMGO-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819766 797025473 /nfs/dbraw/zinc/02/54/73/797025473.db2.gz RKKILXZFMQMHAN-DLBZAZTESA-N 2 0 349.906 2.101 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176997528 798686651 /nfs/dbraw/zinc/68/66/51/798686651.db2.gz PWRUVJXDBYVTPP-CQSZACIVSA-N 2 0 346.313 2.111 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584905 806704339 /nfs/dbraw/zinc/70/43/39/806704339.db2.gz ONQNXBUFHRGFLM-ICSRJNTNSA-N 2 0 331.504 2.104 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC001179461487 799934654 /nfs/dbraw/zinc/93/46/54/799934654.db2.gz MMBZHTQKYNBEBS-UHFFFAOYSA-N 2 0 336.505 2.338 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001180260070 800337431 /nfs/dbraw/zinc/33/74/31/800337431.db2.gz SDRDSJKVBWHJDL-IBGZPJMESA-N 2 0 342.487 2.276 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717768 801116370 /nfs/dbraw/zinc/11/63/70/801116370.db2.gz WPBYVCGQENRUIZ-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001182614723 801279393 /nfs/dbraw/zinc/27/93/93/801279393.db2.gz OHCGLOYDBCBDBQ-DYESRHJHSA-N 2 0 341.499 2.112 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472232 802162049 /nfs/dbraw/zinc/16/20/49/802162049.db2.gz FLZZCUVEBZVTBC-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086122215 802221796 /nfs/dbraw/zinc/22/17/96/802221796.db2.gz ATVAANKBMMWXMQ-CEXWTWQISA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2cncn2C)CC1 ZINC001004595418 802447731 /nfs/dbraw/zinc/44/77/31/802447731.db2.gz GYSLDCBRDQOAHP-GOSISDBHSA-N 2 0 330.476 2.242 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622744 802484112 /nfs/dbraw/zinc/48/41/12/802484112.db2.gz YXIBFTZNBHZKGM-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622740 802484601 /nfs/dbraw/zinc/48/46/01/802484601.db2.gz YXIBFTZNBHZKGM-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1CCN(C2CC2)C1 ZINC000086500775 802793117 /nfs/dbraw/zinc/79/31/17/802793117.db2.gz GYYVRBNJXAGZBA-GFCCVEGCSA-N 2 0 335.521 2.342 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108421051 803505695 /nfs/dbraw/zinc/50/56/95/803505695.db2.gz GKJKXSDBIWQVCY-HKUYNNGSSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108750231 804455182 /nfs/dbraw/zinc/45/51/82/804455182.db2.gz ZZYHCEQWXBPSFV-KKUMJFAQSA-N 2 0 325.884 2.050 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](C)CC(C)C)CC2)CC1 ZINC001113677682 809518152 /nfs/dbraw/zinc/51/81/52/809518152.db2.gz IOIXGOUBANZABX-GOSISDBHSA-N 2 0 333.520 2.158 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430150 810849030 /nfs/dbraw/zinc/84/90/30/810849030.db2.gz PGUCFQPSGRBKMB-LJQANCHMSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667167 813097480 /nfs/dbraw/zinc/09/74/80/813097480.db2.gz YPUOQDQISKRWGD-YLJYHZDGSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001437309851 1089468018 /nfs/dbraw/zinc/46/80/18/1089468018.db2.gz IKSPJVBHVXHVBE-SFHVURJKSA-N 2 0 349.906 2.352 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001440351894 1093506313 /nfs/dbraw/zinc/50/63/13/1093506313.db2.gz YEYQPMBRSYYFLB-JCNLHEQBSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001441591058 1095421879 /nfs/dbraw/zinc/42/18/79/1095421879.db2.gz VNKVKHXAMOGWFU-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001496451429 1101044218 /nfs/dbraw/zinc/04/42/18/1101044218.db2.gz WZQJOLRRKZFJPU-ZBFHGGJFSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001496905908 1101699177 /nfs/dbraw/zinc/69/91/77/1101699177.db2.gz ASLXPWJTNGSZCT-CVEARBPZSA-N 2 0 327.900 2.345 20 30 EEEDRP C=C(Br)C[NH2+][C@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001495058391 1104695268 /nfs/dbraw/zinc/69/52/68/1104695268.db2.gz OLAYIEZXFZJWDS-CYBMUJFWSA-N 2 0 348.329 2.357 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C ZINC001499852071 1112513001 /nfs/dbraw/zinc/51/30/01/1112513001.db2.gz CYCPNTULRYDKIT-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CN(CCC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC[NH+]1C ZINC001502166921 1113623984 /nfs/dbraw/zinc/62/39/84/1113623984.db2.gz KCIDUWZTTTUBLZ-SFHVURJKSA-N 2 0 346.450 2.072 20 30 EEEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442767269 242109121 /nfs/dbraw/zinc/10/91/21/242109121.db2.gz MJWMXKLUBYWLTP-AEFFLSMTSA-N 2 0 331.460 2.425 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396737 781959560 /nfs/dbraw/zinc/95/95/60/781959560.db2.gz ULBPTCLUCZETIH-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000491452879 533098994 /nfs/dbraw/zinc/09/89/94/533098994.db2.gz NXUCTROXPGWYRX-UHFFFAOYSA-N 2 0 328.338 2.477 20 30 EEEDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000581483848 324262369 /nfs/dbraw/zinc/26/23/69/324262369.db2.gz JVHBSQGWXUHECR-SFHVURJKSA-N 2 0 331.460 2.152 20 30 EEEDRP C[C@@H](Cn1ccnc1)[NH+]=C([O-])N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000329341319 465304665 /nfs/dbraw/zinc/30/46/65/465304665.db2.gz SAVVNTLROZBZFX-CGZBRXJRSA-N 2 0 333.480 2.382 20 30 EEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129112908 462690091 /nfs/dbraw/zinc/69/00/91/462690091.db2.gz KNQLAMGSIFHCDI-WMZOPIPTSA-N 2 0 326.444 2.303 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091517970 462886625 /nfs/dbraw/zinc/88/66/25/462886625.db2.gz XPPWFJAIUIPEDE-INIZCTEOSA-N 2 0 332.492 2.407 20 30 EEEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000080628083 463340071 /nfs/dbraw/zinc/34/00/71/463340071.db2.gz PELHVBQAPLLARY-IYBDPMFKSA-N 2 0 325.522 2.454 20 30 EEEDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(C#N)cs3)ccn2)CC1 ZINC000177686019 463766750 /nfs/dbraw/zinc/76/67/50/463766750.db2.gz TUXGVSBOQOQIHX-UHFFFAOYSA-N 2 0 327.457 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC(Nc2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000277385929 463913757 /nfs/dbraw/zinc/91/37/57/463913757.db2.gz IQLUPXZTGDQVDT-QGZVFWFLSA-N 2 0 345.491 2.280 20 30 EEEDRP O=C(N[C@H]1CCn2ccnc2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000330250410 465586937 /nfs/dbraw/zinc/58/69/37/465586937.db2.gz HDZOBRJMUGUIGQ-HNNXBMFYSA-N 2 0 331.464 2.062 20 30 EEEDRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353413830 465865806 /nfs/dbraw/zinc/86/58/06/465865806.db2.gz QQDSKBMXMOWCGV-PMACEKPBSA-N 2 0 326.488 2.407 20 30 EEEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338913491 466477989 /nfs/dbraw/zinc/47/79/89/466477989.db2.gz QWGXLMBVVJGIKU-FUHWJXTLSA-N 2 0 334.508 2.239 20 30 EEEDRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373976 466732329 /nfs/dbraw/zinc/73/23/29/466732329.db2.gz CAJAOBKTXPUZGR-CVEARBPZSA-N 2 0 340.393 2.435 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000417063928 466768587 /nfs/dbraw/zinc/76/85/87/466768587.db2.gz OFIVDTBEQCKVRE-FGTMMUONSA-N 2 0 336.524 2.311 20 30 EEEDRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424153246 466991395 /nfs/dbraw/zinc/99/13/95/466991395.db2.gz JVTVZUNSRIATPI-YJBOKZPZSA-N 2 0 328.460 2.349 20 30 EEEDRP C#CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377633565 467102421 /nfs/dbraw/zinc/10/24/21/467102421.db2.gz VIRXTGUDRYTXMD-FQEVSTJZSA-N 2 0 341.499 2.299 20 30 EEEDRP CC[NH+]1CCC(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425540493 467106902 /nfs/dbraw/zinc/10/69/02/467106902.db2.gz ODGLMPPELTYSQP-OAHLLOKOSA-N 2 0 328.460 2.152 20 30 EEEDRP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(OC)c1O ZINC000414774002 467435502 /nfs/dbraw/zinc/43/55/02/467435502.db2.gz FBMOCYGCVFEWIZ-QGZVFWFLSA-N 2 0 346.471 2.317 20 30 EEEDRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000528399555 467682238 /nfs/dbraw/zinc/68/22/38/467682238.db2.gz WROQSAKYXMMWDL-LMMKCTJWSA-N 2 0 349.519 2.252 20 30 EEEDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000567692263 468185201 /nfs/dbraw/zinc/18/52/01/468185201.db2.gz RJLOJWKUYGUPCL-IBGZPJMESA-N 2 0 345.487 2.346 20 30 EEEDRP C[NH+](C)CCCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000569640642 468521417 /nfs/dbraw/zinc/52/14/17/468521417.db2.gz TWYFICHLKDOUJP-UHFFFAOYSA-N 2 0 330.476 2.180 20 30 EEEDRP C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000602199915 469238340 /nfs/dbraw/zinc/23/83/40/469238340.db2.gz BNSXCBOJNWNYKG-KRWDZBQOSA-N 2 0 343.471 2.150 20 30 EEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000602530172 469351224 /nfs/dbraw/zinc/35/12/24/469351224.db2.gz DZUWCCITVJGXML-QGZVFWFLSA-N 2 0 348.535 2.234 20 30 EEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682178 470611351 /nfs/dbraw/zinc/61/13/51/470611351.db2.gz LWTVJGVEIHADDH-QGZVFWFLSA-N 2 0 330.476 2.407 20 30 EEEDRP C=CC[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]1 ZINC000662685247 472205573 /nfs/dbraw/zinc/20/55/73/472205573.db2.gz RAMQUFCAGJWKLZ-GOSISDBHSA-N 2 0 337.533 2.163 20 30 EEEDRP C=CCc1cc(CN2CCN(c3nccn3C)CC2)cc(OC)c1O ZINC000668793414 472271057 /nfs/dbraw/zinc/27/10/57/472271057.db2.gz APWDZDAQGXFRDR-UHFFFAOYSA-N 2 0 342.443 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H](C)F)CC1 ZINC001021469833 676118840 /nfs/dbraw/zinc/11/88/40/676118840.db2.gz OMCUQNMPRQKRQH-BPIHKTFHSA-N 2 0 349.494 2.191 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249893 676266362 /nfs/dbraw/zinc/26/63/62/676266362.db2.gz FNYIMBURIWYHRI-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711619 676369778 /nfs/dbraw/zinc/36/97/78/676369778.db2.gz YYRHQNIYKQQJMH-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001022534071 677830735 /nfs/dbraw/zinc/83/07/35/677830735.db2.gz KQAUDSGOUNZGQT-HDICACEKSA-N 2 0 340.471 2.169 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000176663301 678355492 /nfs/dbraw/zinc/35/54/92/678355492.db2.gz LQHHCNZVEGLFAT-KSZLIROESA-N 2 0 348.535 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC001023127729 679135724 /nfs/dbraw/zinc/13/57/24/679135724.db2.gz BGCZHTSYIZYCBS-HDICACEKSA-N 2 0 345.512 2.139 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400716 679290652 /nfs/dbraw/zinc/29/06/52/679290652.db2.gz ZDNXLVATQVRJDE-OAHLLOKOSA-N 2 0 333.501 2.275 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001024162684 679829234 /nfs/dbraw/zinc/82/92/34/679829234.db2.gz XSTGZAUOCBKDLT-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366990 679883817 /nfs/dbraw/zinc/88/38/17/679883817.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810819 681462989 /nfs/dbraw/zinc/46/29/89/681462989.db2.gz JZXVKVHQZQZROB-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246948 682316186 /nfs/dbraw/zinc/31/61/86/682316186.db2.gz HWQJXJUCLDEULF-OALUTQOASA-N 2 0 343.515 2.484 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596785 683078149 /nfs/dbraw/zinc/07/81/49/683078149.db2.gz HHZRMYMXAQEUIS-HZPDHXFCSA-N 2 0 328.460 2.001 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598252 685093080 /nfs/dbraw/zinc/09/30/80/685093080.db2.gz BEAFTZZGBREBBN-IEBWSBKVSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033534 686084569 /nfs/dbraw/zinc/08/45/69/686084569.db2.gz DNRQEQPHDSBNCM-KBXCAEBGSA-N 2 0 325.472 2.212 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622778 692857625 /nfs/dbraw/zinc/85/76/25/692857625.db2.gz SNRWPKRNCSPTLN-GOSISDBHSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001089885598 1192684893 /nfs/dbraw/zinc/68/48/93/1192684893.db2.gz IAKGZLMEPBJYEU-HAGHYFMRSA-N 2 0 345.531 2.462 20 30 EEEDRP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001752210732 1179527069 /nfs/dbraw/zinc/52/70/69/1179527069.db2.gz XYWVTSCFDWOFJZ-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037530 1192969717 /nfs/dbraw/zinc/96/97/17/1192969717.db2.gz PKVIFTHWQXIBRC-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001753819857 1182399861 /nfs/dbraw/zinc/39/98/61/1182399861.db2.gz GHIZAJKNJIQVPT-UHFFFAOYSA-N 2 0 333.520 2.445 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338818 1185436135 /nfs/dbraw/zinc/43/61/35/1185436135.db2.gz KMFIRHLNVCHQPU-AWEZNQCLSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413099 1186824257 /nfs/dbraw/zinc/82/42/57/1186824257.db2.gz YEYYRURGSDCBJU-CTNGQTDRSA-N 2 0 341.499 2.457 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001105427049 1186938018 /nfs/dbraw/zinc/93/80/18/1186938018.db2.gz BHOVFBXKENJSRP-IRFCIJBXSA-N 2 0 341.499 2.319 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107620201 1193462325 /nfs/dbraw/zinc/46/23/25/1193462325.db2.gz CGAPFIMEGIOCAC-NVXWUHKLSA-N 2 0 336.867 2.374 20 30 EEEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001105446722 1187201015 /nfs/dbraw/zinc/20/10/15/1187201015.db2.gz RNMCOSYZLLFYBO-HFSMHLIXSA-N 2 0 341.499 2.320 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105557081 1188172674 /nfs/dbraw/zinc/17/26/74/1188172674.db2.gz WVIGIDBTFSFBSN-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+]1CCCCC1 ZINC001483197686 1189083769 /nfs/dbraw/zinc/08/37/69/1189083769.db2.gz DJDRVNOWULVYIM-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273101076 1194382865 /nfs/dbraw/zinc/38/28/65/1194382865.db2.gz NFNFCBQEQRQKRT-HXUWFJFHSA-N 2 0 346.519 2.479 20 30 EEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034399318 1196189987 /nfs/dbraw/zinc/18/99/87/1196189987.db2.gz SHWXGZXWXXHBRM-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001034959652 1196921185 /nfs/dbraw/zinc/92/11/85/1196921185.db2.gz FKOUXRFUAWIJGS-RHSMWYFYSA-N 2 0 346.500 2.041 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001034973836 1196931120 /nfs/dbraw/zinc/93/11/20/1196931120.db2.gz DQRLPFQQYSYQKC-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+]1CCCCCC1 ZINC001134756964 1199806440 /nfs/dbraw/zinc/80/64/40/1199806440.db2.gz LHZMUVINBBFGRP-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCOCC1 ZINC000104173724 1204612528 /nfs/dbraw/zinc/61/25/28/1204612528.db2.gz HIBMOBQNZQNXOW-SFHVURJKSA-N 2 0 344.503 2.123 20 30 EEEDRP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](COCCOC)CC[C@@H]3C2)cc1 ZINC001275131931 1205264033 /nfs/dbraw/zinc/26/40/33/1205264033.db2.gz JWKLNIZPFBWHJT-OYRHEFFESA-N 2 0 342.483 2.432 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949389295 1209662249 /nfs/dbraw/zinc/66/22/49/1209662249.db2.gz WVEOXLMXUVFIMV-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000949529341 1209729283 /nfs/dbraw/zinc/72/92/83/1209729283.db2.gz PTMNJWJRNWELOM-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303896111 1213922640 /nfs/dbraw/zinc/92/26/40/1213922640.db2.gz UFMWUOVZGMKGDV-GOSISDBHSA-N 2 0 332.492 2.463 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001037125862 1213982557 /nfs/dbraw/zinc/98/25/57/1213982557.db2.gz OSPIGOFXARCORW-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000957422112 1215115033 /nfs/dbraw/zinc/11/50/33/1215115033.db2.gz JSEVTKHOIHRSSP-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1cccc(F)c1 ZINC000304850397 1216109034 /nfs/dbraw/zinc/10/90/34/1216109034.db2.gz QTCNSVZULITZRF-JKSUJKDBSA-N 2 0 336.455 2.372 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001412949513 1216145635 /nfs/dbraw/zinc/14/56/35/1216145635.db2.gz VGFVFQJCWYJLMI-RBUKOAKNSA-N 2 0 331.460 2.024 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224940 1217096907 /nfs/dbraw/zinc/09/69/07/1217096907.db2.gz FJLWFMNVTLWFBH-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400535 1217175612 /nfs/dbraw/zinc/17/56/12/1217175612.db2.gz HWEDYOQHIMJYQC-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381689 1217578195 /nfs/dbraw/zinc/57/81/95/1217578195.db2.gz BQDSZPIRLDEBNF-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CC=C)C2)CC1 ZINC000963429779 1217623671 /nfs/dbraw/zinc/62/36/71/1217623671.db2.gz RKRIKWLYWXNYBX-PMACEKPBSA-N 2 0 343.515 2.221 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000964185849 1218256449 /nfs/dbraw/zinc/25/64/49/1218256449.db2.gz OWSFLPMOOWZHFE-QQFBHYJXSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681238 1221487077 /nfs/dbraw/zinc/48/70/77/1221487077.db2.gz HXKZIJQRJAFKEW-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968967452 1221705710 /nfs/dbraw/zinc/70/57/10/1221705710.db2.gz PQLRSOGINXTQOF-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001019560516 1229185636 /nfs/dbraw/zinc/18/56/36/1229185636.db2.gz JYZXNWRTMWFDBV-HNNXBMFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038369998 1229773772 /nfs/dbraw/zinc/77/37/72/1229773772.db2.gz ZXDNCGOKJUZFER-MOPGFXCFSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234081 1230467301 /nfs/dbraw/zinc/46/73/01/1230467301.db2.gz IBZWWYQAOKHVEM-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201258 1231098063 /nfs/dbraw/zinc/09/80/63/1231098063.db2.gz LSDYZCPEOFQCRO-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040242695 1231127552 /nfs/dbraw/zinc/12/75/52/1231127552.db2.gz ZSIFGGNUFUGJPN-TZIWHRDSSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430357 1231227702 /nfs/dbraw/zinc/22/77/02/1231227702.db2.gz BGJWPJUJQBQSRY-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001040703392 1231341646 /nfs/dbraw/zinc/34/16/46/1231341646.db2.gz DJGIEYGGGJLSCY-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](C(C)C)CC3)CC1 ZINC001040948734 1231408350 /nfs/dbraw/zinc/40/83/50/1231408350.db2.gz YDVJJCAGGKBGEM-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396476 1231530338 /nfs/dbraw/zinc/53/03/38/1231530338.db2.gz SZSKYJOSKJPYSP-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724352 1231662447 /nfs/dbraw/zinc/66/24/47/1231662447.db2.gz VLRLWSSGJAMNOZ-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@@H](F)CC)C3)C2)CC1 ZINC001041844977 1231728308 /nfs/dbraw/zinc/72/83/08/1231728308.db2.gz QRURZLCTNUOKFU-ICSRJNTNSA-N 2 0 349.494 2.004 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044768077 1233250373 /nfs/dbraw/zinc/25/03/73/1233250373.db2.gz TYHIFAGWPXGCEG-GOEBONIOSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)CC1 ZINC001045896160 1234128414 /nfs/dbraw/zinc/12/84/14/1234128414.db2.gz WOEDQLFYUZITRG-UXHICEINSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986674 1234282732 /nfs/dbraw/zinc/28/27/32/1234282732.db2.gz XZKQNZOSVNWMRT-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046925938 1235314601 /nfs/dbraw/zinc/31/46/01/1235314601.db2.gz PPPZLDWGJDDYRW-CABCVRRESA-N 2 0 329.435 2.120 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047230937 1235707224 /nfs/dbraw/zinc/70/72/24/1235707224.db2.gz ITCSUOQKOQQHPS-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255387 1235758487 /nfs/dbraw/zinc/75/84/87/1235758487.db2.gz YELUXWNRWPRUDY-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001000108086 1239953222 /nfs/dbraw/zinc/95/32/22/1239953222.db2.gz YMXLMSGWJJPMLJ-RHSMWYFYSA-N 2 0 348.516 2.287 20 30 EEEDRP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563635 1241432050 /nfs/dbraw/zinc/43/20/50/1241432050.db2.gz GGNYUXOAKDLDAG-ROUUACIJSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141640 1242968444 /nfs/dbraw/zinc/96/84/44/1242968444.db2.gz VICROBLVXOLEDP-SQGPQFPESA-N 2 0 349.494 2.145 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001050724062 1244218758 /nfs/dbraw/zinc/21/87/58/1244218758.db2.gz ACXAAWYVHFRBSB-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286326 1245612808 /nfs/dbraw/zinc/61/28/08/1245612808.db2.gz SNDCJCHIKYHXMO-XLIONFOSSA-N 2 0 342.487 2.264 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC001053106960 1245924362 /nfs/dbraw/zinc/92/43/62/1245924362.db2.gz XYPJDRDVOPMNOD-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108017 1245928747 /nfs/dbraw/zinc/92/87/47/1245928747.db2.gz ONGSTWWIVMUKEX-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054061147 1247274851 /nfs/dbraw/zinc/27/48/51/1247274851.db2.gz VOFFBDOEWHKUCK-RBUKOAKNSA-N 2 0 327.472 2.057 20 30 EEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142518 1247510134 /nfs/dbraw/zinc/51/01/34/1247510134.db2.gz FBHBHXKDYKYJNA-UYAOXDASSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158050 1247559346 /nfs/dbraw/zinc/55/93/46/1247559346.db2.gz DFUBSZOTTVUIHN-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182886 1247639581 /nfs/dbraw/zinc/63/95/81/1247639581.db2.gz TUAXFHCBPXHPHL-TZIWHRDSSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O2 ZINC001071198754 1254044028 /nfs/dbraw/zinc/04/40/28/1254044028.db2.gz DLBRADNUUMBKAN-PXNSSMCTSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001185468189 1278653821 /nfs/dbraw/zinc/65/38/21/1278653821.db2.gz AKQBCALSNYZQPN-LPHOPBHVSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673599 1279983050 /nfs/dbraw/zinc/98/30/50/1279983050.db2.gz PRYWJDUIAWWIDV-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176745 1286907073 /nfs/dbraw/zinc/90/70/73/1286907073.db2.gz ZXHBCTBQIZKZRI-YLJYHZDGSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201378487 1289541427 /nfs/dbraw/zinc/54/14/27/1289541427.db2.gz MEOUJBZXHJLFJY-UHFFFAOYSA-N 2 0 330.476 2.455 20 30 EEEDRP C[NH+]1CCN(c2cc(-n3cc(C#N)c4cc(N)ccc43)cc[nH+]2)CC1 ZINC001201668650 1289706291 /nfs/dbraw/zinc/70/62/91/1289706291.db2.gz ZCMCCZCMVURABX-UHFFFAOYSA-N 2 0 332.411 2.231 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001211233790 1295771688 /nfs/dbraw/zinc/77/16/88/1295771688.db2.gz OXRSJQRFDUYCNU-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC001217831038 1297518742 /nfs/dbraw/zinc/51/87/42/1297518742.db2.gz IRBXIEDEEHUZDF-NLWGTHIKSA-N 2 0 343.471 2.184 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001276775259 1297592283 /nfs/dbraw/zinc/59/22/83/1297592283.db2.gz GIZLTJPYZAUBDK-UHFFFAOYSA-N 2 0 342.487 2.048 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001099548721 1299209734 /nfs/dbraw/zinc/20/97/34/1299209734.db2.gz ZOLGIRXGQWLOGM-MANSERQUSA-N 2 0 343.515 2.217 20 30 EEEDRP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(C#N)cc3C)C[C@@H]1C[NH2+]CCC2 ZINC001222136701 1299379550 /nfs/dbraw/zinc/37/95/50/1299379550.db2.gz YHFNRMBNSVDQAM-ICSRJNTNSA-N 2 0 341.455 2.231 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143276 1300912471 /nfs/dbraw/zinc/91/24/71/1300912471.db2.gz WIJOHUMQNVOMJI-OAQYLSRUSA-N 2 0 341.499 2.315 20 30 EEEDRP CCCCCCC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514099 1301168682 /nfs/dbraw/zinc/16/86/82/1301168682.db2.gz MRGBPKTVJKMXMM-QZTJIDSGSA-N 2 0 341.540 2.219 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCCC)C[C@H]2C)CC1 ZINC001102596413 1301270707 /nfs/dbraw/zinc/27/07/07/1301270707.db2.gz DSGYTTDZBYCZLF-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559663 1302316015 /nfs/dbraw/zinc/31/60/15/1302316015.db2.gz WTVOYAFDDZFXAK-KZNAEPCWSA-N 2 0 339.524 2.326 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001228668749 1302368857 /nfs/dbraw/zinc/36/88/57/1302368857.db2.gz FNKUUNVGUCEJLJ-KZNAEPCWSA-N 2 0 337.508 2.080 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230898699 1303531983 /nfs/dbraw/zinc/53/19/83/1303531983.db2.gz MDKYCCGTFRGVFH-GOSISDBHSA-N 2 0 344.503 2.308 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196357 1303638049 /nfs/dbraw/zinc/63/80/49/1303638049.db2.gz SWZLPVKABPAHRY-GUDVDZBRSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001233278628 1304414751 /nfs/dbraw/zinc/41/47/51/1304414751.db2.gz ZFZKYLIHSLPHOE-UHFFFAOYSA-N 2 0 341.499 2.413 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448726 1309546899 /nfs/dbraw/zinc/54/68/99/1309546899.db2.gz FDCSSAYJHLCZIM-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000830343318 1314534252 /nfs/dbraw/zinc/53/42/52/1314534252.db2.gz SLAJYYFOPFLLDD-PXNSSMCTSA-N 2 0 339.483 2.111 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022467 1316129120 /nfs/dbraw/zinc/12/91/20/1316129120.db2.gz NUFXLGBQFRIIQK-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022469 1316129439 /nfs/dbraw/zinc/12/94/39/1316129439.db2.gz NUFXLGBQFRIIQK-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001150022795 1316130589 /nfs/dbraw/zinc/13/05/89/1316130589.db2.gz PJRJIJCJRHYHJI-SFHVURJKSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192923 1316199062 /nfs/dbraw/zinc/19/90/62/1316199062.db2.gz KLCIVGDCZGMJBA-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854456 1316900689 /nfs/dbraw/zinc/90/06/89/1316900689.db2.gz COBVRLWFIFEHAB-MRXNPFEDSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001153998323 1316933205 /nfs/dbraw/zinc/93/32/05/1316933205.db2.gz OWGJWVFTPLBCGO-CRAIPNDOSA-N 2 0 330.476 2.225 20 30 EEEDRP C=C1C[NH2+][C@](C)(c2nc(-c3cccc(N4CC[NH+](C)CC4)c3)no2)C1 ZINC001249232154 1317029586 /nfs/dbraw/zinc/02/95/86/1317029586.db2.gz YCVJKTIAHOXWAZ-IBGZPJMESA-N 2 0 339.443 2.253 20 30 EEEDRP [NH2+]=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC001252945047 1317734905 /nfs/dbraw/zinc/73/49/05/1317734905.db2.gz WJHQLLWWTRNSES-SFHVURJKSA-N 2 0 344.846 2.077 20 30 EEEDRP C#CCOCCOCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392125 1318385432 /nfs/dbraw/zinc/38/54/32/1318385432.db2.gz YCJKSTMURMJONJ-HXUWFJFHSA-N 2 0 330.472 2.297 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)Cc2ccncc2)CC1 ZINC001256753189 1318850380 /nfs/dbraw/zinc/85/03/80/1318850380.db2.gz HLIYOMLCYDGFOX-IBGZPJMESA-N 2 0 328.504 2.304 20 30 EEEDRP N#Cc1ccc(OCCNc2cccc(N3CCC([NH3+])CC3)[nH+]2)cc1 ZINC001160283628 1320122211 /nfs/dbraw/zinc/12/22/11/1320122211.db2.gz YACSJVCVOZSTSL-UHFFFAOYSA-N 2 0 337.427 2.372 20 30 EEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699246 1320592225 /nfs/dbraw/zinc/59/22/25/1320592225.db2.gz PNOIJRLKEZCYCE-KRWDZBQOSA-N 2 0 337.508 2.058 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCC=C)CC2)CC1 ZINC001161946787 1320688025 /nfs/dbraw/zinc/68/80/25/1320688025.db2.gz DLPPNJCNYIGEGT-UHFFFAOYSA-N 2 0 329.488 2.046 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)(COC)CC1 ZINC001162569760 1320900948 /nfs/dbraw/zinc/90/09/48/1320900948.db2.gz WNDMSMHKGLOYMN-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001162928333 1320990133 /nfs/dbraw/zinc/99/01/33/1320990133.db2.gz GOJMMUMJILCJDY-IBGZPJMESA-N 2 0 341.499 2.012 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001163001429 1321009844 /nfs/dbraw/zinc/00/98/44/1321009844.db2.gz CAAYDLNEORQDGD-IBGZPJMESA-N 2 0 329.488 2.175 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426452 1321878739 /nfs/dbraw/zinc/87/87/39/1321878739.db2.gz KRQFLPNEBJGMPP-RBUKOAKNSA-N 2 0 341.499 2.364 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(=C)C)C23CCC3)CC1 ZINC001203773316 1321958386 /nfs/dbraw/zinc/95/83/86/1321958386.db2.gz VIVGLYNNMJHCSX-MOPGFXCFSA-N 2 0 343.515 2.315 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC001276436379 1322021518 /nfs/dbraw/zinc/02/15/18/1322021518.db2.gz NSXAQCBSIWZMBJ-FUHWJXTLSA-N 2 0 332.879 2.279 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCC(C)C)CC2)CC1 ZINC001206951307 1323737681 /nfs/dbraw/zinc/73/76/81/1323737681.db2.gz JUASJYHGNDFTQJ-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207391980 1323955243 /nfs/dbraw/zinc/95/52/43/1323955243.db2.gz SEPFARJGECKZGT-LJQANCHMSA-N 2 0 335.492 2.439 20 30 EEEDRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208620 1342712338 /nfs/dbraw/zinc/71/23/38/1342712338.db2.gz RTBDSKFICGDKNX-YJBOKZPZSA-N 2 0 347.890 2.270 20 30 EEEDRP CC(C)(C[NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001575310981 1343773090 /nfs/dbraw/zinc/77/30/90/1343773090.db2.gz QHICDVGEHXMGPY-SFHVURJKSA-N 2 0 340.471 2.360 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103751598 1371060323 /nfs/dbraw/zinc/06/03/23/1371060323.db2.gz IDEWSZSOEAYUCT-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121348513 1371871216 /nfs/dbraw/zinc/87/12/16/1371871216.db2.gz YETNQCIVCKWKSY-QAELIBMJSA-N 2 0 331.504 2.147 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001375893355 1378115798 /nfs/dbraw/zinc/11/57/98/1378115798.db2.gz ODZLKLVHLQJDSU-QGZVFWFLSA-N 2 0 327.900 2.299 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001380958708 1381465732 /nfs/dbraw/zinc/46/57/32/1381465732.db2.gz RHDXXFBAWQGHKI-IBGZPJMESA-N 2 0 344.503 2.425 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001392344667 1389997589 /nfs/dbraw/zinc/99/75/89/1389997589.db2.gz NUBCPPMOAPBWNC-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001393607126 1390491568 /nfs/dbraw/zinc/49/15/68/1390491568.db2.gz RUYNJHBWEUPJJN-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001753232447 1406722662 /nfs/dbraw/zinc/72/26/62/1406722662.db2.gz VMKGRQZPDKITJE-MRXNPFEDSA-N 2 0 347.890 2.081 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]21 ZINC001753874984 1406776942 /nfs/dbraw/zinc/77/69/42/1406776942.db2.gz CXOAYORWHKXADS-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001754004834 1406797019 /nfs/dbraw/zinc/79/70/19/1406797019.db2.gz JZJUHIYTNVICOA-MRXNPFEDSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001402070207 1397746312 /nfs/dbraw/zinc/74/63/12/1397746312.db2.gz JIRBITOVVMAJBF-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001402790446 1398200084 /nfs/dbraw/zinc/20/00/84/1398200084.db2.gz MOOSFMDAMOFJNN-YJBOKZPZSA-N 2 0 349.906 2.350 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001754657005 1406939611 /nfs/dbraw/zinc/93/96/11/1406939611.db2.gz XUOINXFPVGSXAE-OALUTQOASA-N 2 0 333.520 2.395 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204826 1407217418 /nfs/dbraw/zinc/21/74/18/1407217418.db2.gz NOVAZYWDXIGUKE-QZTJIDSGSA-N 2 0 333.520 2.465 20 30 EEEDRP C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001755248812 1407259380 /nfs/dbraw/zinc/25/93/80/1407259380.db2.gz KCPITQWZVOCLRN-CVEARBPZSA-N 2 0 333.451 2.002 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001755482238 1407517408 /nfs/dbraw/zinc/51/74/08/1407517408.db2.gz NWZWPVUOIQEJAX-UAPYVXQJSA-N 2 0 345.462 2.003 20 30 EEEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001100681765 1410695980 /nfs/dbraw/zinc/69/59/80/1410695980.db2.gz RVWLSVAIBJOVDR-UHFFFAOYSA-N 2 0 329.488 2.221 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730142 1411044013 /nfs/dbraw/zinc/04/40/13/1411044013.db2.gz DDHNBQPZZDEOPD-DZGCQCFKSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839821 782350415 /nfs/dbraw/zinc/35/04/15/782350415.db2.gz VMZLKXATHPRZAH-RBUKOAKNSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458509 760846526 /nfs/dbraw/zinc/84/65/26/760846526.db2.gz IHDCIHNKFWPWMJ-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087310598 761582815 /nfs/dbraw/zinc/58/28/15/761582815.db2.gz ZQNAWRUSBVXFOG-MISYRCLQSA-N 2 0 345.531 2.347 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001104796834 765303197 /nfs/dbraw/zinc/30/31/97/765303197.db2.gz YQFUYAYROCHYPZ-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001104796009 765304041 /nfs/dbraw/zinc/30/40/41/765304041.db2.gz DKSUQBKJJSOWFB-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104803965 765313285 /nfs/dbraw/zinc/31/32/85/765313285.db2.gz CQMRLWZFHXRFDU-QRVBRYPASA-N 2 0 335.536 2.450 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115560206 769939177 /nfs/dbraw/zinc/93/91/77/769939177.db2.gz XUXNKPPKZZQRCT-MRXNPFEDSA-N 2 0 325.472 2.098 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053132 782824963 /nfs/dbraw/zinc/82/49/63/782824963.db2.gz VSIIDLQQNDUOAI-CEXWTWQISA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001105413441 783029629 /nfs/dbraw/zinc/02/96/29/783029629.db2.gz RZPAHZCJQVIFSA-CMKODMSKSA-N 2 0 327.472 2.073 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979997903 773686099 /nfs/dbraw/zinc/68/60/99/773686099.db2.gz GACOWJLIFJPAGM-OTWHNJEPSA-N 2 0 343.515 2.102 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980147503 773949175 /nfs/dbraw/zinc/94/91/75/773949175.db2.gz NSYRHSBGYMSUTA-KSZLIROESA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981220263 776833940 /nfs/dbraw/zinc/83/39/40/776833940.db2.gz AWHOBTGGMVPGGW-CVEARBPZSA-N 2 0 339.443 2.474 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001089833473 777338581 /nfs/dbraw/zinc/33/85/81/777338581.db2.gz KPIJRQJGIVDRHT-WNHJNPCNSA-N 2 0 336.439 2.303 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414107 777343549 /nfs/dbraw/zinc/34/35/49/777343549.db2.gz HZMIXKMIAXSFMZ-CVEARBPZSA-N 2 0 327.900 2.488 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000981528619 777592221 /nfs/dbraw/zinc/59/22/21/777592221.db2.gz SYEYKCCPXVZPEF-HUUCEWRRSA-N 2 0 346.500 2.233 20 30 EEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981808133 778251556 /nfs/dbraw/zinc/25/15/56/778251556.db2.gz IFLJIZPFODBETC-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281080 779517037 /nfs/dbraw/zinc/51/70/37/779517037.db2.gz MNGAPNGRQFHTAV-OYRHEFFESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343542 780837307 /nfs/dbraw/zinc/83/73/07/780837307.db2.gz PHRDRVNAEYOVQM-INIZCTEOSA-N 2 0 331.460 2.339 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135315506 783598660 /nfs/dbraw/zinc/59/86/60/783598660.db2.gz PBAHXXHGFZTMCY-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471202 783825333 /nfs/dbraw/zinc/82/53/33/783825333.db2.gz INTCYBYTIXULGL-IAGOWNOFSA-N 2 0 329.488 2.301 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135690099 784250044 /nfs/dbraw/zinc/25/00/44/784250044.db2.gz FDNDGWLTKKBVQZ-ZWKOTPCHSA-N 2 0 339.524 2.021 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975765 784925199 /nfs/dbraw/zinc/92/51/99/784925199.db2.gz BZJINHLRYCIDRP-SJORKVTESA-N 2 0 347.478 2.392 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810429 785208695 /nfs/dbraw/zinc/20/86/95/785208695.db2.gz LFHVAZUBAHVZBU-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996313885 786252895 /nfs/dbraw/zinc/25/28/95/786252895.db2.gz GILPJHODIPLNEK-QWHCGFSZSA-N 2 0 346.313 2.062 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485206 787381047 /nfs/dbraw/zinc/38/10/47/787381047.db2.gz OYJNQNCAAYQYSG-SFHLNBCPSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946856156 788794986 /nfs/dbraw/zinc/79/49/86/788794986.db2.gz CNMGBRRDRPGZSG-ZCNNSNEGSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114471 790133014 /nfs/dbraw/zinc/13/30/14/790133014.db2.gz RWYJLXXRLYEPGD-RBSFLKMASA-N 2 0 347.425 2.272 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923207 792992444 /nfs/dbraw/zinc/99/24/44/792992444.db2.gz LXGILIPRPGTVOD-IEBWSBKVSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926063 793000986 /nfs/dbraw/zinc/00/09/86/793000986.db2.gz OEBCPOBHFDJYIV-RTBURBONSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086938323 793023164 /nfs/dbraw/zinc/02/31/64/793023164.db2.gz NKUJFQFVAYQDDK-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941006 793029468 /nfs/dbraw/zinc/02/94/68/793029468.db2.gz GZKHLEIPDYGQQR-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101720 793562039 /nfs/dbraw/zinc/56/20/39/793562039.db2.gz MYHSBKHGUHDNGQ-CTNGQTDRSA-N 2 0 339.483 2.165 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998980318 793630022 /nfs/dbraw/zinc/63/00/22/793630022.db2.gz LHFCCUKLQZKINN-UHFFFAOYSA-N 2 0 325.884 2.194 20 30 EEEDRP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000089061766 793882529 /nfs/dbraw/zinc/88/25/29/793882529.db2.gz VZLJHDIZKMTFHM-OAHLLOKOSA-N 2 0 335.521 2.396 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092657958 794204530 /nfs/dbraw/zinc/20/45/30/794204530.db2.gz AAMNSYBUYDHNSP-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079149782 794379674 /nfs/dbraw/zinc/37/96/74/794379674.db2.gz LDBINFZFPHHBCQ-IPMKNSEASA-N 2 0 345.462 2.380 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000999493361 794597104 /nfs/dbraw/zinc/59/71/04/794597104.db2.gz DXSIIYXFQAYQJW-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374035 795108265 /nfs/dbraw/zinc/10/82/65/795108265.db2.gz XTLVCPRAPIIJSW-RTBURBONSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001093574832 795385095 /nfs/dbraw/zinc/38/50/95/795385095.db2.gz CDHYFIGKCGKANW-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001000208584 795533182 /nfs/dbraw/zinc/53/31/82/795533182.db2.gz MKPZMQQXDFNARY-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)[NH+](C)C ZINC001093859596 795742502 /nfs/dbraw/zinc/74/25/02/795742502.db2.gz WHUFHNFLBYTMDT-CKEIUWERSA-N 2 0 348.516 2.144 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001108028284 795869807 /nfs/dbraw/zinc/86/98/07/795869807.db2.gz CZTHDHBLECSRSK-LJQANCHMSA-N 2 0 342.443 2.350 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470587 796299683 /nfs/dbraw/zinc/29/96/83/796299683.db2.gz LHVPRTZVFVELRU-UYAOXDASSA-N 2 0 336.439 2.332 20 30 EEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171771696 796728177 /nfs/dbraw/zinc/72/81/77/796728177.db2.gz HGLZWFQIMRXGKW-OAHLLOKOSA-N 2 0 327.432 2.332 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001475389 796941177 /nfs/dbraw/zinc/94/11/77/796941177.db2.gz CWKAFWXBJLZIDN-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172965151 797172743 /nfs/dbraw/zinc/17/27/43/797172743.db2.gz BLOCOADKWXXDRN-HOTGVXAUSA-N 2 0 336.480 2.209 20 30 EEEDRP C[N@@H+]1CC[C@]2(CCN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992054 797201710 /nfs/dbraw/zinc/20/17/10/797201710.db2.gz PWETXBIVTGMTBJ-GJYPPUQNSA-N 2 0 348.491 2.306 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860116 797430658 /nfs/dbraw/zinc/43/06/58/797430658.db2.gz JWCQFQMUNUQHJW-QRVBRYPASA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001082575142 797596211 /nfs/dbraw/zinc/59/62/11/797596211.db2.gz NJTUWQALOGJTJP-LZQZEXGQSA-N 2 0 342.487 2.081 20 30 EEEDRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082595833 797605252 /nfs/dbraw/zinc/60/52/52/797605252.db2.gz GWWRKVBUMUZJDP-XYPHTWIQSA-N 2 0 346.500 2.041 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001175048305 797976733 /nfs/dbraw/zinc/97/67/33/797976733.db2.gz GFBNFNUVSPGFGS-MRXNPFEDSA-N 2 0 330.476 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)[C@H]2C)CC1 ZINC000994471072 798050540 /nfs/dbraw/zinc/05/05/40/798050540.db2.gz AKNDASOJFVAUCR-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401546 798383746 /nfs/dbraw/zinc/38/37/46/798383746.db2.gz VFIODIKJKDABIX-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001112585858 806695601 /nfs/dbraw/zinc/69/56/01/806695601.db2.gz VUJXSFSLBDEWGZ-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001177339499 798872901 /nfs/dbraw/zinc/87/29/01/798872901.db2.gz IQJRBYSGRKCKJF-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177416285 798934139 /nfs/dbraw/zinc/93/41/39/798934139.db2.gz ZHNFRIUJJSPAMZ-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212509502 799528680 /nfs/dbraw/zinc/52/86/80/799528680.db2.gz DFFNVRREUIARAO-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461489 799934967 /nfs/dbraw/zinc/93/49/67/799934967.db2.gz MNHAFMBINOLNGM-UHFFFAOYSA-N 2 0 334.302 2.113 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179764236 800095791 /nfs/dbraw/zinc/09/57/91/800095791.db2.gz VNSHUELFFWNMFH-LPHOPBHVSA-N 2 0 345.462 2.098 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001180278426 800354615 /nfs/dbraw/zinc/35/46/15/800354615.db2.gz DSPWOFATECXCCR-GOSISDBHSA-N 2 0 339.524 2.187 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004460851 802131766 /nfs/dbraw/zinc/13/17/66/802131766.db2.gz XIZZISVKSBKRMA-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184724416 802160516 /nfs/dbraw/zinc/16/05/16/802160516.db2.gz MTKJCMAJQQTITO-GOEBONIOSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608318 802475435 /nfs/dbraw/zinc/47/54/35/802475435.db2.gz YPMOBVKOAJJMHA-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729205 802916366 /nfs/dbraw/zinc/91/63/66/802916366.db2.gz XVNPABMVKUBTHE-OTWHNJEPSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001108715807 804385349 /nfs/dbraw/zinc/38/53/49/804385349.db2.gz ASBQJXKPGHXLOV-LNLFQRSKSA-N 2 0 342.487 2.453 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001108780509 804502325 /nfs/dbraw/zinc/50/23/25/804502325.db2.gz DSIQZRGASRCDEX-FHWLQOOXSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108830470 804554128 /nfs/dbraw/zinc/55/41/28/804554128.db2.gz NMPHWRBCXFTOAG-UHOSZYNNSA-N 2 0 339.483 2.354 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001086609344 810020097 /nfs/dbraw/zinc/02/00/97/810020097.db2.gz BKUHEDQMKRMWEB-RBUKOAKNSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086624054 810936251 /nfs/dbraw/zinc/93/62/51/810936251.db2.gz LGYSZEREVHSODR-GBESFXJTSA-N 2 0 327.472 2.098 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001437054016 1088949562 /nfs/dbraw/zinc/94/95/62/1088949562.db2.gz ZTMZHUVRPKJUMH-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114824 1093176479 /nfs/dbraw/zinc/17/64/79/1093176479.db2.gz FMUZOXHSQBLVKK-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001444863989 1099859400 /nfs/dbraw/zinc/85/94/00/1099859400.db2.gz FBGOTJOHZFDMKF-SFHVURJKSA-N 2 0 342.487 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713172 1106940874 /nfs/dbraw/zinc/94/08/74/1106940874.db2.gz ZJBLMCQYWFJHET-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001507328502 1115195063 /nfs/dbraw/zinc/19/50/63/1115195063.db2.gz PHHHMHAJKTVHTA-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001521464665 1119251841 /nfs/dbraw/zinc/25/18/41/1119251841.db2.gz VLMSKNKRJGIKFO-LJQANCHMSA-N 2 0 344.503 2.231 20 30 EEEDRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)CC[NH2+]CC1 ZINC000423021950 240331725 /nfs/dbraw/zinc/33/17/25/240331725.db2.gz DBSWVQVUJMKPEQ-HNNXBMFYSA-N 2 0 341.455 2.458 20 30 EEEDRP C=CC[N@@H+](CCc1cncn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000459339425 245085184 /nfs/dbraw/zinc/08/51/84/245085184.db2.gz DAJLWOYFWGGUQC-HNNXBMFYSA-N 2 0 337.431 2.188 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2c[nH+]ccc2NC(CC)CC)CC1 ZINC000491495702 533148659 /nfs/dbraw/zinc/14/86/59/533148659.db2.gz LFTFGAVYRQOVTI-UHFFFAOYSA-N 2 0 328.460 2.388 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000530233247 268297348 /nfs/dbraw/zinc/29/73/48/268297348.db2.gz VXFAONQHXVKKTN-IBGZPJMESA-N 2 0 343.471 2.295 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120882757 463050273 /nfs/dbraw/zinc/05/02/73/463050273.db2.gz CYTKTSMDARBKJR-ZWKOTPCHSA-N 2 0 329.488 2.233 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000139058131 463317736 /nfs/dbraw/zinc/31/77/36/463317736.db2.gz NFXPBTNREBLDSS-FUHWJXTLSA-N 2 0 334.508 2.153 20 30 EEEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150834629 463436600 /nfs/dbraw/zinc/43/66/00/463436600.db2.gz XJOXBUAPWMEIOS-MRXNPFEDSA-N 2 0 326.444 2.305 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017408 463773255 /nfs/dbraw/zinc/77/32/55/463773255.db2.gz RUVBKJHDHWCMCO-QGZVFWFLSA-N 2 0 327.472 2.146 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+](C)C(C)C ZINC000264084359 464280985 /nfs/dbraw/zinc/28/09/85/464280985.db2.gz JGQHAYOLAJDVPE-LJQANCHMSA-N 3 0 345.535 2.415 20 30 EEEDRP C=C[C@@](C)(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276083679 464803208 /nfs/dbraw/zinc/80/32/08/464803208.db2.gz GWUCGEPMVHOGQA-IBGZPJMESA-N 2 0 330.476 2.312 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccccc12 ZINC000267477538 464934302 /nfs/dbraw/zinc/93/43/02/464934302.db2.gz ZQFPREMQGQPORI-MRXNPFEDSA-N 2 0 327.476 2.489 20 30 EEEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424139068 466988705 /nfs/dbraw/zinc/98/87/05/466988705.db2.gz DVTPOTNFMROXJC-NUJGCVRESA-N 2 0 342.487 2.280 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424181655 466998520 /nfs/dbraw/zinc/99/85/20/466998520.db2.gz ROFNHILNEYBHSX-SJLPKXTDSA-N 2 0 328.460 2.131 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1c(F)cccc1Cl ZINC000073772774 518569448 /nfs/dbraw/zinc/56/94/48/518569448.db2.gz CHUHAAVGEWFYLN-GFCCVEGCSA-N 2 0 326.847 2.438 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000171719908 526434273 /nfs/dbraw/zinc/43/42/73/526434273.db2.gz XBINSMDEGSMWBE-SFHVURJKSA-N 2 0 348.466 2.378 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000949379087 676177133 /nfs/dbraw/zinc/17/71/33/676177133.db2.gz MUCUUDCTTNDNMQ-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888869 679672539 /nfs/dbraw/zinc/67/25/39/679672539.db2.gz FBRKBHIQSXPHAG-YOEHRIQHSA-N 2 0 346.500 2.042 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001022370344 676853859 /nfs/dbraw/zinc/85/38/59/676853859.db2.gz GGBDBHBNJFKECY-HDICACEKSA-N 2 0 345.406 2.257 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)cc1 ZINC000104168455 678006021 /nfs/dbraw/zinc/00/60/21/678006021.db2.gz BBTNQWVWRRTVAX-UHFFFAOYSA-N 2 0 334.464 2.047 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000972267148 678470798 /nfs/dbraw/zinc/47/07/98/678470798.db2.gz SMCUTHZSEVARAK-RTBURBONSA-N 2 0 342.487 2.177 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1 ZINC001022885883 678719427 /nfs/dbraw/zinc/71/94/27/678719427.db2.gz UYTILVMEHVPZQV-KDURUIRLSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001024039512 679772700 /nfs/dbraw/zinc/77/27/00/679772700.db2.gz XSTGZAUOCBKDLT-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921828 685308051 /nfs/dbraw/zinc/30/80/51/685308051.db2.gz YAAKKASVQBXZOP-RHSMWYFYSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024648887 681319692 /nfs/dbraw/zinc/31/96/92/681319692.db2.gz NDXYURAWOSXPNZ-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261822281 681583693 /nfs/dbraw/zinc/58/36/93/681583693.db2.gz UPTFTYWTRSDGPM-SUMWQHHRSA-N 2 0 340.475 2.019 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641477 681937997 /nfs/dbraw/zinc/93/79/97/681937997.db2.gz NDVUFBCESKFEBF-KVPLUYHFSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239745 682295371 /nfs/dbraw/zinc/29/53/71/682295371.db2.gz ITMQFKGBMDHEEH-ZWKOTPCHSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514422 682941061 /nfs/dbraw/zinc/94/10/61/682941061.db2.gz BIOSLGMNGTWVKR-JKSUJKDBSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3nccn3C)C[C@H]21 ZINC000992752092 683383479 /nfs/dbraw/zinc/38/34/79/683383479.db2.gz GZFIWMPCNSZXGV-GVDBMIGSSA-N 2 0 330.476 2.146 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185865993 684497611 /nfs/dbraw/zinc/49/76/11/684497611.db2.gz ZWXMMXRFPYNFII-IAGOWNOFSA-N 2 0 330.476 2.093 20 30 EEEDRP CC[C@@H]1CCCC[N@@H+]1CCNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262360197 685653500 /nfs/dbraw/zinc/65/35/00/685653500.db2.gz GPWPMCVLPVXLLE-YYIAUSFCSA-N 2 0 336.524 2.229 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682174 693950534 /nfs/dbraw/zinc/95/05/34/693950534.db2.gz LEKCPYCGLXBABN-LJQANCHMSA-N 2 0 340.471 2.077 20 30 EEEDRP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)NC1CC[NH+](C(C)C)CC1 ZINC000262444362 686105332 /nfs/dbraw/zinc/10/53/32/686105332.db2.gz OUINMSSFAGWWLV-UHFFFAOYSA-N 2 0 342.491 2.409 20 30 EEEDRP C[C@@H]1C[NH+]=C(NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)N1 ZINC000262474411 686266693 /nfs/dbraw/zinc/26/66/93/686266693.db2.gz BSWMVWPJIKYLLB-IXDOHACOSA-N 2 0 344.503 2.133 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303899068 686937864 /nfs/dbraw/zinc/93/78/64/686937864.db2.gz VXNNPJZLSOOMEQ-BRWVUGGUSA-N 3 0 337.556 2.132 20 30 EEEDRP [NH2+]=C(NCc1ccc(F)cn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262574754 687301245 /nfs/dbraw/zinc/30/12/45/687301245.db2.gz ZWCZECIWCIQDPR-UHFFFAOYSA-N 2 0 341.434 2.290 20 30 EEEDRP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262789156 688472338 /nfs/dbraw/zinc/47/23/38/688472338.db2.gz NJRJNBXJGCAUEW-ROUUACIJSA-N 2 0 336.524 2.063 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)CC1 ZINC001030014927 689226035 /nfs/dbraw/zinc/22/60/35/689226035.db2.gz UNMJXGHSQFYICM-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989663840 692148479 /nfs/dbraw/zinc/14/84/79/692148479.db2.gz CAOVQTXWEXKFLI-RHSMWYFYSA-N 2 0 339.911 2.440 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880099 1192633405 /nfs/dbraw/zinc/63/34/05/1192633405.db2.gz HXUWSYJICGMCOZ-OKYOBFRVSA-N 2 0 331.504 2.073 20 30 EEEDRP C[N@H+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267102249 1178244991 /nfs/dbraw/zinc/24/49/91/1178244991.db2.gz YXQSVFUMXZZMSK-WOJBJXKFSA-N 2 0 339.483 2.055 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H](C)C1 ZINC000944124009 1192897958 /nfs/dbraw/zinc/89/79/58/1192897958.db2.gz ZGXIWPSJWNIGJW-NVXWUHKLSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752141033 1179310519 /nfs/dbraw/zinc/31/05/19/1179310519.db2.gz BXLUYKREYQHOQC-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001481120381 1179801660 /nfs/dbraw/zinc/80/16/60/1179801660.db2.gz CJBYIZLHMKCDHD-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001482533390 1186541876 /nfs/dbraw/zinc/54/18/76/1186541876.db2.gz LRFZIQNIBCFISS-MRXNPFEDSA-N 2 0 348.516 2.334 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001088353253 1186653874 /nfs/dbraw/zinc/65/38/74/1186653874.db2.gz UPMUORVGJPSDJK-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001105487111 1188103910 /nfs/dbraw/zinc/10/39/10/1188103910.db2.gz PZJPWBDDZRAXNB-ZJRDLVKKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)CCC1 ZINC001105575012 1188189107 /nfs/dbraw/zinc/18/91/07/1188189107.db2.gz OZSIOZGDVKVPQW-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320820 1188291135 /nfs/dbraw/zinc/29/11/35/1188291135.db2.gz QXUGJOFKGTUBFJ-UHFFFAOYSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244374 1188805866 /nfs/dbraw/zinc/80/58/66/1188805866.db2.gz PSBHLIXVTOGCRX-FRQCXROJSA-N 2 0 337.483 2.308 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447259 1188923696 /nfs/dbraw/zinc/92/36/96/1188923696.db2.gz ZDIAOSLUWWUGTK-RBUKOAKNSA-N 2 0 331.504 2.217 20 30 EEEDRP N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c3ccncc23)C1=O ZINC001272674266 1191017038 /nfs/dbraw/zinc/01/70/38/1191017038.db2.gz WZJXWEMTYCGFBX-LJQANCHMSA-N 2 0 337.427 2.434 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818016 1194440740 /nfs/dbraw/zinc/44/07/40/1194440740.db2.gz ALYBXPBUGGNMJF-IYWMVGAKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001033682211 1195063062 /nfs/dbraw/zinc/06/30/62/1195063062.db2.gz ASLLIKSOKIOHNP-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304326 1196093047 /nfs/dbraw/zinc/09/30/47/1196093047.db2.gz RQEDHZCXRHIYSU-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C[NH+](C)CC1(C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CCCC1 ZINC001273135863 1196360631 /nfs/dbraw/zinc/36/06/31/1196360631.db2.gz JJAAWDPOVQAPFN-HXUWFJFHSA-N 2 0 346.519 2.337 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583421 1199672469 /nfs/dbraw/zinc/67/24/69/1199672469.db2.gz KFRNNIGADKFQSI-HOTGVXAUSA-N 2 0 342.487 2.415 20 30 EEEDRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)(c2ccccc2)CC1 ZINC000877224080 1199883720 /nfs/dbraw/zinc/88/37/20/1199883720.db2.gz DAYNCRFMZVBFNK-SFHVURJKSA-N 2 0 342.487 2.177 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133334022 1200757827 /nfs/dbraw/zinc/75/78/27/1200757827.db2.gz PXWILPRBHSZCMN-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(F)(F)F ZINC000104158611 1204610592 /nfs/dbraw/zinc/61/05/92/1204610592.db2.gz JIWSLJOZZGRMTJ-CYBMUJFWSA-N 2 0 344.381 2.474 20 30 EEEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NCC2CCC2)CC1 ZINC000104166070 1204611552 /nfs/dbraw/zinc/61/15/52/1204611552.db2.gz OIJGOJHFXLUUJK-UHFFFAOYSA-N 2 0 343.519 2.029 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000104177038 1204612641 /nfs/dbraw/zinc/61/26/41/1204612641.db2.gz WSKGHNVRNWVZHJ-SJLPKXTDSA-N 2 0 332.492 2.399 20 30 EEEDRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001274507004 1205061277 /nfs/dbraw/zinc/06/12/77/1205061277.db2.gz BYAJTFAQLZMIMD-DVBCCOPCSA-N 2 0 347.890 2.294 20 30 EEEDRP C=CCC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000949531600 1209730360 /nfs/dbraw/zinc/73/03/60/1209730360.db2.gz MDLLAMLYQZLOTJ-UHFFFAOYSA-N 2 0 349.519 2.132 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000078926594 1210448396 /nfs/dbraw/zinc/44/83/96/1210448396.db2.gz NCDOCBRLIXNBLZ-UHFFFAOYSA-N 2 0 343.519 2.154 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccccc1F ZINC000303780765 1213905586 /nfs/dbraw/zinc/90/55/86/1213905586.db2.gz LPEYDWARASYYNC-OAHLLOKOSA-N 2 0 338.496 2.448 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)CC[NH+](CC)CC3)CC1 ZINC000957647989 1215295538 /nfs/dbraw/zinc/29/55/38/1215295538.db2.gz ZFYIGOSTECGTJH-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733074 1225605772 /nfs/dbraw/zinc/60/57/72/1225605772.db2.gz LCAPVMBCEVFTPQ-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP [NH2+]=C(NCC[NH+]1CCCCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304487381 1216055365 /nfs/dbraw/zinc/05/53/65/1216055365.db2.gz LZGZGXCBGHWPFE-UHFFFAOYSA-N 2 0 344.381 2.475 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1Cl ZINC000304814390 1216107313 /nfs/dbraw/zinc/10/73/13/1216107313.db2.gz ZPJOFWVJJOYXDD-UONOGXRCSA-N 2 0 338.883 2.496 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260104 1217115525 /nfs/dbraw/zinc/11/55/25/1217115525.db2.gz KAYWKCLSKIGQCO-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375836 1217164075 /nfs/dbraw/zinc/16/40/75/1217164075.db2.gz XOFYUMOCKROENR-UXHICEINSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336073 1226358449 /nfs/dbraw/zinc/35/84/49/1226358449.db2.gz HYCMKMNKIOGEIW-LJQANCHMSA-N 2 0 343.515 2.102 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016625289 1226699568 /nfs/dbraw/zinc/69/95/68/1226699568.db2.gz GKTIWTFMZBSHPT-CVEARBPZSA-N 2 0 337.895 2.051 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001019812647 1229359115 /nfs/dbraw/zinc/35/91/15/1229359115.db2.gz ZZUMSOCUQFXZQI-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183356 1230411498 /nfs/dbraw/zinc/41/14/98/1230411498.db2.gz ZWARRJAUWQJTDM-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040272903 1231144545 /nfs/dbraw/zinc/14/45/45/1231144545.db2.gz ACIUHBUVTBJLLV-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314016 1231164836 /nfs/dbraw/zinc/16/48/36/1231164836.db2.gz QNDSJTWZZPMHFI-AZUAARDMSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001040393734 1231204940 /nfs/dbraw/zinc/20/49/40/1231204940.db2.gz DCCURYUAFKGHFU-UXHICEINSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464012 1231247411 /nfs/dbraw/zinc/24/74/11/1231247411.db2.gz KBQBHQLCVIFVFZ-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040954052 1231409428 /nfs/dbraw/zinc/40/94/28/1231409428.db2.gz WASYCLUPKASWER-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396474 1231530575 /nfs/dbraw/zinc/53/05/75/1231530575.db2.gz SZSKYJOSKJPYSP-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC4CC4)[C@@H]3C2)CC1 ZINC001042369412 1232051179 /nfs/dbraw/zinc/05/11/79/1232051179.db2.gz XTSYZVGQBJSGRS-AZUAARDMSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C\Cl)CC1 ZINC001045895834 1234127749 /nfs/dbraw/zinc/12/77/49/1234127749.db2.gz PNQNBOWPAPQOQP-KASRQXQDSA-N 2 0 349.906 2.149 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966332 1234245543 /nfs/dbraw/zinc/24/55/43/1234245543.db2.gz UANIVKALFIBOPD-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046955013 1235352886 /nfs/dbraw/zinc/35/28/86/1235352886.db2.gz WPAOWBGTTGPUJB-HUUCEWRRSA-N 2 0 329.435 2.120 20 30 EEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001000151389 1240001606 /nfs/dbraw/zinc/00/16/06/1240001606.db2.gz UWIZJWYOTFZNQP-SFHVURJKSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049234403 1240337255 /nfs/dbraw/zinc/33/72/55/1240337255.db2.gz FIVDMNBALXRYPP-BBWFWOEESA-N 2 0 339.911 2.250 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001050606311 1243939220 /nfs/dbraw/zinc/93/92/20/1243939220.db2.gz YFKVYVGVZBLYCG-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050662672 1244071282 /nfs/dbraw/zinc/07/12/82/1244071282.db2.gz LYMQKFDEVKIWKB-AWEZNQCLSA-N 2 0 325.884 2.005 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709784 1244804731 /nfs/dbraw/zinc/80/47/31/1244804731.db2.gz RVJRBNKGXLBTNO-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954893 1245549034 /nfs/dbraw/zinc/54/90/34/1245549034.db2.gz VYFRVRJAIZUHLD-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001101569495 1245973059 /nfs/dbraw/zinc/97/30/59/1245973059.db2.gz CTBWIUJJPXGYAT-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101574866 1245978629 /nfs/dbraw/zinc/97/86/29/1245978629.db2.gz HGZFIUDHBNSPGO-WMZOPIPTSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001101597413 1246007242 /nfs/dbraw/zinc/00/72/42/1246007242.db2.gz JPTBZWQPIVCQKR-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054134234 1247485501 /nfs/dbraw/zinc/48/55/01/1247485501.db2.gz XLEILNYWRGFDJJ-ICSRJNTNSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589679 1247619566 /nfs/dbraw/zinc/61/95/66/1247619566.db2.gz MMFHOYBENPTFOW-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589678 1247620287 /nfs/dbraw/zinc/62/02/87/1247620287.db2.gz MMFHOYBENPTFOW-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245088 1247860554 /nfs/dbraw/zinc/86/05/54/1247860554.db2.gz OOIXFPCFXSAZCV-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245193 1247863437 /nfs/dbraw/zinc/86/34/37/1247863437.db2.gz PNHPAKHJYPFIMY-FQEVSTJZSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC=C(C)C)[C@@H](C)C2)CC1 ZINC001185730309 1278767224 /nfs/dbraw/zinc/76/72/24/1278767224.db2.gz MTDBWAGIGLZJSC-AZUAARDMSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185778289 1278777482 /nfs/dbraw/zinc/77/74/82/1278777482.db2.gz HXRBHKXGLWMIQE-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190467782 1280916522 /nfs/dbraw/zinc/91/65/22/1280916522.db2.gz YQDNDDXAAITCEF-RBUKOAKNSA-N 2 0 327.472 2.227 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001196341417 1284009582 /nfs/dbraw/zinc/00/95/82/1284009582.db2.gz OMPCAZPRFSKNIO-IRXDYDNUSA-N 2 0 330.476 2.335 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1OC ZINC001198876112 1285407973 /nfs/dbraw/zinc/40/79/73/1285407973.db2.gz OPMMMMNMBIIVER-KRWDZBQOSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CCCO1 ZINC001201668729 1289706677 /nfs/dbraw/zinc/70/66/77/1289706677.db2.gz KNNGEWQPLFGVEX-ZWKOTPCHSA-N 2 0 339.524 2.136 20 30 EEEDRP CC[NH+](CC)CCOc1ccccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852857082 1292217161 /nfs/dbraw/zinc/21/71/61/1292217161.db2.gz JMBJLIOMCDZQRW-UHFFFAOYSA-N 2 0 343.471 2.349 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702454 1294756520 /nfs/dbraw/zinc/75/65/20/1294756520.db2.gz ZTJFOSWCDLEDAA-PKOBYXMFSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738547 1296086712 /nfs/dbraw/zinc/08/67/12/1296086712.db2.gz YZWIWYKDEFZTHD-SFHVURJKSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636724 1296539605 /nfs/dbraw/zinc/53/96/05/1296539605.db2.gz QCFVKVQJADRYJX-ZIFCJYIRSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788268 1298148098 /nfs/dbraw/zinc/14/80/98/1298148098.db2.gz PKVMJUGAFXUYTL-WMZOPIPTSA-N 2 0 332.492 2.178 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC001220868505 1298566763 /nfs/dbraw/zinc/56/67/63/1298566763.db2.gz LCYBKSLDTRKPFL-IRXDYDNUSA-N 2 0 335.879 2.237 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098874868 1298734072 /nfs/dbraw/zinc/73/40/72/1298734072.db2.gz ILOADAPOMUCYKF-NSHGMRRFSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102595989 1301269542 /nfs/dbraw/zinc/26/95/42/1301269542.db2.gz IOEWHXQFLSAGCD-GDBMZVCRSA-N 2 0 327.900 2.299 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396934 1302905253 /nfs/dbraw/zinc/90/52/53/1302905253.db2.gz QLFIOIWMBKDCDL-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112195389 1304318347 /nfs/dbraw/zinc/31/83/47/1304318347.db2.gz XTAPFLKTFHZGBU-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP N#Cc1ccc(C2CCC([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246083465 1310233978 /nfs/dbraw/zinc/23/39/78/1310233978.db2.gz PKKUQLWQLMQUSI-WZOJCFFYSA-N 2 0 331.435 2.237 20 30 EEEDRP C[C@@H]1CC[C@@H](N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769966 1310422565 /nfs/dbraw/zinc/42/25/65/1310422565.db2.gz SGYZSZURTSYKMX-ZTNFWEORSA-N 2 0 338.455 2.128 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841849 1316062016 /nfs/dbraw/zinc/06/20/16/1316062016.db2.gz KYRZLZGQILMOIO-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001151398668 1316520089 /nfs/dbraw/zinc/52/00/89/1316520089.db2.gz CTJPILAKVBSDKZ-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001152330456 1316657519 /nfs/dbraw/zinc/65/75/19/1316657519.db2.gz NOEGFCYALUDQGP-KRWDZBQOSA-N 2 0 327.472 2.107 20 30 EEEDRP CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386714 1316665080 /nfs/dbraw/zinc/66/50/80/1316665080.db2.gz PBPJRSBZKYTXJT-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824849 1316893412 /nfs/dbraw/zinc/89/34/12/1316893412.db2.gz ZIVOZTNPSRJEHH-YLJYHZDGSA-N 2 0 341.499 2.205 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001155289379 1317539976 /nfs/dbraw/zinc/53/99/76/1317539976.db2.gz PMAZCSLHKFCERE-KDOFPFPSSA-N 2 0 348.466 2.364 20 30 EEEDRP C=CCOC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001252463444 1317607089 /nfs/dbraw/zinc/60/70/89/1317607089.db2.gz OOSMHHGUBQOMDB-GOSISDBHSA-N 2 0 334.460 2.131 20 30 EEEDRP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252553491 1317635254 /nfs/dbraw/zinc/63/52/54/1317635254.db2.gz YFERKKFCDKKLKV-HBMCJLEFSA-N 2 0 348.531 2.384 20 30 EEEDRP C=C(C)C(=O)NCCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001156826119 1318228919 /nfs/dbraw/zinc/22/89/19/1318228919.db2.gz LUKISWBQTLXTFU-UHFFFAOYSA-N 2 0 332.448 2.049 20 30 EEEDRP [NH2+]=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cn1 ZINC001256580187 1318788465 /nfs/dbraw/zinc/78/84/65/1318788465.db2.gz LNJAUVUYMLTIOQ-UHFFFAOYSA-N 2 0 329.835 2.500 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001160266552 1320116253 /nfs/dbraw/zinc/11/62/53/1320116253.db2.gz FKAWPAQOXVMGFY-KRWDZBQOSA-N 2 0 346.450 2.168 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001166010482 1321635776 /nfs/dbraw/zinc/63/57/76/1321635776.db2.gz OMECRRXRLDQSSM-GOSISDBHSA-N 2 0 349.906 2.374 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001166626675 1321752724 /nfs/dbraw/zinc/75/27/24/1321752724.db2.gz IZCVVSKMZWRVHX-INIZCTEOSA-N 2 0 347.890 2.272 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C12CCC2 ZINC001203348491 1321867748 /nfs/dbraw/zinc/86/77/48/1321867748.db2.gz DPHKHPRAEZNING-ZWKOTPCHSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205290318 1322343010 /nfs/dbraw/zinc/34/30/10/1322343010.db2.gz GMASZYNCNLMHNY-SFHVURJKSA-N 2 0 331.504 2.102 20 30 EEEDRP N#Cc1cc(-c2cccc(N3CC[NH2+]CC3)c2)ccc1N1CC[NH2+]CC1 ZINC001205915595 1323341524 /nfs/dbraw/zinc/34/15/24/1323341524.db2.gz LGDANODJUNIGTF-UHFFFAOYSA-N 2 0 347.466 2.044 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206274884 1323443590 /nfs/dbraw/zinc/44/35/90/1323443590.db2.gz MOYLRIBPODJDAA-LJQANCHMSA-N 2 0 337.483 2.050 20 30 EEEDRP CCCCCCC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206872799 1323651922 /nfs/dbraw/zinc/65/19/22/1323651922.db2.gz UFYJCYAURMHWLE-UHFFFAOYSA-N 2 0 341.540 2.363 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950440 1323736882 /nfs/dbraw/zinc/73/68/82/1323736882.db2.gz QYROECCIVOXQEW-UHFFFAOYSA-N 2 0 327.900 2.443 20 30 EEEDRP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207006815 1323786181 /nfs/dbraw/zinc/78/61/81/1323786181.db2.gz AYRLJPQXQYICBC-BRWVUGGUSA-N 2 0 348.491 2.036 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209715457 1325020003 /nfs/dbraw/zinc/02/00/03/1325020003.db2.gz IOUHBDCLAUORNF-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210751065 1325415322 /nfs/dbraw/zinc/41/53/22/1325415322.db2.gz RSQLNFXGRJWRCU-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001577078375 1344087466 /nfs/dbraw/zinc/08/74/66/1344087466.db2.gz YKAOIOBNTXRJTP-BIWSTMPVSA-N 2 0 341.459 2.182 20 30 EEEDRP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001046990875 1370046411 /nfs/dbraw/zinc/04/64/11/1370046411.db2.gz XLXQYOSNJPWIIB-RDJZCZTQSA-N 2 0 341.446 2.122 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353347 1371410212 /nfs/dbraw/zinc/41/02/12/1371410212.db2.gz CVPCAJKPKGSCKE-BJLQDIEVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001120197205 1371813543 /nfs/dbraw/zinc/81/35/43/1371813543.db2.gz YBVWIGNSTRYIRQ-UHFFFAOYSA-N 2 0 327.472 2.404 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577671 1373055544 /nfs/dbraw/zinc/05/55/44/1373055544.db2.gz CXQWIAHCJWJPGZ-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001374323233 1376682505 /nfs/dbraw/zinc/68/25/05/1376682505.db2.gz WDYLVORNETWMNE-RDTXWAMCSA-N 2 0 348.466 2.220 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001393526192 1390459155 /nfs/dbraw/zinc/45/91/55/1390459155.db2.gz VAEZTPNVNYIYNV-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001393827569 1390554562 /nfs/dbraw/zinc/55/45/62/1390554562.db2.gz KPMVIXYDWYKCGT-BBRMVZONSA-N 2 0 336.505 2.190 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001399904507 1395627190 /nfs/dbraw/zinc/62/71/90/1395627190.db2.gz OIVWBLSYZTWPTA-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001402247148 1397893644 /nfs/dbraw/zinc/89/36/44/1397893644.db2.gz IIKHUJPJKGURIS-HNNXBMFYSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001403239261 1398494895 /nfs/dbraw/zinc/49/48/95/1398494895.db2.gz BBSPDCLDRUGFKJ-INIZCTEOSA-N 2 0 339.911 2.299 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001423491215 1400600632 /nfs/dbraw/zinc/60/06/32/1400600632.db2.gz FJGAZGDGZAJMHK-KRWDZBQOSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001755852543 1407905660 /nfs/dbraw/zinc/90/56/60/1407905660.db2.gz VTKAFRVZBZYDEW-KBPBESRZSA-N 2 0 335.414 2.273 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791073 782257023 /nfs/dbraw/zinc/25/70/23/782257023.db2.gz UTHUXKBXMVZCNT-RBUKOAKNSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439740 782355029 /nfs/dbraw/zinc/35/50/29/782355029.db2.gz UEHQZVXFBQERCL-IEBWSBKVSA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291909 758132405 /nfs/dbraw/zinc/13/24/05/758132405.db2.gz ZLMDPXFEFPSKEL-DAXOMENPSA-N 2 0 327.900 2.153 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167480497 759825897 /nfs/dbraw/zinc/82/58/97/759825897.db2.gz HUDNEPYNNYWWEX-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211661670 769832145 /nfs/dbraw/zinc/83/21/45/769832145.db2.gz FPNKMEVULOTKSS-RBUKOAKNSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979715785 770939406 /nfs/dbraw/zinc/93/94/06/770939406.db2.gz RXSKNNYOTVBTOA-FHWLQOOXSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980004969 773701435 /nfs/dbraw/zinc/70/14/35/773701435.db2.gz WQKKDGAQBLMQAG-OKZBNKHCSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780014 783201486 /nfs/dbraw/zinc/20/14/86/783201486.db2.gz XSZFFNYWYVWHCS-QKLQHJQFSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734831 774812237 /nfs/dbraw/zinc/81/22/37/774812237.db2.gz YPZDTUAGMHIXPN-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045706 776774921 /nfs/dbraw/zinc/77/49/21/776774921.db2.gz OORZEDLGTPRLPU-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366331 777262093 /nfs/dbraw/zinc/26/20/93/777262093.db2.gz BQRYYQKMSJQQDL-CVEARBPZSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001089831992 777327771 /nfs/dbraw/zinc/32/77/71/777327771.db2.gz PWZFSDLNRPTNJF-VJANTYMQSA-N 2 0 343.515 2.360 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851584 778034262 /nfs/dbraw/zinc/03/42/62/778034262.db2.gz WWWSGCVLIQBYIJ-RDGPPVDQSA-N 2 0 331.504 2.073 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767227 778165110 /nfs/dbraw/zinc/16/51/10/778165110.db2.gz JDSGBKNJLWGUBK-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982117040 779128346 /nfs/dbraw/zinc/12/83/46/779128346.db2.gz XWMDWNCMAXIPMN-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001035050720 783655673 /nfs/dbraw/zinc/65/56/73/783655673.db2.gz HKPRDNZMEGWSEK-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035165954 783899267 /nfs/dbraw/zinc/89/92/67/783899267.db2.gz BVHYWWFVDJNQOE-HNNXBMFYSA-N 2 0 325.884 2.148 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035183974 784018802 /nfs/dbraw/zinc/01/88/02/784018802.db2.gz CEOQYOKKJJGWOK-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035245580 784180376 /nfs/dbraw/zinc/18/03/76/784180376.db2.gz ULLMYZCHCPVSBW-UHFFFAOYSA-N 2 0 337.895 2.149 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960705 784900885 /nfs/dbraw/zinc/90/08/85/784900885.db2.gz GMTIYJPDWAJDDQ-UONOGXRCSA-N 2 0 348.329 2.500 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035704454 784984893 /nfs/dbraw/zinc/98/48/93/784984893.db2.gz AXUVNLIOIPAWCY-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001035706309 784988633 /nfs/dbraw/zinc/98/86/33/784988633.db2.gz MNBDMNXUDFKJML-GOSISDBHSA-N 2 0 343.515 2.199 20 30 EEEDRP N#Cc1ccc([C@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000819206467 785457091 /nfs/dbraw/zinc/45/70/91/785457091.db2.gz VANMZIIKXNRKNG-HXUWFJFHSA-N 2 0 336.439 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036095568 785749202 /nfs/dbraw/zinc/74/92/02/785749202.db2.gz WYVJJLWTSUMCEI-UKRRQHHQSA-N 2 0 325.884 2.194 20 30 EEEDRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1)[NH+](C)C ZINC000995953515 785869352 /nfs/dbraw/zinc/86/93/52/785869352.db2.gz VUKLUJYXBDVHBQ-MSOLQXFVSA-N 2 0 342.487 2.225 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816132 788523768 /nfs/dbraw/zinc/52/37/68/788523768.db2.gz AWXJNUNLFXHOHM-IEBWSBKVSA-N 2 0 339.524 2.258 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCc3ccccc3)C2)C1 ZINC001148321517 792336212 /nfs/dbraw/zinc/33/62/12/792336212.db2.gz XNGSWAKNINSCGC-UHFFFAOYSA-N 2 0 341.499 2.271 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981785 792351561 /nfs/dbraw/zinc/35/15/61/792351561.db2.gz GHAKKDQDXFMWKI-IEBWSBKVSA-N 2 0 337.508 2.034 20 30 EEEDRP N#Cc1ccc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000998269956 792409731 /nfs/dbraw/zinc/40/97/31/792409731.db2.gz SDZQMCXGZPVTKR-UHFFFAOYSA-N 2 0 346.500 2.044 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992149252 792927494 /nfs/dbraw/zinc/92/74/94/792927494.db2.gz NBLPUEUZZGHMNG-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156449 792953925 /nfs/dbraw/zinc/95/39/25/792953925.db2.gz WGCWGPJPZUTVSB-NVXWUHKLSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927925 793050981 /nfs/dbraw/zinc/05/09/81/793050981.db2.gz QQSTVHSGNRBVRM-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992191821 793155116 /nfs/dbraw/zinc/15/51/16/793155116.db2.gz SBRFWHKSVSFNML-KFKAGJAMSA-N 2 0 337.483 2.498 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190847 793653989 /nfs/dbraw/zinc/65/39/89/793653989.db2.gz YJXLQNMSGPAEIW-DYXWJJEUSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)CC1 ZINC001089259918 793783841 /nfs/dbraw/zinc/78/38/41/793783841.db2.gz UJYKZAOHXGUFOP-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999278306 794201467 /nfs/dbraw/zinc/20/14/67/794201467.db2.gz IMMYPXRGXRPKNM-QQFBHYJXSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721903 794256586 /nfs/dbraw/zinc/25/65/86/794256586.db2.gz TVZFUMMKACLGDW-GDBMZVCRSA-N 2 0 339.911 2.299 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(C)C)CC3)CC1 ZINC000992502092 794434912 /nfs/dbraw/zinc/43/49/12/794434912.db2.gz AKHOBSDBLZAHHK-ICSRJNTNSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC[C@H](C)F)CC3)CC1 ZINC000992515709 794472619 /nfs/dbraw/zinc/47/26/19/794472619.db2.gz ZRBOVTSSPVUSCD-QRFRQXIXSA-N 2 0 349.494 2.193 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079320666 794577537 /nfs/dbraw/zinc/57/75/37/794577537.db2.gz CLALLERBMIVHHG-VDZJLULYSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461491 796273445 /nfs/dbraw/zinc/27/34/45/796273445.db2.gz ZPUXHVPOUGYZGV-UYAOXDASSA-N 2 0 336.439 2.332 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902986 796441342 /nfs/dbraw/zinc/44/13/42/796441342.db2.gz SXITUAZYRWGDMU-PKOBYXMFSA-N 2 0 327.472 2.471 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081134434 796662903 /nfs/dbraw/zinc/66/29/03/796662903.db2.gz VVQRTYZNYPUNFQ-IPMKNSEASA-N 2 0 329.488 2.487 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081178159 796678921 /nfs/dbraw/zinc/67/89/21/796678921.db2.gz IUCXNWLYKAFPIA-RBUKOAKNSA-N 2 0 341.499 2.489 20 30 EEEDRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001082575027 797595371 /nfs/dbraw/zinc/59/53/71/797595371.db2.gz GSEDOOAHWHMVDA-LZQZEXGQSA-N 2 0 342.487 2.081 20 30 EEEDRP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099300022 797655719 /nfs/dbraw/zinc/65/57/19/797655719.db2.gz YTIIFVCSSWMEAH-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001082755851 797681218 /nfs/dbraw/zinc/68/12/18/797681218.db2.gz DVSKGQLUEIZLBJ-RSPOEFSDSA-N 2 0 341.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC[C@H](C)F)[C@H]3C2)CC1 ZINC001085100538 798674245 /nfs/dbraw/zinc/67/42/45/798674245.db2.gz KUACDCLVQUZJIA-SCTDSRPQSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(C)C)C2)CC1 ZINC001112584950 806704348 /nfs/dbraw/zinc/70/43/48/806704348.db2.gz QXBPDTRXKWGSEZ-FPOVZHCZSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178534991 799512057 /nfs/dbraw/zinc/51/20/57/799512057.db2.gz FERJAQQFUQOGAL-MSOLQXFVSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC001003378515 799586348 /nfs/dbraw/zinc/58/63/48/799586348.db2.gz SDQMFQPMMYJQPG-LJQANCHMSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272980 800343443 /nfs/dbraw/zinc/34/34/43/800343443.db2.gz RLBRPMVDZZQKNH-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC(=C)Cl)CC1 ZINC001180361112 800383575 /nfs/dbraw/zinc/38/35/75/800383575.db2.gz TVUCODALCBCAKO-UHFFFAOYSA-N 2 0 339.911 2.350 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085422457 800481415 /nfs/dbraw/zinc/48/14/15/800481415.db2.gz UMIKFMBZMXUUOU-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC=C)C1 ZINC001181763176 800896167 /nfs/dbraw/zinc/89/61/67/800896167.db2.gz BEVHEYDOGACIFX-WSTZPKSXSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001183433580 801604532 /nfs/dbraw/zinc/60/45/32/801604532.db2.gz WMWHXPRUSDPVQJ-UYAOXDASSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001085986411 801838950 /nfs/dbraw/zinc/83/89/50/801838950.db2.gz DCFUIYLSNORGHQ-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001085986675 801839836 /nfs/dbraw/zinc/83/98/36/801839836.db2.gz KNDCEYZFBKJAHT-FQEVSTJZSA-N 2 0 339.483 2.065 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621268 802263042 /nfs/dbraw/zinc/26/30/42/802263042.db2.gz ROUSBFQYZWJZCT-HSALFYBXSA-N 2 0 345.531 2.158 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086250123 802605491 /nfs/dbraw/zinc/60/54/91/802605491.db2.gz COFDIPUIGASZKK-WOVMCDHWSA-N 2 0 339.911 2.345 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082500 802954879 /nfs/dbraw/zinc/95/48/79/802954879.db2.gz COMJAPMCJMVINJ-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086460076 803016226 /nfs/dbraw/zinc/01/62/26/803016226.db2.gz HNUCJPDVMAZJEJ-MQMHXKEQSA-N 2 0 325.840 2.192 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108775794 804481155 /nfs/dbraw/zinc/48/11/55/804481155.db2.gz JJBABXUCLLIWQW-SXLOBPIMSA-N 2 0 339.483 2.354 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086579254 808142628 /nfs/dbraw/zinc/14/26/28/808142628.db2.gz SZVYOXWEWYQWHL-IPMKNSEASA-N 2 0 327.472 2.241 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC/C=C/CCC)CC2)CC1 ZINC001113677909 809518903 /nfs/dbraw/zinc/51/89/03/809518903.db2.gz XMMCIJIIYXSLJB-VOTSOKGWSA-N 2 0 331.504 2.222 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC001129430741 810850727 /nfs/dbraw/zinc/85/07/27/810850727.db2.gz WWZKLWRANREHDW-KRWDZBQOSA-N 2 0 346.500 2.233 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001130401752 811580206 /nfs/dbraw/zinc/58/02/06/811580206.db2.gz MGZWWNKISOKWAT-OAHLLOKOSA-N 2 0 347.507 2.122 20 30 EEEDRP N#Cc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170523002 812205510 /nfs/dbraw/zinc/20/55/10/812205510.db2.gz WOXWFOOCSZAJAJ-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001437938240 1090531225 /nfs/dbraw/zinc/53/12/25/1090531225.db2.gz CWAKDFRRSQRLBH-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001438600915 1091089297 /nfs/dbraw/zinc/08/92/97/1091089297.db2.gz MSHAKEMMGBBIOD-UHFFFAOYSA-N 2 0 325.884 2.386 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440653201 1093924635 /nfs/dbraw/zinc/92/46/35/1093924635.db2.gz YRQKAVCJTBIIDQ-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP Cc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000273299740 256285156 /nfs/dbraw/zinc/28/51/56/256285156.db2.gz GVVZXRCSSDIUKR-UHFFFAOYSA-N 2 0 336.443 2.281 20 30 EEEDRP COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1C#N ZINC000289391840 275113169 /nfs/dbraw/zinc/11/31/69/275113169.db2.gz FAJAETYDHOHZGX-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C[C@H](C[NH+](C)C)Nc1cc(C#N)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)c1 ZINC000343785796 289520739 /nfs/dbraw/zinc/52/07/39/289520739.db2.gz GOXMAVYAFTZNRJ-CHWSQXEVSA-N 2 0 348.451 2.190 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)C(C)C ZINC000355469319 465250877 /nfs/dbraw/zinc/25/08/77/465250877.db2.gz FIGHVESLYOIYHS-ZWKOTPCHSA-N 2 0 336.524 2.421 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)Cc2ncc(C)c(OC)c2C)CC1 ZINC000195007686 463974902 /nfs/dbraw/zinc/97/49/02/463974902.db2.gz HBMHPLLBKLFFQQ-UHFFFAOYSA-N 2 0 329.444 2.011 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903881 464008781 /nfs/dbraw/zinc/00/87/81/464008781.db2.gz PSDOLVUSVVRCIU-QFBILLFUSA-N 2 0 346.519 2.295 20 30 EEEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262788414 464047200 /nfs/dbraw/zinc/04/72/00/464047200.db2.gz NGCINIKTFBCIOT-CQSZACIVSA-N 2 0 347.532 2.462 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000264086342 464281284 /nfs/dbraw/zinc/28/12/84/464281284.db2.gz JNAHRQOYTGYOOX-UHFFFAOYSA-N 2 0 332.492 2.385 20 30 EEEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000264107409 464284297 /nfs/dbraw/zinc/28/42/97/464284297.db2.gz OCBUAVIXBYTZET-LJQANCHMSA-N 3 0 345.535 2.417 20 30 EEEDRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCc2nccn2C1 ZINC000329961115 465488390 /nfs/dbraw/zinc/48/83/90/465488390.db2.gz RKQPFTZNOQPOBV-HZPDHXFCSA-N 2 0 333.480 2.214 20 30 EEEDRP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ncn1 ZINC000329911131 465470756 /nfs/dbraw/zinc/47/07/56/465470756.db2.gz WGAJSLHRDQCNFF-QLFBSQMISA-N 2 0 346.479 2.316 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343756531 465550260 /nfs/dbraw/zinc/55/02/60/465550260.db2.gz YYYPXPWBQJLVGE-XLIONFOSSA-N 2 0 326.488 2.210 20 30 EEEDRP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367263159 466225864 /nfs/dbraw/zinc/22/58/64/466225864.db2.gz TXNBGDJFCVTUOH-IBGZPJMESA-N 2 0 342.487 2.167 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368141275 466583400 /nfs/dbraw/zinc/58/34/00/466583400.db2.gz DDPNYEOFTIJOST-SFHVURJKSA-N 2 0 325.472 2.356 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592066069 468610143 /nfs/dbraw/zinc/61/01/43/468610143.db2.gz GUUMLWJOBNMQDM-ZWKOTPCHSA-N 2 0 328.460 2.036 20 30 EEEDRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1C#N)[NH+]1CCCCC1 ZINC000600734725 468642115 /nfs/dbraw/zinc/64/21/15/468642115.db2.gz KHWBGVHHJXSURJ-SJLPKXTDSA-N 2 0 331.460 2.152 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000598721121 468973533 /nfs/dbraw/zinc/97/35/33/468973533.db2.gz SLHPQFCULYMEST-RTBURBONSA-N 2 0 329.488 2.441 20 30 EEEDRP CN1CCC([NH+]2CCC(Nc3nc(C#N)c(Cl)s3)CC2)CC1 ZINC000596102806 469156618 /nfs/dbraw/zinc/15/66/18/469156618.db2.gz QZVBMNBATCABOK-UHFFFAOYSA-N 2 0 339.896 2.639 20 30 EEEDRP CC[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660264 469329122 /nfs/dbraw/zinc/32/91/22/469329122.db2.gz LHZVJAKSMUMQGA-UHFFFAOYSA-N 2 0 330.476 2.332 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@H+]1CC ZINC000764623162 577740228 /nfs/dbraw/zinc/74/02/28/577740228.db2.gz HOAVYZYBBUKJSB-GOSISDBHSA-N 2 0 345.487 2.323 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214809 676157806 /nfs/dbraw/zinc/15/78/06/676157806.db2.gz QHFHIIAIVPORCU-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138978 675643134 /nfs/dbraw/zinc/64/31/34/675643134.db2.gz ZNKGTVYZMDSJLH-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022070172 676632648 /nfs/dbraw/zinc/63/26/48/676632648.db2.gz RHNUQYYNXFBRMF-HZSPNIEDSA-N 2 0 344.297 2.005 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022070533 676634692 /nfs/dbraw/zinc/63/46/92/676634692.db2.gz WEFFKPWKXFHYDS-CEXWTWQISA-N 2 0 340.471 2.168 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646043 679447430 /nfs/dbraw/zinc/44/74/30/679447430.db2.gz HGHLRMILNXFWKT-SFHVURJKSA-N 2 0 327.472 2.213 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N ZINC001024366917 679883787 /nfs/dbraw/zinc/88/37/87/679883787.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726236 682111972 /nfs/dbraw/zinc/11/19/72/682111972.db2.gz SVWMZHPRXUFFRJ-JYRKZWEQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011612 682670425 /nfs/dbraw/zinc/67/04/25/682670425.db2.gz AVZABJNYYCPSBD-INIZCTEOSA-N 2 0 331.460 2.196 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992904949 683633461 /nfs/dbraw/zinc/63/34/61/683633461.db2.gz HUMGKMUPGPLOLZ-BZUAXINKSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511702 684805297 /nfs/dbraw/zinc/80/52/97/684805297.db2.gz YCGRWBWOTXBHOL-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP C#Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000896043200 684816222 /nfs/dbraw/zinc/81/62/22/684816222.db2.gz OBJVNSLYEHDQGL-LJQANCHMSA-N 2 0 327.472 2.156 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358083 694028552 /nfs/dbraw/zinc/02/85/52/694028552.db2.gz VHPZJQQHWSESAD-CMKODMSKSA-N 2 0 331.504 2.055 20 30 EEEDRP CCO[C@@H]1C[C@@H](NC(NC2CC[NH+](C(C)C)CC2)=[NH+]C)C12CCC2 ZINC000262505767 686514598 /nfs/dbraw/zinc/51/45/98/686514598.db2.gz ZUZSMFQSODYHEC-IAGOWNOFSA-N 2 0 336.524 2.372 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000978949560 694049576 /nfs/dbraw/zinc/04/95/76/694049576.db2.gz BLPWDPYYKAYZNB-OWZKRDHZSA-N 2 0 345.531 2.369 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991016231 694192455 /nfs/dbraw/zinc/19/24/55/694192455.db2.gz FPNSURIIAWVYGE-WSTZPKSXSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C)CC1 ZINC000987578927 689853088 /nfs/dbraw/zinc/85/30/88/689853088.db2.gz YYNLJJDZASPSIV-FXAWDEMLSA-N 2 0 343.515 2.411 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241284 692069518 /nfs/dbraw/zinc/06/95/18/692069518.db2.gz MWFCFJBALDUZTG-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541926 692788290 /nfs/dbraw/zinc/78/82/90/692788290.db2.gz DGDINJRXENBCRR-MOPGFXCFSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000977655199 692884763 /nfs/dbraw/zinc/88/47/63/692884763.db2.gz NNDJROQPAHMEBZ-SFHVURJKSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001485672600 1191891094 /nfs/dbraw/zinc/89/10/94/1191891094.db2.gz JENHGONKVWJISY-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089383 1193362280 /nfs/dbraw/zinc/36/22/80/1193362280.db2.gz GYOSSMLIILIIGR-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001482492114 1186307805 /nfs/dbraw/zinc/30/78/05/1186307805.db2.gz IGBXGARXYOGYIQ-DZGCQCFKSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[C@@H](C(=O)N(C)CCN(C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001482643237 1187473568 /nfs/dbraw/zinc/47/35/68/1187473568.db2.gz JZGULJABLGFNEQ-SFHVURJKSA-N 2 0 349.906 2.422 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544324 1188157636 /nfs/dbraw/zinc/15/76/36/1188157636.db2.gz HHHYPYBWCJNNHJ-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105561705 1188178207 /nfs/dbraw/zinc/17/82/07/1188178207.db2.gz PRIYBRVJMUAHOP-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034715184 1196604354 /nfs/dbraw/zinc/60/43/54/1196604354.db2.gz JQFGYCRGLVEDCX-LNLFQRSKSA-N 2 0 331.504 2.434 20 30 EEEDRP C#CCN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143774 1197008647 /nfs/dbraw/zinc/00/86/47/1197008647.db2.gz KYSWIRYBRUMEMR-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369981 1199528567 /nfs/dbraw/zinc/52/85/67/1199528567.db2.gz VFYBSPPDPZFSQS-SJORKVTESA-N 2 0 339.524 2.326 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310909 1199562047 /nfs/dbraw/zinc/56/20/47/1199562047.db2.gz PYSCJVPASZINMF-ICSRJNTNSA-N 2 0 341.499 2.153 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736557 1199780400 /nfs/dbraw/zinc/78/04/00/1199780400.db2.gz GQIRDCJWPTVTTD-IRXDYDNUSA-N 2 0 339.524 2.184 20 30 EEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134739275 1199782000 /nfs/dbraw/zinc/78/20/00/1199782000.db2.gz BQZHIDJRGLQGCS-DLBZAZTESA-N 2 0 339.524 2.184 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950378 1200227111 /nfs/dbraw/zinc/22/71/11/1200227111.db2.gz MPIMCADMEACMTM-ZBFHGGJFSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133065316 1200388414 /nfs/dbraw/zinc/38/84/14/1200388414.db2.gz XACCIJLJWZQARD-UKRRQHHQSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001133403839 1200865605 /nfs/dbraw/zinc/86/56/05/1200865605.db2.gz MKIHPNJAXRYJEK-INIZCTEOSA-N 2 0 347.890 2.376 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC000870950851 1200973645 /nfs/dbraw/zinc/97/36/45/1200973645.db2.gz OJWGYTGVFKNDSR-IYARVYRRSA-N 2 0 340.471 2.156 20 30 EEEDRP CC[C@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+](CC)CC ZINC001133684701 1201196633 /nfs/dbraw/zinc/19/66/33/1201196633.db2.gz LMOIKRRNGREINP-QGZVFWFLSA-N 2 0 334.439 2.024 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202764219 1204892601 /nfs/dbraw/zinc/89/26/01/1204892601.db2.gz LSONYXOLBPUWCY-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)cc1 ZINC001275132404 1205264619 /nfs/dbraw/zinc/26/46/19/1205264619.db2.gz RQCKKXRATKLKIG-LEWJYISDSA-N 2 0 339.483 2.281 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435453 1209136829 /nfs/dbraw/zinc/13/68/29/1209136829.db2.gz LTMQFSYCBWGKNI-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277137 1209233729 /nfs/dbraw/zinc/23/37/29/1209233729.db2.gz CGSOHTCILVSVAF-KURKYZTESA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000957573173 1215222477 /nfs/dbraw/zinc/22/24/77/1215222477.db2.gz LJKMABCHVBWBRV-UHFFFAOYSA-N 2 0 343.515 2.343 20 30 EEEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000304661889 1216083605 /nfs/dbraw/zinc/08/36/05/1216083605.db2.gz JYQWZXRUOJFPTM-MRXNPFEDSA-N 2 0 343.519 2.318 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2c1cccc2C ZINC000304744873 1216102676 /nfs/dbraw/zinc/10/26/76/1216102676.db2.gz DXCUQJCATFOMLI-INIZCTEOSA-N 2 0 327.476 2.407 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000959928366 1216237426 /nfs/dbraw/zinc/23/74/26/1216237426.db2.gz YNQIGGAZMCRPLS-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CC1 ZINC001037276076 1216277591 /nfs/dbraw/zinc/27/75/91/1216277591.db2.gz GSGQNINADWXBIJ-MOPGFXCFSA-N 2 0 331.504 2.006 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262854 1217117030 /nfs/dbraw/zinc/11/70/30/1217117030.db2.gz QNXBATGIYYKYEF-IRXDYDNUSA-N 2 0 330.476 2.099 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266364 1217118200 /nfs/dbraw/zinc/11/82/00/1217118200.db2.gz XFBIBWNGUODSJE-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961384180 1217168348 /nfs/dbraw/zinc/16/83/48/1217168348.db2.gz NVLPGACETRJRBY-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410405 1217179244 /nfs/dbraw/zinc/17/92/44/1217179244.db2.gz HNKARFUJIZGFIM-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434510 1217189094 /nfs/dbraw/zinc/18/90/94/1217189094.db2.gz GHJFMJVZLDTMKU-FQEVSTJZSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383287 1217579983 /nfs/dbraw/zinc/57/99/83/1217579983.db2.gz MXDXPQIZFXASAQ-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965842551 1219280841 /nfs/dbraw/zinc/28/08/41/1219280841.db2.gz SUHCMVUQUJPZOB-DPGVGJJJSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)CC1 ZINC000965928816 1219367713 /nfs/dbraw/zinc/36/77/13/1219367713.db2.gz ONQLGPHGTJZGLX-UHFFFAOYSA-N 2 0 343.515 2.149 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037872899 1219733275 /nfs/dbraw/zinc/73/32/75/1219733275.db2.gz NLCRRRPXWDDPTG-WMZOPIPTSA-N 2 0 333.520 2.489 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968645039 1221460338 /nfs/dbraw/zinc/46/03/38/1221460338.db2.gz KTWYYWGPEBTDBB-RTBURBONSA-N 2 0 340.471 2.122 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968645081 1221460342 /nfs/dbraw/zinc/46/03/42/1221460342.db2.gz MDQOPUBBUVDZRX-RTBURBONSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001016621287 1226694163 /nfs/dbraw/zinc/69/41/63/1226694163.db2.gz NWITWPXAQGLLCN-ROUUACIJSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416693 1229084237 /nfs/dbraw/zinc/08/42/37/1229084237.db2.gz TYNDITAYVQWZAQ-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038717569 1229994734 /nfs/dbraw/zinc/99/47/34/1229994734.db2.gz OMMLMLZLTGLPRU-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038717571 1229995030 /nfs/dbraw/zinc/99/50/30/1229995030.db2.gz OMMLMLZLTGLPRU-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039132881 1230343420 /nfs/dbraw/zinc/34/34/20/1230343420.db2.gz QHHLWDKTRPOWEN-BHIYHBOVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163768 1230384576 /nfs/dbraw/zinc/38/45/76/1230384576.db2.gz AOGWUZDSWZQAEZ-LJQANCHMSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCCC)C3)C2)CC1 ZINC001041844545 1231728017 /nfs/dbraw/zinc/72/80/17/1231728017.db2.gz KLGKXMIKQHUEIK-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845954 1231728708 /nfs/dbraw/zinc/72/87/08/1231728708.db2.gz TXDDSUBHNXXJSA-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366356 1232048889 /nfs/dbraw/zinc/04/88/89/1232048889.db2.gz VFZZJKLBYDENSE-HKUYNNGSSA-N 2 0 327.472 2.471 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001044674969 1233169619 /nfs/dbraw/zinc/16/96/19/1233169619.db2.gz YTLIIPFGCRVBRW-HOTGVXAUSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CCC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646372 1233880114 /nfs/dbraw/zinc/88/01/14/1233880114.db2.gz HXKWDDRLZHKOKV-UHFFFAOYSA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941298 1234199080 /nfs/dbraw/zinc/19/90/80/1234199080.db2.gz IPSLVIXIPAJONW-PZJWPPBQSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942581 1234201131 /nfs/dbraw/zinc/20/11/31/1234201131.db2.gz VGDUAVSIEQUCTL-ICSRJNTNSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045942981 1234201887 /nfs/dbraw/zinc/20/18/87/1234201887.db2.gz DQTOTRMHDGCWAE-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256483 1235759734 /nfs/dbraw/zinc/75/97/34/1235759734.db2.gz KWISASCQRAJFIR-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047261339 1235768541 /nfs/dbraw/zinc/76/85/41/1235768541.db2.gz FCMZTJSECRNNEK-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C3CC[NH+](CC)CC3)C2)CC1 ZINC001047266217 1235779401 /nfs/dbraw/zinc/77/94/01/1235779401.db2.gz TVEHJDFRTLYPEU-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001404077 1242206536 /nfs/dbraw/zinc/20/65/36/1242206536.db2.gz FBNRHLNTBSOOTA-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845357 1242399276 /nfs/dbraw/zinc/39/92/76/1242399276.db2.gz XXGQICYYJVKYPI-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@H](C)CC)CC1 ZINC001049922253 1242720448 /nfs/dbraw/zinc/72/04/48/1242720448.db2.gz YMWCIOKNXFNDKW-MISYRCLQSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157753 1243003170 /nfs/dbraw/zinc/00/31/70/1243003170.db2.gz KHWGAKQOPUJSOV-CEXWTWQISA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040416 1245745970 /nfs/dbraw/zinc/74/59/70/1245745970.db2.gz JOYWGAUNZBJZIO-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054127 1245782859 /nfs/dbraw/zinc/78/28/59/1245782859.db2.gz IEUPYOBEUBGTIP-VQTJNVASSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054035294 1247187109 /nfs/dbraw/zinc/18/71/09/1247187109.db2.gz JCCNRGZQKNFZCB-RTBURBONSA-N 2 0 327.472 2.200 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551956 1247541782 /nfs/dbraw/zinc/54/17/82/1247541782.db2.gz POWXMGCLFRCKGY-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054198521 1247689910 /nfs/dbraw/zinc/68/99/10/1247689910.db2.gz YVMMWUUPATXLTK-YJBOKZPZSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214087 1247736679 /nfs/dbraw/zinc/73/66/79/1247736679.db2.gz QURSYUXBEWBQOT-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001054233971 1247806278 /nfs/dbraw/zinc/80/62/78/1247806278.db2.gz ULXDZLRUJVPQAX-PMACEKPBSA-N 2 0 331.504 2.363 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243778 1254088058 /nfs/dbraw/zinc/08/80/58/1254088058.db2.gz LGJHASJJIUDLEW-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828834 1254692263 /nfs/dbraw/zinc/69/22/63/1254692263.db2.gz VLTTUZNGEBIISF-VQIMIIECSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522961 1258190050 /nfs/dbraw/zinc/19/00/50/1258190050.db2.gz XSNIHNWXXCWDFZ-OKYOBFRVSA-N 2 0 345.531 2.463 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001100900219 1259412872 /nfs/dbraw/zinc/41/28/72/1259412872.db2.gz WQTMHHANGGVBDM-UHFFFAOYSA-N 2 0 345.462 2.003 20 30 EEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001201037550 1287266628 /nfs/dbraw/zinc/26/66/28/1287266628.db2.gz LQUKNJGVGXWKPM-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644720 1280991949 /nfs/dbraw/zinc/99/19/49/1280991949.db2.gz KQYNBKMDVDPKGY-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400620 1282484553 /nfs/dbraw/zinc/48/45/53/1282484553.db2.gz ZQOYLFTYQBYZNQ-ICSRJNTNSA-N 2 0 327.472 2.019 20 30 EEEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424491 1282501926 /nfs/dbraw/zinc/50/19/26/1282501926.db2.gz MPHWHDKCUWGFRV-RTBURBONSA-N 2 0 327.472 2.235 20 30 EEEDRP C#CCC[NH2+][C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198969789 1285452448 /nfs/dbraw/zinc/45/24/48/1285452448.db2.gz WSLBAHITXHTVDQ-SFHVURJKSA-N 2 0 345.487 2.197 20 30 EEEDRP C#Cc1cccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1 ZINC001273800406 1285982794 /nfs/dbraw/zinc/98/27/94/1285982794.db2.gz LUVLGXZINUEECC-UHFFFAOYSA-N 2 0 339.483 2.044 20 30 EEEDRP C[NH+]1CCN(c2cc(Nc3ccc(Cl)nc3C#N)cc[nH+]2)CC1 ZINC001201649268 1289717161 /nfs/dbraw/zinc/71/71/61/1289717161.db2.gz QSWYAHAIQLJADM-UHFFFAOYSA-N 2 0 328.807 2.497 20 30 EEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914808 1296222264 /nfs/dbraw/zinc/22/22/64/1296222264.db2.gz YAIFZFJVVLEUIU-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218623791 1297738077 /nfs/dbraw/zinc/73/80/77/1297738077.db2.gz ICJRGQGRSTUNMJ-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725601 1297778405 /nfs/dbraw/zinc/77/84/05/1297778405.db2.gz YTVYJQFCSZTNBB-KRWDZBQOSA-N 2 0 345.491 2.411 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694127 1299797345 /nfs/dbraw/zinc/79/73/45/1299797345.db2.gz PBRGJEXOIKWJLX-QRVBRYPASA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224558470 1300647951 /nfs/dbraw/zinc/64/79/51/1300647951.db2.gz FFFRATQPYZLEFZ-LJQANCHMSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)[C@H](C)C1 ZINC001102285160 1300739158 /nfs/dbraw/zinc/73/91/58/1300739158.db2.gz CQWXYXHFVRXDAL-KBAYOESNSA-N 2 0 344.503 2.404 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524913 1301183519 /nfs/dbraw/zinc/18/35/19/1301183519.db2.gz CUSSIJXWDQYUDQ-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229388364 1302758500 /nfs/dbraw/zinc/75/85/00/1302758500.db2.gz DASSYQCFABZGKO-QZTJIDSGSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CCC[N@H+](CCCNC(=O)CCc1c[nH]cn1)Cc1cccnc1 ZINC001230778502 1303450334 /nfs/dbraw/zinc/45/03/34/1303450334.db2.gz QZOGTCKPTRHSHL-UHFFFAOYSA-N 2 0 341.459 2.322 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001104196038 1303637938 /nfs/dbraw/zinc/63/79/38/1303637938.db2.gz GYTUOBWFQBDFSS-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP N#Cc1cc(-c2ccc3c(C4C[NH2+]C4)ncn3c2)cc(C2C[NH2+]C2)c1 ZINC001240345888 1309308896 /nfs/dbraw/zinc/30/88/96/1309308896.db2.gz SKWCXHISJVBYQO-UHFFFAOYSA-N 2 0 329.407 2.247 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117712 1309920763 /nfs/dbraw/zinc/92/07/63/1309920763.db2.gz QTANJENPUCBOPT-YYIRHMBSSA-N 2 0 331.504 2.454 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001121288970 1309970046 /nfs/dbraw/zinc/97/00/46/1309970046.db2.gz MWXUVOSNSMQFPB-NQPFRDSSSA-N 2 0 329.488 2.044 20 30 EEEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4[C@H]5C[NH2+]C[C@H]5C[C@]4(C(=O)OC)C3)C[C@H](C1)C2 ZINC001246675730 1310377498 /nfs/dbraw/zinc/37/74/98/1310377498.db2.gz ZNRSUJNWBCGMSO-MADKRUHZSA-N 2 0 344.499 2.452 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3c(F)ccc(C#N)c3F)CC2)CC1 ZINC001143175612 1315880487 /nfs/dbraw/zinc/88/04/87/1315880487.db2.gz BVRJBDIZVXTEHM-UHFFFAOYSA-N 2 0 348.441 2.296 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150818046 1316384262 /nfs/dbraw/zinc/38/42/62/1316384262.db2.gz NFABLCBGQKARBG-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001153801922 1316886701 /nfs/dbraw/zinc/88/67/01/1316886701.db2.gz BWNUIORFZLFKRX-AEFFLSMTSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904471 1317377702 /nfs/dbraw/zinc/37/77/02/1317377702.db2.gz TVKOBJFLXAZSKE-CQSZACIVSA-N 2 0 336.505 2.288 20 30 EEEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1 ZINC001254509410 1318091164 /nfs/dbraw/zinc/09/11/64/1318091164.db2.gz GDGURXRDQDFEDV-KRWDZBQOSA-N 2 0 340.471 2.237 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160125420 1320075658 /nfs/dbraw/zinc/07/56/58/1320075658.db2.gz DSZRFKDXINMVBB-UHFFFAOYSA-N 2 0 331.504 2.413 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001160266361 1320116280 /nfs/dbraw/zinc/11/62/80/1320116280.db2.gz DMKVHNVIPPLCPL-KRWDZBQOSA-N 2 0 346.450 2.168 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001161041484 1320364607 /nfs/dbraw/zinc/36/46/07/1320364607.db2.gz JPNLWGZOJXTUCT-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166890193 1321810430 /nfs/dbraw/zinc/81/04/30/1321810430.db2.gz DWVLDHCOTQOBGD-UHFFFAOYSA-N 2 0 346.313 2.113 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203771422 1321957677 /nfs/dbraw/zinc/95/76/77/1321957677.db2.gz NOBSYLVCVUDUAP-MSOLQXFVSA-N 2 0 349.519 2.082 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001208454582 1324506915 /nfs/dbraw/zinc/50/69/15/1324506915.db2.gz YJOKYVCAXVFONV-SFHVURJKSA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001208527327 1324543691 /nfs/dbraw/zinc/54/36/91/1324543691.db2.gz LANGWEZVXZZNAU-ATZDWAIDSA-N 2 0 342.487 2.081 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209221290 1324861138 /nfs/dbraw/zinc/86/11/38/1324861138.db2.gz AKZUCEFCSKTKCH-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001209323474 1324901867 /nfs/dbraw/zinc/90/18/67/1324901867.db2.gz IPWUDEDFXQTRBV-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001209669128 1325004718 /nfs/dbraw/zinc/00/47/18/1325004718.db2.gz NIHDBFWGZBEJRU-OALUTQOASA-N 2 0 345.462 2.098 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210494748 1325308349 /nfs/dbraw/zinc/30/83/49/1325308349.db2.gz XFRIBTFUHDKQAO-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001491685774 1330205713 /nfs/dbraw/zinc/20/57/13/1330205713.db2.gz ZBNKXBHIHAIIBM-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502144763 1342193862 /nfs/dbraw/zinc/19/38/62/1342193862.db2.gz CDWYLDDCVXYUMW-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001567024034 1342682058 /nfs/dbraw/zinc/68/20/58/1342682058.db2.gz FPJVLYHWRFLCJG-QAPCUYQASA-N 2 0 349.906 2.372 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001185716395 1368163746 /nfs/dbraw/zinc/16/37/46/1368163746.db2.gz WFAKKRVYVMQFOB-AEFFLSMTSA-N 2 0 347.890 2.222 20 30 EEEDRP CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273716474 1368587642 /nfs/dbraw/zinc/58/76/42/1368587642.db2.gz MTGMQFXEHILPIA-GOSISDBHSA-N 2 0 348.466 2.222 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001103751543 1371059929 /nfs/dbraw/zinc/05/99/29/1371059929.db2.gz FHPVWMCKRYCGHA-QWFCFKBJSA-N 2 0 347.547 2.452 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001390067789 1388427404 /nfs/dbraw/zinc/42/74/04/1388427404.db2.gz VANGEAIVQCVJNB-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001375568070 1377854810 /nfs/dbraw/zinc/85/48/10/1377854810.db2.gz PBGZAVYIWRUEDY-HRCADAONSA-N 2 0 327.900 2.488 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001377513846 1379319513 /nfs/dbraw/zinc/31/95/13/1379319513.db2.gz SKRZZQDBNQPZIJ-YJBOKZPZSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001378275630 1379836495 /nfs/dbraw/zinc/83/64/95/1379836495.db2.gz SUDIASOOYIOTEU-CQSZACIVSA-N 2 0 346.500 2.233 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001379169104 1380611364 /nfs/dbraw/zinc/61/13/64/1380611364.db2.gz JCZHDWBXGHAAQJ-CVEARBPZSA-N 2 0 327.900 2.489 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC[NH+]1C ZINC001380960247 1381467118 /nfs/dbraw/zinc/46/71/18/1381467118.db2.gz FPEOXMZMBKJBQW-QGZVFWFLSA-N 2 0 348.516 2.384 20 30 EEEDRP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753232827 1406722578 /nfs/dbraw/zinc/72/25/78/1406722578.db2.gz NEWDQTSIGCZCHV-UHFFFAOYSA-N 2 0 330.476 2.084 20 30 EEEDRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001400856427 1396666823 /nfs/dbraw/zinc/66/68/23/1396666823.db2.gz TWCXSEJVCOCMOO-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccccc2C#N)CCCC1)[NH+](C)C ZINC001400957098 1396761508 /nfs/dbraw/zinc/76/15/08/1396761508.db2.gz NQQSSPADIZQJON-SFHVURJKSA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001402662255 1398134902 /nfs/dbraw/zinc/13/49/02/1398134902.db2.gz RHDXXFBAWQGHKI-LJQANCHMSA-N 2 0 344.503 2.425 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001423332138 1400528470 /nfs/dbraw/zinc/52/84/70/1400528470.db2.gz VNDYZAXHGZPCHX-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423650229 1400721484 /nfs/dbraw/zinc/72/14/84/1400721484.db2.gz ZDDKEIKLKCYZHJ-SFHVURJKSA-N 2 0 348.516 2.290 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204825 1407218028 /nfs/dbraw/zinc/21/80/28/1407218028.db2.gz NOVAZYWDXIGUKE-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205677 1407219238 /nfs/dbraw/zinc/21/92/38/1407219238.db2.gz WFPJFRPKPAWUHJ-UXHICEINSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574517800 1403522116 /nfs/dbraw/zinc/52/21/16/1403522116.db2.gz QIJYPFVJIHCEKF-YFVAEKQCSA-N 2 0 339.483 2.159 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750171 1407808899 /nfs/dbraw/zinc/80/88/99/1407808899.db2.gz SFJCWACJOULKJA-MJGOQNOKSA-N 2 0 331.504 2.172 20 30 EEEDRP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081432 1410519780 /nfs/dbraw/zinc/51/97/80/1410519780.db2.gz SIGUJGJNNMWPRG-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001100531834 1410663508 /nfs/dbraw/zinc/66/35/08/1410663508.db2.gz MOVCYYLUKPUAPD-UHFFFAOYSA-N 2 0 329.488 2.465 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001168023661 782293900 /nfs/dbraw/zinc/29/39/00/782293900.db2.gz ZIMKGCIOTMYARR-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030319 782401868 /nfs/dbraw/zinc/40/18/68/782401868.db2.gz NGTJNKNAASUULB-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104804139 765313141 /nfs/dbraw/zinc/31/31/41/765313141.db2.gz SOIQIAIYWYWCGW-QRVBRYPASA-N 2 0 335.536 2.450 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023110 782782956 /nfs/dbraw/zinc/78/29/56/782782956.db2.gz OWVRMDZLPAUFDP-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565705 770431423 /nfs/dbraw/zinc/43/14/23/770431423.db2.gz XGDZBBZLPMDTEW-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083035 773838972 /nfs/dbraw/zinc/83/89/72/773838972.db2.gz GWOJLFWAXUZKIM-YESZJQIVSA-N 2 0 336.439 2.106 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885977 774001197 /nfs/dbraw/zinc/00/11/97/774001197.db2.gz LVHPGQRBDNTFAL-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP [NH2+]=C(NCCc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738219 774211820 /nfs/dbraw/zinc/21/18/20/774211820.db2.gz RBDRSPFNVSPELL-UHFFFAOYSA-N 2 0 337.471 2.445 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)CCCCC1 ZINC001131794027 783227115 /nfs/dbraw/zinc/22/71/15/783227115.db2.gz IXPAATRCNNBHSG-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[NH+]1CCCC1 ZINC000980800266 775628621 /nfs/dbraw/zinc/62/86/21/775628621.db2.gz OOMNWSWIRNZGIM-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]Cc3ccsc3)C2)CC1 ZINC001091377419 790505358 /nfs/dbraw/zinc/50/53/58/790505358.db2.gz ISCZVICCSRARGS-UHFFFAOYSA-N 2 0 345.512 2.078 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C[C@@H](F)CC)C3)CC1 ZINC000982161898 779181188 /nfs/dbraw/zinc/18/11/88/779181188.db2.gz CIZHPXSUUKNXIY-SFHVURJKSA-N 2 0 349.494 2.004 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295724 779609802 /nfs/dbraw/zinc/60/98/02/779609802.db2.gz BSRPCNAONJPXAW-NRSPTQNISA-N 2 0 345.531 2.443 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000067120517 780742570 /nfs/dbraw/zinc/74/25/70/780742570.db2.gz RQIIHGBGXMSPDM-SFHVURJKSA-N 2 0 343.519 2.152 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135317302 783600708 /nfs/dbraw/zinc/60/07/08/783600708.db2.gz XKXBBWOZBVHTGQ-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391907 783687570 /nfs/dbraw/zinc/68/75/70/783687570.db2.gz WBWNZELLUSVSRC-QWHCGFSZSA-N 2 0 346.313 2.110 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001135389613 783708824 /nfs/dbraw/zinc/70/88/24/783708824.db2.gz BEGRGNUJNIWMAL-KBPBESRZSA-N 2 0 348.516 2.334 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035210620 784126066 /nfs/dbraw/zinc/12/60/66/784126066.db2.gz ARMNLNJVWFBKIW-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035213046 784133334 /nfs/dbraw/zinc/13/33/34/784133334.db2.gz DCRROGJOUYFAOW-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035778041 785162248 /nfs/dbraw/zinc/16/22/48/785162248.db2.gz XWJFQWPYKJBLBB-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996450292 786414026 /nfs/dbraw/zinc/41/40/26/786414026.db2.gz VEFZZARMPFFYNM-OAHLLOKOSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485376 787381452 /nfs/dbraw/zinc/38/14/52/787381452.db2.gz YGWODOOMHCOSEN-WSTZPKSXSA-N 2 0 331.504 2.408 20 30 EEEDRP CCOCCC[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912499160 788210862 /nfs/dbraw/zinc/21/08/62/788210862.db2.gz MVBMBOKGEDWGJU-INIZCTEOSA-N 2 0 326.529 2.477 20 30 EEEDRP C=CCN1CC[C@]2(CCCN(C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168378727 789145226 /nfs/dbraw/zinc/14/52/26/789145226.db2.gz RMLRMDGYNBNLQK-FQEVSTJZSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH2+]C)CC2)c(OC)c1 ZINC000923291454 789300436 /nfs/dbraw/zinc/30/04/36/789300436.db2.gz SPVCLAFHGFKSMT-GOSISDBHSA-N 2 0 348.487 2.095 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923390232 789476996 /nfs/dbraw/zinc/47/69/96/789476996.db2.gz URKHVGISFUERLB-MOPGFXCFSA-N 2 0 343.471 2.010 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161898 789575065 /nfs/dbraw/zinc/57/50/65/789575065.db2.gz RDRPXNGXBNZWMP-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997334933 789610486 /nfs/dbraw/zinc/61/04/86/789610486.db2.gz ZSBSZCCYOZXHHT-MJGOQNOKSA-N 2 0 333.520 2.489 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001146341443 791213572 /nfs/dbraw/zinc/21/35/72/791213572.db2.gz YJILAXZXVLVWOJ-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC=C)CC2)CC1 ZINC000997873455 791319637 /nfs/dbraw/zinc/31/96/37/791319637.db2.gz AITUFRBDJCUBOL-KRWDZBQOSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479201 792447485 /nfs/dbraw/zinc/44/74/85/792447485.db2.gz PGJMNHAWNITGIA-HXUWFJFHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956092 793097733 /nfs/dbraw/zinc/09/77/33/793097733.db2.gz DZIZYGBURXGTBL-HOTGVXAUSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191819 793155493 /nfs/dbraw/zinc/15/54/93/793155493.db2.gz SBRFWHKSVSFNML-AYOQOUSVSA-N 2 0 337.483 2.498 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCc3nccn3C)C[C@]2(C)C1 ZINC001091876002 793377394 /nfs/dbraw/zinc/37/73/94/793377394.db2.gz NBQPMNCAYHHCEN-APWZRJJASA-N 2 0 330.476 2.099 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992297637 793563247 /nfs/dbraw/zinc/56/32/47/793563247.db2.gz JQWOHYJMAUPVAG-CMKODMSKSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092187998 793650459 /nfs/dbraw/zinc/65/04/59/793650459.db2.gz KEEJNVQINAMYQC-CTNGQTDRSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C[C@H](C)CC)C[C@@]3(C)C2)CC1 ZINC001092300288 793777113 /nfs/dbraw/zinc/77/71/13/793777113.db2.gz USTISRAZKQYSGI-QFUCXCTJSA-N 2 0 345.531 2.158 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609641 794141488 /nfs/dbraw/zinc/14/14/88/794141488.db2.gz GRXCXHDUKMHODL-GUDVDZBRSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610200 794143096 /nfs/dbraw/zinc/14/30/96/794143096.db2.gz PIBJMPDJLOMIPB-CEXWTWQISA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079298995 794568886 /nfs/dbraw/zinc/56/88/86/794568886.db2.gz QWDSYWJLZYATEU-UHOSZYNNSA-N 2 0 345.462 2.236 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079318629 794574113 /nfs/dbraw/zinc/57/41/13/794574113.db2.gz POMCFUKLWHFITG-VDZJLULYSA-N 2 0 345.462 2.238 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@H]([NH+]3CC=CC3)C2)C12CCCC2 ZINC000152127250 794591491 /nfs/dbraw/zinc/59/14/91/794591491.db2.gz HHAYTVUKJXXGSM-OKZBNKHCSA-N 2 0 346.519 2.246 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384367 795128606 /nfs/dbraw/zinc/12/86/06/795128606.db2.gz XSNVDKDNMSZGQI-HXUWFJFHSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866946 795608910 /nfs/dbraw/zinc/60/89/10/795608910.db2.gz MWQFORTZTQSRBB-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797124 796604339 /nfs/dbraw/zinc/60/43/39/796604339.db2.gz JSSIJKNCCMXFQN-GDBMZVCRSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993619635 796845281 /nfs/dbraw/zinc/84/52/81/796845281.db2.gz HIJXKAOSUMYRCK-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP COCCC[NH+]1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001172247365 796940294 /nfs/dbraw/zinc/94/02/94/796940294.db2.gz IMBLAVSXDWJTAR-UHFFFAOYSA-N 2 0 331.460 2.418 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803912 797031542 /nfs/dbraw/zinc/03/15/42/797031542.db2.gz JVPSOQXACGGVCB-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401614 798384488 /nfs/dbraw/zinc/38/44/88/798384488.db2.gz VVHLPCZLMXRMJC-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563769 798497518 /nfs/dbraw/zinc/49/75/18/798497518.db2.gz HEDSNTIIGOZARL-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@@H](F)CC)CC1 ZINC001176739704 798543807 /nfs/dbraw/zinc/54/38/07/798543807.db2.gz YSDYFUZMSFVZQU-AEFFLSMTSA-N 2 0 339.499 2.344 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108050902 798636026 /nfs/dbraw/zinc/63/60/26/798636026.db2.gz BPZXRAAXDANTJR-IBGZPJMESA-N 2 0 342.443 2.121 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179134888 799794573 /nfs/dbraw/zinc/79/45/73/799794573.db2.gz VCFJMPSWYWDCJS-UHFFFAOYSA-N 2 0 329.488 2.304 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)ncc3C2)[C@H]1C ZINC001179539469 799982537 /nfs/dbraw/zinc/98/25/37/799982537.db2.gz YMFOAVZAEHIXNF-LESCRADOSA-N 2 0 330.476 2.299 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001179764280 800096057 /nfs/dbraw/zinc/09/60/57/800096057.db2.gz XQXWQBAGFBIISN-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181763219 800896236 /nfs/dbraw/zinc/89/62/36/800896236.db2.gz CSAQQGBWUUVSOG-SLYNCCJLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108206695 801118151 /nfs/dbraw/zinc/11/81/51/801118151.db2.gz HILKIIOGZJYVTK-MJGOQNOKSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001183291492 801549788 /nfs/dbraw/zinc/54/97/88/801549788.db2.gz SLHMBHHRJAOOOZ-OLMNPRSZSA-N 2 0 339.911 2.299 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001183561935 801645720 /nfs/dbraw/zinc/64/57/20/801645720.db2.gz CIVOTPOFCCZNAV-OXQOHEQNSA-N 2 0 345.487 2.442 20 30 EEEDRP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001151361521 801764068 /nfs/dbraw/zinc/76/40/68/801764068.db2.gz KJZCPXAFZJDEMS-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2=CCCCC2)CC1 ZINC001085986648 801840149 /nfs/dbraw/zinc/84/01/49/801840149.db2.gz KATXZCVTLWKZPR-HXUWFJFHSA-N 2 0 343.515 2.365 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184411607 802023766 /nfs/dbraw/zinc/02/37/66/802023766.db2.gz FLJAJNCTKFVDCB-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004460847 802131878 /nfs/dbraw/zinc/13/18/78/802131878.db2.gz XIZZISVKSBKRMA-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086106283 802191586 /nfs/dbraw/zinc/19/15/86/802191586.db2.gz BDDKMSBPXZGNMX-HRCADAONSA-N 2 0 327.900 2.201 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004525379 802295627 /nfs/dbraw/zinc/29/56/27/802295627.db2.gz GDVDKCWMSZRMLI-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004566007 802381560 /nfs/dbraw/zinc/38/15/60/802381560.db2.gz BLGFFAJHHHCPFD-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004569056 802388798 /nfs/dbraw/zinc/38/87/98/802388798.db2.gz OZDQPVGWSNIQFL-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185293547 802447128 /nfs/dbraw/zinc/44/71/28/802447128.db2.gz HKPXUCIMQQNZLK-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001086278400 802659535 /nfs/dbraw/zinc/65/95/35/802659535.db2.gz ULSUYQXDKGKXIF-UWUNEBHHSA-N 2 0 345.531 2.252 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801073 804526032 /nfs/dbraw/zinc/52/60/32/804526032.db2.gz RVIQSOJAXCJQCZ-XHSDSOJGSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001440373185 1093539796 /nfs/dbraw/zinc/53/97/96/1093539796.db2.gz XFVUMBBRJQHCHW-SNRMKQJTSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001448758511 1093830545 /nfs/dbraw/zinc/83/05/45/1093830545.db2.gz YHMAIPLWGCIIGB-CQSZACIVSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480379964 1100169635 /nfs/dbraw/zinc/16/96/35/1100169635.db2.gz NYSATULWVPSJHE-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1snc(Cl)c1C#N ZINC000092664893 218157937 /nfs/dbraw/zinc/15/79/37/218157937.db2.gz FGWXJVIYPROHAO-UHFFFAOYSA-N 2 0 329.901 2.378 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000491506144 533098052 /nfs/dbraw/zinc/09/80/52/533098052.db2.gz OMJYHGUTEGYKMB-UHFFFAOYSA-N 2 0 328.338 2.477 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000491750690 533163869 /nfs/dbraw/zinc/16/38/69/533163869.db2.gz WXSUFKAGQSZKEO-UHFFFAOYSA-N 2 0 347.890 2.281 20 30 EEEDRP COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C#N ZINC000180938976 533536872 /nfs/dbraw/zinc/53/68/72/533536872.db2.gz WRPVEKJGKXMBLK-UHFFFAOYSA-N 2 0 330.476 2.025 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000104181506 533551469 /nfs/dbraw/zinc/55/14/69/533551469.db2.gz IGXQTGVQTFBWNN-MRXNPFEDSA-N 2 0 348.491 2.229 20 30 EEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029157 320134656 /nfs/dbraw/zinc/13/46/56/320134656.db2.gz UWWZBAMZCIGQNW-HKUYNNGSSA-N 2 0 345.487 2.400 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000050025646 462984672 /nfs/dbraw/zinc/98/46/72/462984672.db2.gz HKURXAVPOOMAHE-UHFFFAOYSA-N 2 0 341.499 2.490 20 30 EEEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150752271 463420476 /nfs/dbraw/zinc/42/04/76/463420476.db2.gz KLTQAKLWDNYDCP-QGZVFWFLSA-N 2 0 326.444 2.305 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)CSCC[NH+](CC)CC)CC1 ZINC000073436939 463612322 /nfs/dbraw/zinc/61/23/22/463612322.db2.gz FNKWHXDZMDTGGS-UHFFFAOYSA-N 2 0 327.538 2.218 20 30 EEEDRP CC[NH+]=C(NCCc1ccncc1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261659895 463818927 /nfs/dbraw/zinc/81/89/27/463818927.db2.gz FUVPIFLUHMMNNW-GVDBMIGSSA-N 2 0 330.476 2.301 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000178903901 464009907 /nfs/dbraw/zinc/00/99/07/464009907.db2.gz XEFBANXVPBUABY-QGZVFWFLSA-N 2 0 336.524 2.304 20 30 EEEDRP C[NH+]=C(NC[C@H]1CCOc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000262760163 464045255 /nfs/dbraw/zinc/04/52/55/464045255.db2.gz CVHCZVNGYZIFKX-OAHLLOKOSA-N 2 0 342.487 2.345 20 30 EEEDRP C#CCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289554548 464084652 /nfs/dbraw/zinc/08/46/52/464084652.db2.gz XYLVPJBZRXXVRL-UHFFFAOYSA-N 2 0 329.488 2.156 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2F)C1 ZINC000290869352 464134974 /nfs/dbraw/zinc/13/49/74/464134974.db2.gz AUNAAFXONKRCAV-CVEARBPZSA-N 2 0 347.482 2.041 20 30 EEEDRP CN(C(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000272884296 464692973 /nfs/dbraw/zinc/69/29/73/464692973.db2.gz AHERIQWFIFSSJM-UHFFFAOYSA-N 2 0 344.503 2.467 20 30 EEEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC1CCCCC1 ZINC000267457884 464933889 /nfs/dbraw/zinc/93/38/89/464933889.db2.gz UAECPAKXGBFQQQ-UHFFFAOYSA-N 2 0 344.503 2.380 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000359218222 465387439 /nfs/dbraw/zinc/38/74/39/465387439.db2.gz DFJUPZCAVJOZQY-FUHWJXTLSA-N 2 0 334.508 2.221 20 30 EEEDRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330033563 465512214 /nfs/dbraw/zinc/51/22/14/465512214.db2.gz VQOGFLOWNNTYRP-BXUZGUMPSA-N 2 0 330.436 2.010 20 30 EEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330419517 465652115 /nfs/dbraw/zinc/65/21/15/465652115.db2.gz GACIKRVHGXBDRX-WBVHZDCISA-N 2 0 334.508 2.095 20 30 EEEDRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156785 466991496 /nfs/dbraw/zinc/99/14/96/466991496.db2.gz QCAFSFYDHGFWSP-CRAIPNDOSA-N 2 0 344.459 2.367 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516935158 468056979 /nfs/dbraw/zinc/05/69/79/468056979.db2.gz MGEGUFGXGKIQFE-QZTJIDSGSA-N 2 0 341.455 2.378 20 30 EEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000611392009 469239211 /nfs/dbraw/zinc/23/92/11/469239211.db2.gz IJPFZGFBKLJUSW-PKOBYXMFSA-N 2 0 340.471 2.113 20 30 EEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000611392000 469239764 /nfs/dbraw/zinc/23/97/64/469239764.db2.gz IJPFZGFBKLJUSW-HKUYNNGSSA-N 2 0 340.471 2.113 20 30 EEEDRP N#CC1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602499839 469340387 /nfs/dbraw/zinc/34/03/87/469340387.db2.gz UHGJZESWCOVDNH-UHFFFAOYSA-N 2 0 326.488 2.476 20 30 EEEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000602549208 469357444 /nfs/dbraw/zinc/35/74/44/469357444.db2.gz SWTIIWLNVWAVFX-QFBILLFUSA-N 2 0 342.487 2.413 20 30 EEEDRP C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426505 469392917 /nfs/dbraw/zinc/39/29/17/469392917.db2.gz AEMAOBCXELGSJN-FXAWDEMLSA-N 2 0 342.487 2.005 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654431582 471957250 /nfs/dbraw/zinc/95/72/50/471957250.db2.gz REEMBODPIBDICG-ZWKOTPCHSA-N 2 0 334.508 2.343 20 30 EEEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000088481620 526350682 /nfs/dbraw/zinc/35/06/82/526350682.db2.gz WNDUWKNSDWDLER-DLBZAZTESA-N 2 0 338.540 2.477 20 30 EEEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000264986555 535944999 /nfs/dbraw/zinc/94/49/99/535944999.db2.gz AEZDXEPBZRQXPQ-ZDUSSCGKSA-N 2 0 334.851 2.424 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204982 676091288 /nfs/dbraw/zinc/09/12/88/676091288.db2.gz JGOBMPMTXWITAH-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671658 676326918 /nfs/dbraw/zinc/32/69/18/676326918.db2.gz UWLLKQPNLMRTHQ-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740986 676399727 /nfs/dbraw/zinc/39/97/27/676399727.db2.gz XVFPGAZSTOOCHI-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262012633 677834720 /nfs/dbraw/zinc/83/47/20/677834720.db2.gz WZLGTELOIWXFAA-KSZLIROESA-N 2 0 346.523 2.216 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583852 679356723 /nfs/dbraw/zinc/35/67/23/679356723.db2.gz ZKLSFGPMGLFVKC-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000972689131 679606276 /nfs/dbraw/zinc/60/62/76/679606276.db2.gz SZGUWGWOVBOLGE-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001024159812 679828401 /nfs/dbraw/zinc/82/84/01/679828401.db2.gz LXIVWHXVWBYBOE-MOPGFXCFSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261229 682353706 /nfs/dbraw/zinc/35/37/06/682353706.db2.gz UHVANWJNNFAXCH-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029342466 684042871 /nfs/dbraw/zinc/04/28/71/684042871.db2.gz PYTBWBAVOFWZJF-ZCNNSNEGSA-N 2 0 343.515 2.340 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001026293039 684209657 /nfs/dbraw/zinc/20/96/57/684209657.db2.gz YQMWDDHIFORGNH-OKZBNKHCSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]12 ZINC001026427932 684632944 /nfs/dbraw/zinc/63/29/44/684632944.db2.gz WXEAQQADRVGISI-BHIYHBOVSA-N 2 0 327.472 2.374 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262405701 685788157 /nfs/dbraw/zinc/78/81/57/685788157.db2.gz OMHUUXHQYVESAO-XDNAFOTISA-N 2 0 348.535 2.326 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062892 686020375 /nfs/dbraw/zinc/02/03/75/686020375.db2.gz DJFXRUVGMNOOBJ-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594563 687280993 /nfs/dbraw/zinc/28/09/93/687280993.db2.gz XCJCLABYMNEXSR-LJQANCHMSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CCCC[C@H](N)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904626643 694439709 /nfs/dbraw/zinc/43/97/09/694439709.db2.gz NKJPWTVQZUFHHR-AWEZNQCLSA-N 2 0 331.420 2.428 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027461567 692202121 /nfs/dbraw/zinc/20/21/21/692202121.db2.gz NCDTVWBNPCNVCE-WMLDXEAASA-N 2 0 348.516 2.383 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413210 1186825968 /nfs/dbraw/zinc/82/59/68/1186825968.db2.gz ALISMKDOICLPCE-JKSUJKDBSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105561145 1188177493 /nfs/dbraw/zinc/17/74/93/1188177493.db2.gz IKLDPHZLGOXSJK-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046073 1195697626 /nfs/dbraw/zinc/69/76/26/1195697626.db2.gz PNIFWMOJNHLINK-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001034046988 1195699167 /nfs/dbraw/zinc/69/91/67/1195699167.db2.gz WYBOXENXYYYJAW-ROUUACIJSA-N 2 0 337.483 2.003 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000813764209 1199161764 /nfs/dbraw/zinc/16/17/64/1199161764.db2.gz MDKZXOXEMMHRHJ-UHFFFAOYSA-N 2 0 332.448 2.023 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406642 1199665254 /nfs/dbraw/zinc/66/52/54/1199665254.db2.gz LYNMQKKEVCPBMI-SJORKVTESA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+]1CCCCCC1 ZINC001134750241 1199791327 /nfs/dbraw/zinc/79/13/27/1199791327.db2.gz QLLCGTKFAGRXSW-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001133016002 1200314437 /nfs/dbraw/zinc/31/44/37/1200314437.db2.gz KKZVODQDNSBOGI-HKUYNNGSSA-N 2 0 341.499 2.112 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001133122967 1200477991 /nfs/dbraw/zinc/47/79/91/1200477991.db2.gz WRRZJISNGAYWSW-AZUAARDMSA-N 2 0 343.515 2.421 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)CC1 ZINC000870906157 1200944402 /nfs/dbraw/zinc/94/44/02/1200944402.db2.gz JLVYZDCHQADBOI-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP C=CCn1cc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)cn1 ZINC001275381322 1205330502 /nfs/dbraw/zinc/33/05/02/1205330502.db2.gz RIELWRYMZPBJML-MOPGFXCFSA-N 2 0 331.508 2.155 20 30 EEEDRP Cc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(C#N)c1 ZINC001275615944 1205445969 /nfs/dbraw/zinc/44/59/69/1205445969.db2.gz DAJXUHZCZCFKDR-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnco2)CC3)cc1C#N ZINC001276161953 1205806319 /nfs/dbraw/zinc/80/63/19/1205806319.db2.gz YDBLLSDRXWGPCQ-UHFFFAOYSA-N 2 0 339.443 2.373 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000778152225 1207715681 /nfs/dbraw/zinc/71/56/81/1207715681.db2.gz QJXGHUCIKAUDPP-UHFFFAOYSA-N 2 0 335.879 2.079 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000948040392 1208835776 /nfs/dbraw/zinc/83/57/76/1208835776.db2.gz PJCWTBHPTBTXSU-CABCVRRESA-N 2 0 346.500 2.185 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000948850384 1209415892 /nfs/dbraw/zinc/41/58/92/1209415892.db2.gz IVZFTDKEQHSBDI-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP CCN(CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1cccc(C)c1 ZINC000303786743 1213904554 /nfs/dbraw/zinc/90/45/54/1213904554.db2.gz RPBBBSOBSVUYNL-GOSISDBHSA-N 2 0 331.508 2.210 20 30 EEEDRP CCCC(=O)Nc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000303879975 1213917744 /nfs/dbraw/zinc/91/77/44/1213917744.db2.gz GVIGUXJRUJZHFI-QGZVFWFLSA-N 2 0 345.491 2.314 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733759 1225604745 /nfs/dbraw/zinc/60/47/45/1225604745.db2.gz WSDKXGNOWLJRJT-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP COc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(C#N)c1 ZINC001276314845 1215694731 /nfs/dbraw/zinc/69/47/31/1215694731.db2.gz PWJXGRKMGXVXGV-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959913304 1216224122 /nfs/dbraw/zinc/22/41/22/1216224122.db2.gz MJCAEXSDWNWZQI-GDAAHCPNSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199641 1217084888 /nfs/dbraw/zinc/08/48/88/1217084888.db2.gz LARFNRJVJBQIJD-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293309 1217132296 /nfs/dbraw/zinc/13/22/96/1217132296.db2.gz NVVGZEOERYYBQG-WOJBJXKFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961372434 1217162477 /nfs/dbraw/zinc/16/24/77/1217162477.db2.gz DLYXHZIOQHTAGM-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432787 1217187982 /nfs/dbraw/zinc/18/79/82/1217187982.db2.gz SHKOFLWEPKPNTB-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680642 1221487016 /nfs/dbraw/zinc/48/70/16/1221487016.db2.gz CEJBLVXSVMGUPZ-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007520233 1222274495 /nfs/dbraw/zinc/27/44/95/1222274495.db2.gz ZLGNLMSZVXZGFI-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204828 1230431839 /nfs/dbraw/zinc/43/18/39/1230431839.db2.gz FFQRVCNUASIYMC-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040272906 1231144258 /nfs/dbraw/zinc/14/42/58/1231144258.db2.gz ACIUHBUVTBJLLV-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277017 1231148349 /nfs/dbraw/zinc/14/83/49/1231148349.db2.gz TUNOWPNAFGUTOO-FQEVSTJZSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC)C3)CC1 ZINC001040542426 1231284027 /nfs/dbraw/zinc/28/40/27/1231284027.db2.gz IFWDWMSZJNGIHU-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356829 1231518007 /nfs/dbraw/zinc/51/80/07/1231518007.db2.gz BMCXJQMKXFSKRU-RDJZCZTQSA-N 2 0 325.884 2.004 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369345 1232051088 /nfs/dbraw/zinc/05/10/88/1232051088.db2.gz WTSXGJRNHPKZIG-LPHOPBHVSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)CC1 ZINC001044336128 1232880187 /nfs/dbraw/zinc/88/01/87/1232880187.db2.gz YHKXPOGZPASOKY-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857385 1233319952 /nfs/dbraw/zinc/31/99/52/1233319952.db2.gz IXDIOHBLBGUQDL-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001045070628 1233483671 /nfs/dbraw/zinc/48/36/71/1233483671.db2.gz OKHHZBDXJBGJNI-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045092846 1233497435 /nfs/dbraw/zinc/49/74/35/1233497435.db2.gz GUNUMWNQJYDBET-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001045385385 1233710841 /nfs/dbraw/zinc/71/08/41/1233710841.db2.gz MTWJOUVMUYAWQK-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C[C@@H](F)CC)CC2)CC1 ZINC001045647094 1233880756 /nfs/dbraw/zinc/88/07/56/1233880756.db2.gz QZMQRKLIDJCOBI-KRWDZBQOSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045947594 1234209894 /nfs/dbraw/zinc/20/98/94/1234209894.db2.gz MVVGBCQIZYDDGK-FQEVSTJZSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985810 1234281374 /nfs/dbraw/zinc/28/13/74/1234281374.db2.gz CRBICHQOAHCSMM-HXUWFJFHSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986673 1234282614 /nfs/dbraw/zinc/28/26/14/1234282614.db2.gz XZKQNZOSVNWMRT-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317949 1234662751 /nfs/dbraw/zinc/66/27/51/1234662751.db2.gz JITSMIYMQUCQPO-YLJYHZDGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048530893 1237886350 /nfs/dbraw/zinc/88/63/50/1237886350.db2.gz DLFCZEHDGLAIPR-ACHSLPGTSA-N 2 0 345.512 2.416 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188645 1240043704 /nfs/dbraw/zinc/04/37/04/1240043704.db2.gz BRYGJKZNYXCBAX-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560553 1241419684 /nfs/dbraw/zinc/41/96/84/1241419684.db2.gz FCIKVOPRBVUELV-OALUTQOASA-N 2 0 336.439 2.345 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001073627262 1242589268 /nfs/dbraw/zinc/58/92/68/1242589268.db2.gz KWMXMPMFOXKPOB-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC=C(C)C)CC1 ZINC001049909344 1242655678 /nfs/dbraw/zinc/65/56/78/1242655678.db2.gz ADXJDIKONQSRJC-PMACEKPBSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC2CCC2)CC1 ZINC001049909417 1242656768 /nfs/dbraw/zinc/65/67/68/1242656768.db2.gz AXGQHWLZONKQLV-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001050700192 1244155425 /nfs/dbraw/zinc/15/54/25/1244155425.db2.gz BLEFXFUCLCYMEN-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051300570 1245500304 /nfs/dbraw/zinc/50/03/04/1245500304.db2.gz XFXNGTCKNUIGKA-KXBFYZLASA-N 2 0 327.472 2.045 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101574880 1245979018 /nfs/dbraw/zinc/97/90/18/1245979018.db2.gz HZUDLEVCUDDQNW-SJLPKXTDSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001101596157 1246004549 /nfs/dbraw/zinc/00/45/49/1246004549.db2.gz LJZUTLJWISZJGS-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209331 1247723238 /nfs/dbraw/zinc/72/32/38/1247723238.db2.gz OWEZMUCRVFPEFH-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001072983390 1255546610 /nfs/dbraw/zinc/54/66/10/1255546610.db2.gz UZBJCKMESYJJRQ-IBGZPJMESA-N 2 0 337.483 2.309 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191549 1257619704 /nfs/dbraw/zinc/61/97/04/1257619704.db2.gz JWSOUOGTFJIDEP-YRXWBPOGSA-N 2 0 331.504 2.386 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519448 1258188501 /nfs/dbraw/zinc/18/85/01/1258188501.db2.gz HXPFNUZRZNCCAP-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099551794 1258200586 /nfs/dbraw/zinc/20/05/86/1258200586.db2.gz DEPOBXAGELOONT-NXOAAHMSSA-N 2 0 339.911 2.250 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001100769279 1259238659 /nfs/dbraw/zinc/23/86/59/1259238659.db2.gz BQMVQAFSVSHKKB-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783671 1278780446 /nfs/dbraw/zinc/78/04/46/1278780446.db2.gz AULGTSWLAAUFHM-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483572 1280631984 /nfs/dbraw/zinc/63/19/84/1280631984.db2.gz JAILMWGWQSVNMQ-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739925 1281405833 /nfs/dbraw/zinc/40/58/33/1281405833.db2.gz LOFMCSRJOAVKHM-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001193601113 1282630617 /nfs/dbraw/zinc/63/06/17/1282630617.db2.gz SIGSJUPFOIERGD-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001197886010 1284869589 /nfs/dbraw/zinc/86/95/89/1284869589.db2.gz NPRXVBWZZQYEFX-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198776156 1285354969 /nfs/dbraw/zinc/35/49/69/1285354969.db2.gz OCJHXODKVFEJOD-INIZCTEOSA-N 2 0 333.476 2.358 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558270 1289665749 /nfs/dbraw/zinc/66/57/49/1289665749.db2.gz NGOQLIMJVWXWLS-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001490598078 1291501145 /nfs/dbraw/zinc/50/11/45/1291501145.db2.gz FNRTYORUEYUAEA-AWEZNQCLSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073455498 1297082807 /nfs/dbraw/zinc/08/28/07/1297082807.db2.gz JIJZQADHOHKOAI-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821519 1297572442 /nfs/dbraw/zinc/57/24/42/1297572442.db2.gz LOOVSAWKSXZRGE-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001221034005 1298629650 /nfs/dbraw/zinc/62/96/50/1298629650.db2.gz LQFMCYOCPSRHQK-HKUYNNGSSA-N 2 0 331.435 2.291 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463534 1298797467 /nfs/dbraw/zinc/79/74/67/1298797467.db2.gz WZJHTMSHJBMXSQ-YRXWBPOGSA-N 2 0 331.504 2.242 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099521453 1299180618 /nfs/dbraw/zinc/18/06/18/1299180618.db2.gz RINTYYXTBIGHNK-XSLAGTTESA-N 2 0 331.504 2.073 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001102087417 1300273370 /nfs/dbraw/zinc/27/33/70/1300273370.db2.gz YPNBDXKDYLZOCK-MISYRCLQSA-N 2 0 341.499 2.062 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143313 1300912763 /nfs/dbraw/zinc/91/27/63/1300912763.db2.gz WYAHVAFEHZRJEP-FQEVSTJZSA-N 2 0 329.488 2.478 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001228366548 1302226995 /nfs/dbraw/zinc/22/69/95/1302226995.db2.gz RVWFZZPBJGFOSE-QZTJIDSGSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229807148 1302952381 /nfs/dbraw/zinc/95/23/81/1302952381.db2.gz QJSPTQMZIFQWOO-MRXNPFEDSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001230284852 1303141512 /nfs/dbraw/zinc/14/15/12/1303141512.db2.gz XDEOIHSXHVNDAR-RTBURBONSA-N 2 0 342.487 2.415 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230288760 1303143775 /nfs/dbraw/zinc/14/37/75/1303143775.db2.gz XCUIWFAICJPDKP-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767045 1303442927 /nfs/dbraw/zinc/44/29/27/1303442927.db2.gz NBBRFGBOXKQHHD-IEBWSBKVSA-N 2 0 344.503 2.306 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794698 1303897325 /nfs/dbraw/zinc/89/73/25/1303897325.db2.gz FSQKIDDVPMWPIU-LPHOPBHVSA-N 2 0 328.460 2.065 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190027 1304310876 /nfs/dbraw/zinc/31/08/76/1304310876.db2.gz HQFDBZVNJPRQBS-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001149818212 1316055782 /nfs/dbraw/zinc/05/57/82/1316055782.db2.gz QLAPEZIYFQVZOE-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC001152334639 1316657985 /nfs/dbraw/zinc/65/79/85/1316657985.db2.gz LUTYNKNHFRWYTJ-AWEZNQCLSA-N 2 0 349.425 2.077 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cccc3ccccc32)CC1 ZINC001152335089 1316658081 /nfs/dbraw/zinc/65/80/81/1316658081.db2.gz ZUSSEZPBAFKQKF-UHFFFAOYSA-N 2 0 349.478 2.391 20 30 EEEDRP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154784880 1317310043 /nfs/dbraw/zinc/31/00/43/1317310043.db2.gz OCXKTTMQAXBDJT-QZTJIDSGSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001252495338 1317616504 /nfs/dbraw/zinc/61/65/04/1317616504.db2.gz MFGLTGXHRKEVSU-GOSISDBHSA-N 2 0 336.451 2.191 20 30 EEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067233 1318993133 /nfs/dbraw/zinc/99/31/33/1318993133.db2.gz YCXVSFMQBMXJON-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCC)CC1 ZINC001158913802 1319504557 /nfs/dbraw/zinc/50/45/57/1319504557.db2.gz DQZGKQCDZDOGPH-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001159837411 1320002074 /nfs/dbraw/zinc/00/20/74/1320002074.db2.gz CVPYCGFNFOHEDC-IBGZPJMESA-N 2 0 342.487 2.132 20 30 EEEDRP N#Cc1cc(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc(C2C[NH2+]C2)c1 ZINC001160394219 1320153315 /nfs/dbraw/zinc/15/33/15/1320153315.db2.gz GBNUSMWACWAWNI-QFBILLFUSA-N 2 0 332.407 2.436 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001162832237 1320970334 /nfs/dbraw/zinc/97/03/34/1320970334.db2.gz LWJGLWASJYCVRS-HXUWFJFHSA-N 2 0 341.499 2.011 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001166971943 1321828733 /nfs/dbraw/zinc/82/87/33/1321828733.db2.gz SFLCYFHEPSGPGL-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206079360 1323388413 /nfs/dbraw/zinc/38/84/13/1323388413.db2.gz CXNZDVOZCGVSFV-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100459939 1338396742 /nfs/dbraw/zinc/39/67/42/1338396742.db2.gz GUCYXGBUQWMBBJ-UHFFFAOYSA-N 2 0 342.487 2.273 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001367518842 1374193642 /nfs/dbraw/zinc/19/36/42/1374193642.db2.gz OLHWNMFNYMYJJE-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001375519118 1377809533 /nfs/dbraw/zinc/80/95/33/1377809533.db2.gz PATWQXIJSWXGCZ-UWWQBHOKSA-N 2 0 346.450 2.022 20 30 EEEDRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001378257347 1379826440 /nfs/dbraw/zinc/82/64/40/1379826440.db2.gz UAJXVWZKJOQGSW-MRXNPFEDSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001378789291 1380176160 /nfs/dbraw/zinc/17/61/60/1380176160.db2.gz LZZOQFJXNZMSTG-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001378895451 1380245322 /nfs/dbraw/zinc/24/53/22/1380245322.db2.gz IQFMQORTNSHKPP-TZMCWYRMSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379416133 1380702069 /nfs/dbraw/zinc/70/20/69/1380702069.db2.gz KATNABMVILVFEI-CQSZACIVSA-N 2 0 348.466 2.270 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358826 1382085633 /nfs/dbraw/zinc/08/56/33/1382085633.db2.gz URIJCOMIVUPHLG-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001752855302 1406490869 /nfs/dbraw/zinc/49/08/69/1406490869.db2.gz REUFQEQJMLNTDJ-UHFFFAOYSA-N 2 0 327.472 2.402 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001752962925 1406584210 /nfs/dbraw/zinc/58/42/10/1406584210.db2.gz JFIXAYCYMWMTPR-GOSISDBHSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001398755950 1394176012 /nfs/dbraw/zinc/17/60/12/1394176012.db2.gz ZEGBHDJQMZKLDB-INIZCTEOSA-N 2 0 327.900 2.299 20 30 EEEDRP N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC001580081332 1403821126 /nfs/dbraw/zinc/82/11/26/1403821126.db2.gz CWTYDSOBPZKPEE-UHFFFAOYSA-N 2 0 343.475 2.325 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755516993 1407572181 /nfs/dbraw/zinc/57/21/81/1407572181.db2.gz RAPIURWZJKIMON-IRXDYDNUSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051601 1410026472 /nfs/dbraw/zinc/02/64/72/1410026472.db2.gz QZAZQMHHICPAQW-ROUUACIJSA-N 2 0 345.487 2.202 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845131 782361772 /nfs/dbraw/zinc/36/17/72/782361772.db2.gz IIDSCRXJKJYFQK-DLBZAZTESA-N 2 0 331.460 2.337 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030316 782401047 /nfs/dbraw/zinc/40/10/47/782401047.db2.gz NGTJNKNAASUULB-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240187 757553662 /nfs/dbraw/zinc/55/36/62/757553662.db2.gz DYOCMJHFHPHZDK-UHFFFAOYSA-N 2 0 339.524 2.043 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454327 760712219 /nfs/dbraw/zinc/71/22/19/760712219.db2.gz QSBKCWBXLMHLDT-IEBWSBKVSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530882 782633138 /nfs/dbraw/zinc/63/31/38/782633138.db2.gz XTNCBJMLOHRCRV-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088130143 782951273 /nfs/dbraw/zinc/95/12/73/782951273.db2.gz YCYLQZLDWMZEJH-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776891 783129082 /nfs/dbraw/zinc/12/90/82/783129082.db2.gz WIBCONILCFCTQU-HDICACEKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC000980248976 774160156 /nfs/dbraw/zinc/16/01/56/774160156.db2.gz XGYHEMFSFHSPKZ-SLFFLAALSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851642 778035873 /nfs/dbraw/zinc/03/58/73/778035873.db2.gz XMPUDLYCDGKWTJ-RDGPPVDQSA-N 2 0 331.504 2.073 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052212 778998523 /nfs/dbraw/zinc/99/85/23/778998523.db2.gz DKFDBXKAWRSYKS-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860219 790871510 /nfs/dbraw/zinc/87/15/10/790871510.db2.gz ADIDCTHAUGJHIF-RVKKMQEKSA-N 2 0 325.472 2.354 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135317300 783600772 /nfs/dbraw/zinc/60/07/72/783600772.db2.gz XKXBBWOZBVHTGQ-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001035051963 783658360 /nfs/dbraw/zinc/65/83/60/783658360.db2.gz VCKSPKIKNGSVRO-HUUCEWRRSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574987 783887917 /nfs/dbraw/zinc/88/79/17/783887917.db2.gz NLYBNOCOKZPHMV-RTBURBONSA-N 2 0 333.520 2.443 20 30 EEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000185865948 783964018 /nfs/dbraw/zinc/96/40/18/783964018.db2.gz ZWXMMXRFPYNFII-SJORKVTESA-N 2 0 330.476 2.093 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192533 784079722 /nfs/dbraw/zinc/07/97/22/784079722.db2.gz LQXCVFBCQKSNJY-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237835 784157665 /nfs/dbraw/zinc/15/76/65/784157665.db2.gz WVKRFUGBNQUGBD-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256568 784205720 /nfs/dbraw/zinc/20/57/20/784205720.db2.gz ITOXNUSWPUPEGF-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742968 784351518 /nfs/dbraw/zinc/35/15/18/784351518.db2.gz BNQPCWZAKDSMHI-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995802906 785691523 /nfs/dbraw/zinc/69/15/23/785691523.db2.gz PNEYACHHADDRNB-GJZGRUSLSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001036306317 786216818 /nfs/dbraw/zinc/21/68/18/786216818.db2.gz WUDPOJKXQRFNKD-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996667147 787030231 /nfs/dbraw/zinc/03/02/31/787030231.db2.gz UDBIKQCWMFGHFD-OAHLLOKOSA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996727082 787313901 /nfs/dbraw/zinc/31/39/01/787313901.db2.gz CTEGFKXYYAPGFD-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911735086 787670229 /nfs/dbraw/zinc/67/02/29/787670229.db2.gz DUNFKURTUOHNKA-QGZVFWFLSA-N 2 0 345.443 2.218 20 30 EEEDRP CC(C)(C)[NH+]=C(NCc1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000912499555 788210771 /nfs/dbraw/zinc/21/07/71/788210771.db2.gz QVSRWLOARZUUOX-QZTJIDSGSA-N 2 0 344.503 2.384 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996993249 788376989 /nfs/dbraw/zinc/37/69/89/788376989.db2.gz CAGQFMAVBVEGBG-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991474953 789023310 /nfs/dbraw/zinc/02/33/10/789023310.db2.gz ROFDSONWANNFGE-UYAOXDASSA-N 2 0 336.439 2.393 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cncc(C#N)c1 ZINC001144083560 789222727 /nfs/dbraw/zinc/22/27/27/789222727.db2.gz KFRRYLKFPUUNDI-UHFFFAOYSA-N 2 0 331.508 2.439 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997188158 789386958 /nfs/dbraw/zinc/38/69/58/789386958.db2.gz YTIWSCRVZZQKHU-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000923382855 789466293 /nfs/dbraw/zinc/46/62/93/789466293.db2.gz SHYPCYAOPITLMQ-BRWVUGGUSA-N 2 0 334.460 2.023 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCCCCC)C3)CC1 ZINC001148827877 792703780 /nfs/dbraw/zinc/70/37/80/792703780.db2.gz PPXOYKAJVSDIAP-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156446 792953498 /nfs/dbraw/zinc/95/34/98/792953498.db2.gz WGCWGPJPZUTVSB-DOTOQJQBSA-N 2 0 325.884 2.194 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939409 793764354 /nfs/dbraw/zinc/76/43/54/793764354.db2.gz PCUGHSVBBJKMQU-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992512494 794463946 /nfs/dbraw/zinc/46/39/46/794463946.db2.gz STRVBZQAWXECJM-AZUAARDMSA-N 2 0 325.456 2.108 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533314 806351040 /nfs/dbraw/zinc/35/10/40/806351040.db2.gz GAQABJVSTLVGHZ-YHUYYLMFSA-N 2 0 327.900 2.344 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001093400499 795179052 /nfs/dbraw/zinc/17/90/52/795179052.db2.gz ZCCZOVAWINRDPE-TVRKMHQQSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841661 795423175 /nfs/dbraw/zinc/42/31/75/795423175.db2.gz BIHQQERADVXJNG-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108006821 795485193 /nfs/dbraw/zinc/48/51/93/795485193.db2.gz DROLMNMANGLNON-HKUYNNGSSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001112378746 795922218 /nfs/dbraw/zinc/92/22/18/795922218.db2.gz BMVFXDSXFLSROL-SCTDSRPQSA-N 2 0 339.499 2.461 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380060 796188943 /nfs/dbraw/zinc/18/89/43/796188943.db2.gz KXVBOHIUAAUSLZ-BFYDXBDKSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C/C=C/Cl)C2)CC1 ZINC001036904548 796447630 /nfs/dbraw/zinc/44/76/30/796447630.db2.gz UAUWWYGGPOHBJX-IINIBRLJSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081158730 796666618 /nfs/dbraw/zinc/66/66/18/796666618.db2.gz WYVZYUMSLAWTOR-RBUKOAKNSA-N 2 0 339.483 2.078 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799574 796912306 /nfs/dbraw/zinc/91/23/06/796912306.db2.gz VWFMWMLTDKPQJV-RCCFBDPRSA-N 2 0 337.508 2.031 20 30 EEEDRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](C)CCCC#N)CCC2 ZINC001172493765 797005557 /nfs/dbraw/zinc/00/55/57/797005557.db2.gz CQFXASMPZRWGIG-INIZCTEOSA-N 2 0 345.491 2.372 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819773 797025632 /nfs/dbraw/zinc/02/56/32/797025632.db2.gz RKKILXZFMQMHAN-SJORKVTESA-N 2 0 349.906 2.101 20 30 EEEDRP CC[NH+](CC)C1CCC([NH+]2CCN(c3nccnc3C#N)CC2)CC1 ZINC001173115163 797234700 /nfs/dbraw/zinc/23/47/00/797234700.db2.gz XGSZHBKAUKKTAB-UHFFFAOYSA-N 2 0 342.491 2.123 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099284521 797401717 /nfs/dbraw/zinc/40/17/17/797401717.db2.gz DWJKEVRAZKRLFS-RBSFLKMASA-N 2 0 345.409 2.026 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501175 798107015 /nfs/dbraw/zinc/10/70/15/798107015.db2.gz SEPPHIMQSKNYNR-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453041 798370280 /nfs/dbraw/zinc/37/02/80/798370280.db2.gz OXQYJFAFDDTGEN-RCCFBDPRSA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001176572536 798501228 /nfs/dbraw/zinc/50/12/28/798501228.db2.gz ASWWXOBCTAHIFS-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001176931268 798634811 /nfs/dbraw/zinc/63/48/11/798634811.db2.gz YBYDFRVSLZJTJS-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176986408 798675025 /nfs/dbraw/zinc/67/50/25/798675025.db2.gz NHEMPWDKYJXDOX-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP CN(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001177016316 798696457 /nfs/dbraw/zinc/69/64/57/798696457.db2.gz JHMRPLVJFWZACF-NRFANRHFSA-N 2 0 349.478 2.437 20 30 EEEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)COCC[NH+](C)C ZINC001177463281 798950197 /nfs/dbraw/zinc/95/01/97/798950197.db2.gz XGFGPPIFEBBQOF-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179498700 799964585 /nfs/dbraw/zinc/96/45/85/799964585.db2.gz DMCSLBWHRSAXHT-QGZVFWFLSA-N 2 0 327.513 2.041 20 30 EEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001180256951 800335864 /nfs/dbraw/zinc/33/58/64/800335864.db2.gz FFDDFQMCLRRGMW-RDJZCZTQSA-N 2 0 331.460 2.337 20 30 EEEDRP O=C(C[NH+]1CCCC1)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180274606 800344591 /nfs/dbraw/zinc/34/45/91/800344591.db2.gz MRWWXJCYPZKACK-UHFFFAOYSA-N 2 0 341.499 2.400 20 30 EEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001180284683 800357737 /nfs/dbraw/zinc/35/77/37/800357737.db2.gz RWOJRKNUZPNBLL-RDJZCZTQSA-N 2 0 331.460 2.337 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609043 802095374 /nfs/dbraw/zinc/09/53/74/802095374.db2.gz IRBRDDYONKNWEJ-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108074089 802145160 /nfs/dbraw/zinc/14/51/60/802145160.db2.gz BLZCGQAQFWMJOW-IBGZPJMESA-N 2 0 342.443 2.121 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119356 802215774 /nfs/dbraw/zinc/21/57/74/802215774.db2.gz KPGCEONHOMRXFX-QXSJWSMHSA-N 2 0 325.884 2.240 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623877 802291626 /nfs/dbraw/zinc/29/16/26/802291626.db2.gz RTFPMAAPSYQNMD-IXDOHACOSA-N 2 0 339.911 2.250 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109359285 805358172 /nfs/dbraw/zinc/35/81/72/805358172.db2.gz FPGVLXJGHCAMKZ-NCOADZHNSA-N 2 0 325.472 2.354 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130710757 811958771 /nfs/dbraw/zinc/95/87/71/811958771.db2.gz CYQIMWJSGZIYKH-IBGZPJMESA-N 2 0 345.462 2.003 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)[NH+](C)C ZINC001436830864 1088441414 /nfs/dbraw/zinc/44/14/14/1088441414.db2.gz AMSIRKRBXASAFA-OALUTQOASA-N 2 0 342.487 2.129 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)C1 ZINC001440339832 1093486903 /nfs/dbraw/zinc/48/69/03/1093486903.db2.gz NZBAZDYIRKJUTL-CQSZACIVSA-N 2 0 346.500 2.090 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001440599682 1093864542 /nfs/dbraw/zinc/86/45/42/1093864542.db2.gz QEPHBBJTPDYSSF-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001448986889 1093989260 /nfs/dbraw/zinc/98/92/60/1093989260.db2.gz XFAGSTGEXYHLFQ-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001480561911 1100403595 /nfs/dbraw/zinc/40/35/95/1100403595.db2.gz LIYHPFONIVQSLC-CQSZACIVSA-N 2 0 348.516 2.334 20 30 EEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001495495226 1101204500 /nfs/dbraw/zinc/20/45/00/1101204500.db2.gz LZMUBJHONCSBJB-CQSZACIVSA-N 2 0 335.879 2.487 20 30 EEEDRP CC1CC[NH+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)CC1 ZINC001499398219 1112266643 /nfs/dbraw/zinc/26/66/43/1112266643.db2.gz KMGAQUHKHVPZEE-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000424153168 240853244 /nfs/dbraw/zinc/85/32/44/240853244.db2.gz JPVHTWPBCHHRKJ-QGZVFWFLSA-N 2 0 346.500 2.238 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)[C@H]1CC ZINC001087630533 781976401 /nfs/dbraw/zinc/97/64/01/781976401.db2.gz NIEVXBRFPFQLQE-UWWQBHOKSA-N 2 0 330.476 2.368 20 30 EEEDRP CNC(=O)[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000328596905 258042340 /nfs/dbraw/zinc/04/23/40/258042340.db2.gz BKVCUBRSJKVDNQ-GOSISDBHSA-N 2 0 331.460 2.460 20 30 EEEDRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)CC1 ZINC000424148112 277340701 /nfs/dbraw/zinc/34/07/01/277340701.db2.gz TYPOASTXSRBKGP-ABHNRTSZSA-N 2 0 334.508 2.367 20 30 EEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000554637355 318570231 /nfs/dbraw/zinc/57/02/31/318570231.db2.gz OXJZSTRHNSOLLH-IBGZPJMESA-N 2 0 339.439 2.149 20 30 EEEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000095948320 463113342 /nfs/dbraw/zinc/11/33/42/463113342.db2.gz KYVDRPDOJVXFKS-HOTGVXAUSA-N 2 0 332.492 2.452 20 30 EEEDRP COc1ccc(C[NH+]2CCC(C[NH+]=C(N(C)C)N(C)C)CC2)cc1 ZINC000261999205 463921223 /nfs/dbraw/zinc/92/12/23/463921223.db2.gz OXNNMAPXWIAOCM-UHFFFAOYSA-N 2 0 332.492 2.386 20 30 EEEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCOc2ccccc21 ZINC000262849908 464049654 /nfs/dbraw/zinc/04/96/54/464049654.db2.gz SFVZUOFWJHMAAU-WBVHZDCISA-N 2 0 328.460 2.431 20 30 EEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263798770 464196572 /nfs/dbraw/zinc/19/65/72/464196572.db2.gz ZZCXCRCCISCPSL-QZTJIDSGSA-N 2 0 349.519 2.008 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000264444740 464328669 /nfs/dbraw/zinc/32/86/69/464328669.db2.gz XGLAJTADZKDODT-GOSISDBHSA-N 2 0 348.466 2.378 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000181338855 464474993 /nfs/dbraw/zinc/47/49/93/464474993.db2.gz WCTWUYIOHVBDLH-QGZVFWFLSA-N 2 0 344.503 2.457 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677267 464520604 /nfs/dbraw/zinc/52/06/04/464520604.db2.gz IEXSWCFECOXICN-FUHWJXTLSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(F)(F)F)cs1 ZINC000267391218 464930333 /nfs/dbraw/zinc/93/03/33/464930333.db2.gz CVONZUXVLAWVTB-VIFPVBQESA-N 2 0 335.399 2.051 20 30 EEEDRP C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000357450578 466049138 /nfs/dbraw/zinc/04/91/38/466049138.db2.gz FGUXUWPRXVKJBO-AWEZNQCLSA-N 2 0 343.431 2.071 20 30 EEEDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000591570847 468484562 /nfs/dbraw/zinc/48/45/62/468484562.db2.gz WHJOOCREEONNNP-CYBMUJFWSA-N 2 0 333.407 2.108 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])C(C)C ZINC000417068572 466770181 /nfs/dbraw/zinc/77/01/81/466770181.db2.gz SLAJJLWIDHVPAK-OKZBNKHCSA-N 2 0 336.524 2.454 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424152071 466991579 /nfs/dbraw/zinc/99/15/79/466991579.db2.gz IBKZRIQVUNICJG-NXHRZFHOSA-N 2 0 328.460 2.177 20 30 EEEDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[NH+]1CCCCC1 ZINC000591760400 468516428 /nfs/dbraw/zinc/51/64/28/468516428.db2.gz AFBOMAZVAIWZMX-PKOBYXMFSA-N 2 0 345.487 2.346 20 30 EEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600718259 468632274 /nfs/dbraw/zinc/63/22/74/468632274.db2.gz WOHDEMLWXMSEHG-PKOBYXMFSA-N 2 0 345.487 2.400 20 30 EEEDRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccccc1 ZINC000592135151 468633167 /nfs/dbraw/zinc/63/31/67/468633167.db2.gz DOCNYVSLHJZJOH-IBGZPJMESA-N 2 0 342.487 2.421 20 30 EEEDRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000596652341 469322221 /nfs/dbraw/zinc/32/22/21/469322221.db2.gz SLLFTOMNRXSRPJ-HNNXBMFYSA-N 2 0 329.444 2.012 20 30 EEEDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602511377 469344627 /nfs/dbraw/zinc/34/46/27/469344627.db2.gz QVWMZNAXTHABTQ-SFHVURJKSA-N 2 0 336.524 2.093 20 30 EEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000602530170 469351914 /nfs/dbraw/zinc/35/19/14/469351914.db2.gz DZUWCCITVJGXML-KRWDZBQOSA-N 2 0 348.535 2.234 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659436871 471626259 /nfs/dbraw/zinc/62/62/59/471626259.db2.gz SLAJJLWIDHVPAK-SQNIBIBYSA-N 2 0 336.524 2.454 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)cs1 ZINC000104174011 529101643 /nfs/dbraw/zinc/10/16/43/529101643.db2.gz KIRDHFPNXCODBL-NSHDSACASA-N 2 0 345.310 2.399 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227325 782174295 /nfs/dbraw/zinc/17/42/95/782174295.db2.gz GCFUHRQAUBREAE-MJGOQNOKSA-N 2 0 331.504 2.006 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167472 782174829 /nfs/dbraw/zinc/17/48/29/782174829.db2.gz QCLBHVXTTWKMKC-MCIONIFRSA-N 2 0 335.414 2.272 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=C)C)CC1 ZINC000969155529 674643094 /nfs/dbraw/zinc/64/30/94/674643094.db2.gz BEMMLFJFVWXMAV-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174001 675877068 /nfs/dbraw/zinc/87/70/68/675877068.db2.gz KMFMIIYVIQCVMK-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000970925899 676245846 /nfs/dbraw/zinc/24/58/46/676245846.db2.gz SLKLCHIKSDIOPT-QGZVFWFLSA-N 2 0 343.515 2.269 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242869 676256536 /nfs/dbraw/zinc/25/65/36/676256536.db2.gz CUQVAQQTLVJGQP-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039249539 676266139 /nfs/dbraw/zinc/26/61/39/676266139.db2.gz BIVJHEWPXXCLTF-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024517060 680022544 /nfs/dbraw/zinc/02/25/44/680022544.db2.gz QMBONULZAQPFCS-DLBZAZTESA-N 2 0 330.476 2.382 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261967926 682684745 /nfs/dbraw/zinc/68/47/45/682684745.db2.gz LYPBDNPIABUVBQ-HKUYNNGSSA-N 2 0 336.524 2.185 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527488 682956756 /nfs/dbraw/zinc/95/67/56/682956756.db2.gz HSKVUWDIFVLWQQ-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001025630814 683168475 /nfs/dbraw/zinc/16/84/75/683168475.db2.gz WSLBGJWGIAFVOT-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC000992752100 683382945 /nfs/dbraw/zinc/38/29/45/683382945.db2.gz GZFIWMPCNSZXGV-YESZJQIVSA-N 2 0 330.476 2.146 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC000992859294 683608377 /nfs/dbraw/zinc/60/83/77/683608377.db2.gz ODIVZYOYWHOXNW-USXIJHARSA-N 2 0 328.460 2.164 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001026331590 684294024 /nfs/dbraw/zinc/29/40/24/684294024.db2.gz WYNBRDSWRQLKSH-ARFHVFGLSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660825 685170690 /nfs/dbraw/zinc/17/06/90/685170690.db2.gz DONFEMRWVMJCKY-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040099 686063567 /nfs/dbraw/zinc/06/35/67/686063567.db2.gz PCPAIPWKVHNAMS-DNVCBOLYSA-N 2 0 337.483 2.049 20 30 EEEDRP CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000985492552 687032647 /nfs/dbraw/zinc/03/26/47/687032647.db2.gz NKNWFMWKDPIWMM-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000986547674 688685216 /nfs/dbraw/zinc/68/52/16/688685216.db2.gz HDCSZNNWVNTZTQ-HOCLYGCPSA-N 2 0 325.416 2.036 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988966341 691333125 /nfs/dbraw/zinc/33/31/25/691333125.db2.gz LEKXCCQLULIFHX-YJBOKZPZSA-N 2 0 340.471 2.122 20 30 EEEDRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948226 1177873141 /nfs/dbraw/zinc/87/31/41/1177873141.db2.gz LNAJWWOZDWCXDO-QAPCUYQASA-N 2 0 347.890 2.270 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC(CC)CC)[C@H](C)C2)CC1 ZINC001107034362 1192865984 /nfs/dbraw/zinc/86/59/84/1192865984.db2.gz XBOFTFKKRTYJGL-YLJYHZDGSA-N 2 0 347.547 2.452 20 30 EEEDRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001481858001 1182809026 /nfs/dbraw/zinc/80/90/26/1182809026.db2.gz YVKBCUYTWBJFHT-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430297 1186867018 /nfs/dbraw/zinc/86/70/18/1186867018.db2.gz LSPNXOAMYYWIAS-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001105481897 1188098249 /nfs/dbraw/zinc/09/82/49/1188098249.db2.gz KNKNHAATCJPZCP-PGYGNJIDSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2ccnc2)CCC1 ZINC001105552038 1188167932 /nfs/dbraw/zinc/16/79/32/1188167932.db2.gz UWRSOHUGOZCSHG-KRWDZBQOSA-N 2 0 328.460 2.047 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819264 1194445672 /nfs/dbraw/zinc/44/56/72/1194445672.db2.gz YMVQCQJPEARULH-ZSYWTGECSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034010651 1195629931 /nfs/dbraw/zinc/62/99/31/1195629931.db2.gz BQABKGZYYYTKSP-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001034045463 1195697189 /nfs/dbraw/zinc/69/71/89/1195697189.db2.gz JHSOXBXYKLJCKD-HKUYNNGSSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001034045249 1195697317 /nfs/dbraw/zinc/69/73/17/1195697317.db2.gz IZQVUXKPLKKDKH-KRWDZBQOSA-N 2 0 337.895 2.007 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001034792039 1196734912 /nfs/dbraw/zinc/73/49/12/1196734912.db2.gz CQAGXOFJMOBVKK-KKUMJFAQSA-N 2 0 346.500 2.088 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001034792962 1196736117 /nfs/dbraw/zinc/73/61/17/1196736117.db2.gz PTJCBGQGVWLOFS-FHWLQOOXSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273143240 1196999690 /nfs/dbraw/zinc/99/96/90/1196999690.db2.gz DHKLERMVBDPOTM-IBGZPJMESA-N 2 0 332.492 2.089 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144477 1197014867 /nfs/dbraw/zinc/01/48/67/1197014867.db2.gz QGNTZQFXHZXTEL-AZUAARDMSA-N 2 0 346.519 2.337 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140549 1199349345 /nfs/dbraw/zinc/34/93/45/1199349345.db2.gz IWRBZYLAMPCUCL-IAGOWNOFSA-N 2 0 330.476 2.453 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001132264787 1199502337 /nfs/dbraw/zinc/50/23/37/1199502337.db2.gz BLCSFWSIOGLTSY-WBVHZDCISA-N 2 0 349.475 2.127 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441471 1199726836 /nfs/dbraw/zinc/72/68/36/1199726836.db2.gz PRSMLBPWXLDEDI-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275296220 1205302006 /nfs/dbraw/zinc/30/20/06/1205302006.db2.gz VYGMMRJUWSIWOT-HDICACEKSA-N 2 0 336.443 2.020 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2CC1 ZINC001275327360 1205309878 /nfs/dbraw/zinc/30/98/78/1205309878.db2.gz OMUUEBFBDHKBTL-KDURUIRLSA-N 2 0 344.478 2.403 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@H]2CC1 ZINC001275359378 1205321467 /nfs/dbraw/zinc/32/14/67/1205321467.db2.gz REYSAWPFURFBCF-HDICACEKSA-N 2 0 344.478 2.403 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802370 1208723316 /nfs/dbraw/zinc/72/33/16/1208723316.db2.gz YJFCGBZDBLHTNR-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802372 1208723351 /nfs/dbraw/zinc/72/33/51/1208723351.db2.gz YJFCGBZDBLHTNR-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000949358168 1209649084 /nfs/dbraw/zinc/64/90/84/1209649084.db2.gz FVWJZQZVJRIDFX-GOSISDBHSA-N 2 0 349.519 2.129 20 30 EEEDRP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCCCCC1 ZINC000190537253 1209906830 /nfs/dbraw/zinc/90/68/30/1209906830.db2.gz DNCUNAYFKAAKRG-LJQANCHMSA-N 2 0 344.503 2.468 20 30 EEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)CC(C)C ZINC000303774779 1213904071 /nfs/dbraw/zinc/90/40/71/1213904071.db2.gz GCPPOGNRLCXBNT-IAGOWNOFSA-N 3 0 325.545 2.132 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957626636 1215269606 /nfs/dbraw/zinc/26/96/06/1215269606.db2.gz ZFBLPMAATHOJBC-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1ccccc1F ZINC000304667641 1216082988 /nfs/dbraw/zinc/08/29/88/1216082988.db2.gz BMKKDXZNZLVUTP-HUUCEWRRSA-N 2 0 336.455 2.372 20 30 EEEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NCC3CCC3)cc2F)CC1 ZINC000304753817 1216102431 /nfs/dbraw/zinc/10/24/31/1216102431.db2.gz LKCIEUCINAUZBW-UHFFFAOYSA-N 2 0 347.482 2.172 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304740567 1216102507 /nfs/dbraw/zinc/10/25/07/1216102507.db2.gz BSNDJQYPMJKZFX-CYBMUJFWSA-N 2 0 344.381 2.331 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000962807288 1216104716 /nfs/dbraw/zinc/10/47/16/1216104716.db2.gz BYCKLPYFLMYKSZ-UHFFFAOYSA-N 2 0 345.531 2.252 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963356210 1217550519 /nfs/dbraw/zinc/55/05/19/1217550519.db2.gz CDDVEHMHRSCMRL-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CC=C)C2)CC1 ZINC000963429783 1217623656 /nfs/dbraw/zinc/62/36/56/1217623656.db2.gz RKRIKWLYWXNYBX-WOJBJXKFSA-N 2 0 343.515 2.221 20 30 EEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327841 1221212582 /nfs/dbraw/zinc/21/25/82/1221212582.db2.gz TUNCRHOKCMDHTB-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000968998460 1221728254 /nfs/dbraw/zinc/72/82/54/1221728254.db2.gz WYWMWRSXNKZNHB-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001009631418 1223310677 /nfs/dbraw/zinc/31/06/77/1223310677.db2.gz YERTZSSJSCSDGW-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018835617 1228443477 /nfs/dbraw/zinc/44/34/77/1228443477.db2.gz KTWYYWGPEBTDBB-RBUKOAKNSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130423 1230338239 /nfs/dbraw/zinc/33/82/39/1230338239.db2.gz OVOSVPNWSBZJGR-UXHICEINSA-N 2 0 345.531 2.465 20 30 EEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039132882 1230343148 /nfs/dbraw/zinc/34/31/48/1230343148.db2.gz QHHLWDKTRPOWEN-NZSAHSFTSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133873 1230344818 /nfs/dbraw/zinc/34/48/18/1230344818.db2.gz LRMFMIIVMAAVOS-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180712 1230407301 /nfs/dbraw/zinc/40/73/01/1230407301.db2.gz VHADBARPGTZHPF-MOPGFXCFSA-N 2 0 333.520 2.156 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2ccnc2C1 ZINC001039396502 1230580060 /nfs/dbraw/zinc/58/00/60/1230580060.db2.gz TZARXNBOIXDHKY-BBWFWOEESA-N 2 0 328.460 2.087 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699942 1231340190 /nfs/dbraw/zinc/34/01/90/1231340190.db2.gz FNTDYSGROFLSJK-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040947978 1231408184 /nfs/dbraw/zinc/40/81/84/1231408184.db2.gz LFRGAJRXQFSYBW-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723885 1231661942 /nfs/dbraw/zinc/66/19/42/1231661942.db2.gz LWFIKDGZKYXVCU-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042305647 1232018397 /nfs/dbraw/zinc/01/83/97/1232018397.db2.gz BYNBCPUKDCFUPM-ICSRJNTNSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)CC1 ZINC001044335795 1232878953 /nfs/dbraw/zinc/87/89/53/1232878953.db2.gz OWIXXHKEXRWCBQ-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)C[C@H]2C)CC1 ZINC001044872558 1233332473 /nfs/dbraw/zinc/33/24/73/1233332473.db2.gz SOOPDMIYTZHISD-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015754 1233587932 /nfs/dbraw/zinc/58/79/32/1233587932.db2.gz RFZKSJAFBHRNLH-DRMAHVMPSA-N 2 0 337.483 2.497 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001045685354 1233906489 /nfs/dbraw/zinc/90/64/89/1233906489.db2.gz HNKJHRLJKRYROA-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966168 1234245270 /nfs/dbraw/zinc/24/52/70/1234245270.db2.gz QCCMJKHREQKGGV-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046925939 1235314729 /nfs/dbraw/zinc/31/47/29/1235314729.db2.gz PPPZLDWGJDDYRW-GJZGRUSLSA-N 2 0 329.435 2.120 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047242022 1235729686 /nfs/dbraw/zinc/72/96/86/1235729686.db2.gz AJHZCXDLWSZECQ-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047256362 1235759557 /nfs/dbraw/zinc/75/95/57/1235759557.db2.gz JQKKPRBGXQWBTR-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047256364 1235759966 /nfs/dbraw/zinc/75/99/66/1235759966.db2.gz JQKKPRBGXQWBTR-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531833 1237888199 /nfs/dbraw/zinc/88/81/99/1237888199.db2.gz GVMVTWVIZSEABU-HAGHYFMRSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)CC1 ZINC001048590711 1238043704 /nfs/dbraw/zinc/04/37/04/1238043704.db2.gz WCHXYOFDHLXENZ-FNLKRUPLSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860077 1239060147 /nfs/dbraw/zinc/06/01/47/1239060147.db2.gz FXZABEGTPAJCNX-GBESFXJTSA-N 2 0 333.520 2.321 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC001048964169 1239595750 /nfs/dbraw/zinc/59/57/50/1239595750.db2.gz HQQCINBSKZZOEJ-HDICACEKSA-N 2 0 336.439 2.452 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114944 1240037150 /nfs/dbraw/zinc/03/71/50/1240037150.db2.gz XYTSUXOMPAIIPF-KDURUIRLSA-N 2 0 327.472 2.328 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049472794 1241052278 /nfs/dbraw/zinc/05/22/78/1241052278.db2.gz HCRCRALNZRBRMU-YSIASYRMSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912750 1242674069 /nfs/dbraw/zinc/67/40/69/1242674069.db2.gz OILCLIBAFQIBKG-RBUKOAKNSA-N 2 0 325.456 2.060 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047968 1242718402 /nfs/dbraw/zinc/71/84/02/1242718402.db2.gz WGYWLPDNHCFFNU-IPMKNSEASA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517777 1243770279 /nfs/dbraw/zinc/77/02/79/1243770279.db2.gz FLJFPMVJOARGIT-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718155 1244202988 /nfs/dbraw/zinc/20/29/88/1244202988.db2.gz MRYGZXOBMYFHNW-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)CC)CC2)CC1 ZINC001052954727 1245547104 /nfs/dbraw/zinc/54/71/04/1245547104.db2.gz QWCKIVOQBYTYHO-MJGOQNOKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001101549098 1245953877 /nfs/dbraw/zinc/95/38/77/1245953877.db2.gz AMBHJUPSOUZIDN-SFHVURJKSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054153026 1247541443 /nfs/dbraw/zinc/54/14/43/1247541443.db2.gz KCLMJVYLTHSKQD-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001071066209 1253933151 /nfs/dbraw/zinc/93/31/51/1253933151.db2.gz HBOFISLCQVZJSA-QYZOEREBSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C(F)(F)F ZINC001099274834 1258054377 /nfs/dbraw/zinc/05/43/77/1258054377.db2.gz YMBYPCUBDMITTP-ZIAGYGMSSA-N 2 0 338.333 2.113 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185778287 1278777147 /nfs/dbraw/zinc/77/71/47/1278777147.db2.gz HXRBHKXGLWMIQE-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001071055709 1286736674 /nfs/dbraw/zinc/73/66/74/1286736674.db2.gz SIEKRZMIZDNSAQ-QYZOEREBSA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CCCO1 ZINC001201669045 1289707934 /nfs/dbraw/zinc/70/79/34/1289707934.db2.gz OKCOAXYDPQHMSF-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCCC)C2)CC1 ZINC001490578990 1291473958 /nfs/dbraw/zinc/47/39/58/1291473958.db2.gz AIJZFNRIQOIFEG-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001211307335 1295811506 /nfs/dbraw/zinc/81/15/06/1295811506.db2.gz UENPINICLLRUHH-WAQVGJNASA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215389212 1296885381 /nfs/dbraw/zinc/88/53/81/1296885381.db2.gz ZFLJMGJBWZCTJB-QRQLOZEOSA-N 2 0 331.504 2.243 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166248 1297046151 /nfs/dbraw/zinc/04/61/51/1297046151.db2.gz UTXLVGIWHMEZIJ-FUHWJXTLSA-N 2 0 345.491 2.092 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742932 1297475064 /nfs/dbraw/zinc/47/50/64/1297475064.db2.gz JFDMIKCSFFCNGE-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CCN1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942527 1299215845 /nfs/dbraw/zinc/21/58/45/1299215845.db2.gz ONDNSBOIUMQHCE-AQNXPRMDSA-N 2 0 339.483 2.235 20 30 EEEDRP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001222090517 1299340746 /nfs/dbraw/zinc/34/07/46/1299340746.db2.gz FJGILZMHOHYELL-UHFFFAOYSA-N 2 0 347.466 2.148 20 30 EEEDRP C#CCCC[NH+]1CCC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)CC1 ZINC001276980100 1300644584 /nfs/dbraw/zinc/64/45/84/1300644584.db2.gz QVMFWQLLTITONM-GOSISDBHSA-N 2 0 333.520 2.302 20 30 EEEDRP C=C(Cl)CN1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224569331 1300653880 /nfs/dbraw/zinc/65/38/80/1300653880.db2.gz LFSXFHBDICAQNC-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373726 1300952897 /nfs/dbraw/zinc/95/28/97/1300952897.db2.gz JSIFKVKMNBFZKY-UKRRQHHQSA-N 2 0 327.900 2.155 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001230101507 1303058497 /nfs/dbraw/zinc/05/84/97/1303058497.db2.gz OWCQFVBYIFHNHH-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CCN(CCCNC(=O)[C@@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846647 1303499172 /nfs/dbraw/zinc/49/91/72/1303499172.db2.gz SJNANJWGTJFEPM-LJQANCHMSA-N 2 0 344.503 2.144 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230898774 1303532370 /nfs/dbraw/zinc/53/23/70/1303532370.db2.gz NTMKFQHVDIWDRH-GOSISDBHSA-N 2 0 344.503 2.308 20 30 EEEDRP C#CCCCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000780451048 1303668227 /nfs/dbraw/zinc/66/82/27/1303668227.db2.gz LNYGUNPUYKMVRM-UHFFFAOYSA-N 2 0 342.487 2.294 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234435419 1304921174 /nfs/dbraw/zinc/92/11/74/1304921174.db2.gz HBVAQGCMOPYWOM-KRWDZBQOSA-N 2 0 330.476 2.261 20 30 EEEDRP N#CCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001277949184 1305253803 /nfs/dbraw/zinc/25/38/03/1305253803.db2.gz TZVBLZIRBRNLQM-ROUUACIJSA-N 2 0 344.503 2.135 20 30 EEEDRP N#Cc1cc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc(C2C[NH2+]C2)c1 ZINC001240351786 1309310913 /nfs/dbraw/zinc/31/09/13/1309310913.db2.gz YYADVUJWHJHXMN-UHFFFAOYSA-N 2 0 343.434 2.193 20 30 EEEDRP C[C@H]1C[C@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246956500 1310478150 /nfs/dbraw/zinc/47/81/50/1310478150.db2.gz XLQBYVBDVPBBIC-KBXCAEBGSA-N 2 0 341.459 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC/C=C/c2ccccc2)CC1 ZINC001152329914 1316657484 /nfs/dbraw/zinc/65/74/84/1316657484.db2.gz FBHUEIPZGCDHJC-UXBLZVDNSA-N 2 0 339.483 2.141 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccccc2C(C)C)CC1 ZINC001152330563 1316657530 /nfs/dbraw/zinc/65/75/30/1316657530.db2.gz RJAKFJCNIMHUBB-UHFFFAOYSA-N 2 0 341.499 2.361 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254870 1317525012 /nfs/dbraw/zinc/52/50/12/1317525012.db2.gz HEQAQYBMRRJYLX-IAGOWNOFSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255582 1317525861 /nfs/dbraw/zinc/52/58/61/1317525861.db2.gz USZLANBFVZDAEV-RBUKOAKNSA-N 2 0 341.499 2.207 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccccc1)[NH+](C)C ZINC001155289178 1317539218 /nfs/dbraw/zinc/53/92/18/1317539218.db2.gz MWNOOSYMJJUDHF-MJGOQNOKSA-N 2 0 329.488 2.205 20 30 EEEDRP C=CCC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001252595667 1317642806 /nfs/dbraw/zinc/64/28/06/1317642806.db2.gz JIVPXZYZFQZKBA-WCIQWLHISA-N 2 0 346.519 2.383 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccccc1 ZINC001155900205 1317781705 /nfs/dbraw/zinc/78/17/05/1317781705.db2.gz GMHKOMZTJHNIHH-GOSISDBHSA-N 2 0 329.488 2.207 20 30 EEEDRP C=CCN1CCC[C@H]1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254053053 1317992876 /nfs/dbraw/zinc/99/28/76/1317992876.db2.gz GGNKWNNMGMMSNI-FQEVSTJZSA-N 2 0 343.515 2.254 20 30 EEEDRP C=CCCCCC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951666 1320330189 /nfs/dbraw/zinc/33/01/89/1320330189.db2.gz NGQQVMQHKRBYJT-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP N#Cc1c(NC[C@]2(CC3CC3)CCC[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001162349930 1320834151 /nfs/dbraw/zinc/83/41/51/1320834151.db2.gz LIFDWCPWVXAGFX-LJQANCHMSA-N 2 0 325.460 2.323 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)(COC)CC1 ZINC001162533787 1320888675 /nfs/dbraw/zinc/88/86/75/1320888675.db2.gz STYVTTHTXQWRLM-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001162836333 1320970603 /nfs/dbraw/zinc/97/06/03/1320970603.db2.gz GHJHEQBBJVELLG-IBGZPJMESA-N 2 0 331.504 2.420 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001163126495 1321044211 /nfs/dbraw/zinc/04/42/11/1321044211.db2.gz RXIPBAQDXXJCHO-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001163466307 1321133344 /nfs/dbraw/zinc/13/33/44/1321133344.db2.gz OFXDNNXSCJEOJY-UHFFFAOYSA-N 2 0 344.850 2.265 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001163822109 1321225555 /nfs/dbraw/zinc/22/55/55/1321225555.db2.gz SHLMXBFLTDYMPY-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1)CC(C)(C)C ZINC001166744431 1321779801 /nfs/dbraw/zinc/77/98/01/1321779801.db2.gz WODLNVBNZAMQRY-UHFFFAOYSA-N 2 0 336.505 2.194 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001265061482 1322900346 /nfs/dbraw/zinc/90/03/46/1322900346.db2.gz SCERPSVIYVAAMD-SFHVURJKSA-N 2 0 348.466 2.222 20 30 EEEDRP CC[C@H](C(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001205515765 1323172164 /nfs/dbraw/zinc/17/21/64/1323172164.db2.gz CYEICZZABBGUTD-HXUWFJFHSA-N 2 0 341.499 2.207 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206795019 1323600304 /nfs/dbraw/zinc/60/03/04/1323600304.db2.gz YSGVATPZCOLSOC-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001209323021 1324901719 /nfs/dbraw/zinc/90/17/19/1324901719.db2.gz DALKJQKZJCPOQK-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492035476 1330459954 /nfs/dbraw/zinc/45/99/54/1330459954.db2.gz ZEHACGXHWOSYSV-AWEZNQCLSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200795620 1338625756 /nfs/dbraw/zinc/62/57/56/1338625756.db2.gz LXBZIJISKJEOCE-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001567024035 1342682340 /nfs/dbraw/zinc/68/23/40/1342682340.db2.gz FPJVLYHWRFLCJG-YJBOKZPZSA-N 2 0 349.906 2.372 20 30 EEEDRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001371175962 1375280035 /nfs/dbraw/zinc/28/00/35/1375280035.db2.gz DLNAMAYRDUELCE-CQSZACIVSA-N 2 0 348.516 2.479 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001376524543 1378573774 /nfs/dbraw/zinc/57/37/74/1378573774.db2.gz CWWNLFRJKGCSBZ-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001376703383 1378690203 /nfs/dbraw/zinc/69/02/03/1378690203.db2.gz BFSFFFXCXHTWKU-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(C#N)c1 ZINC001379166293 1380609761 /nfs/dbraw/zinc/60/97/61/1380609761.db2.gz FUUMXUGGWVDVDR-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001379234377 1380646739 /nfs/dbraw/zinc/64/67/39/1380646739.db2.gz SNWMSLPMYNXVLE-RDTXWAMCSA-N 2 0 348.466 2.220 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001379805907 1380899785 /nfs/dbraw/zinc/89/97/85/1380899785.db2.gz WLYUQWXTEXPJIH-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001393179900 1390356893 /nfs/dbraw/zinc/35/68/93/1390356893.db2.gz KNDWUVHQDSSOIX-CQSZACIVSA-N 2 0 327.900 2.299 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001752853818 1406488551 /nfs/dbraw/zinc/48/85/51/1406488551.db2.gz MPFXWPNMYXJCDA-UHFFFAOYSA-N 2 0 341.499 2.397 20 30 EEEDRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001399342216 1394989645 /nfs/dbraw/zinc/98/96/45/1394989645.db2.gz QQQKQLQJRVFYLW-CQSZACIVSA-N 2 0 346.450 2.166 20 30 EEEDRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001399958952 1395745586 /nfs/dbraw/zinc/74/55/86/1395745586.db2.gz RHGFAXALPRNHIN-QGZVFWFLSA-N 2 0 348.516 2.432 20 30 EEEDRP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C[NH+](C)CC(C)(C)C ZINC001401387420 1397220046 /nfs/dbraw/zinc/22/00/46/1397220046.db2.gz WAAMMQMIVQSHBR-UHFFFAOYSA-N 2 0 344.503 2.426 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001403187503 1398467181 /nfs/dbraw/zinc/46/71/81/1398467181.db2.gz HWTYHKXEKQIJJN-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001755118623 1407129719 /nfs/dbraw/zinc/12/97/19/1407129719.db2.gz JKXYSJYAEZGHGI-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001425665433 1401715512 /nfs/dbraw/zinc/71/55/12/1401715512.db2.gz UZLUXJPNPMQGHQ-CQSZACIVSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001425906051 1401796631 /nfs/dbraw/zinc/79/66/31/1401796631.db2.gz FNFSQVSCQGIEFT-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001724978645 1405777004 /nfs/dbraw/zinc/77/70/04/1405777004.db2.gz YGYGYZAXEWHFQZ-LJQANCHMSA-N 2 0 341.499 2.110 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)Cc2ccsc2)CC1 ZINC001752120789 1406216263 /nfs/dbraw/zinc/21/62/63/1406216263.db2.gz BZINCFWYFXJALB-UHFFFAOYSA-N 2 0 333.501 2.031 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755749435 1407807353 /nfs/dbraw/zinc/80/73/53/1407807353.db2.gz JDEVLRCPDAGGSU-QFBILLFUSA-N 2 0 327.472 2.260 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001112468327 756981172 /nfs/dbraw/zinc/98/11/72/756981172.db2.gz DYLZLNUOKCRWNF-PXNSSMCTSA-N 2 0 336.439 2.190 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067389 769133184 /nfs/dbraw/zinc/13/31/84/769133184.db2.gz VNTMHLNKBJXBJE-FUHWJXTLSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167754727 769554105 /nfs/dbraw/zinc/55/41/05/769554105.db2.gz UDROPEFZMFCBTP-UHFFFAOYSA-N 2 0 336.867 2.390 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130358 782953088 /nfs/dbraw/zinc/95/30/88/782953088.db2.gz KONKJQWTSNIBMP-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886664 774010101 /nfs/dbraw/zinc/01/01/01/774010101.db2.gz VQFJAJJUUDTOOD-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181575 774015332 /nfs/dbraw/zinc/01/53/32/774015332.db2.gz FAYMQCJHRIXKFS-ZCNNSNEGSA-N 2 0 339.483 2.212 20 30 EEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238871 776920745 /nfs/dbraw/zinc/92/07/45/776920745.db2.gz KXVHNKAYOLTBMP-ZWKOTPCHSA-N 2 0 327.472 2.055 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089820974 776965003 /nfs/dbraw/zinc/96/50/03/776965003.db2.gz PZJXTMKTJNOFRJ-KANFNMMFSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(=C)Cl)C2)CC1 ZINC000981542431 777627553 /nfs/dbraw/zinc/62/75/53/777627553.db2.gz UONMIXPXYVITPX-IRXDYDNUSA-N 2 0 337.895 2.101 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089846210 777802557 /nfs/dbraw/zinc/80/25/57/777802557.db2.gz KWWHPYYLVUHXMJ-RDGPPVDQSA-N 2 0 343.515 2.053 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767624 778165052 /nfs/dbraw/zinc/16/50/52/778165052.db2.gz UUVJFHFKCDUWJO-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982117041 779127867 /nfs/dbraw/zinc/12/78/67/779127867.db2.gz XWMDWNCMAXIPMN-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C/C=C/Cl)C3)CC1 ZINC000982162157 779180620 /nfs/dbraw/zinc/18/06/20/779180620.db2.gz LCHRUQUZQKJXJZ-XBXARRHUSA-N 2 0 349.906 2.009 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982306256 779658751 /nfs/dbraw/zinc/65/87/51/779658751.db2.gz OSIWPRPLCFVPRD-IZZBFERCSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333223 779752351 /nfs/dbraw/zinc/75/23/51/779752351.db2.gz WMBYAUHOMIPNNN-SESVDKBCSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C(F)(F)F ZINC001112137751 781234507 /nfs/dbraw/zinc/23/45/07/781234507.db2.gz CBXNISMQWZQRCJ-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101085 781723212 /nfs/dbraw/zinc/72/32/12/781723212.db2.gz QJPMVSJHQJPJPE-GDBMZVCRSA-N 2 0 333.501 2.273 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995208704 781874691 /nfs/dbraw/zinc/87/46/91/781874691.db2.gz ILTBIVQXISZKNA-GJZGRUSLSA-N 2 0 346.500 2.090 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315470 783483665 /nfs/dbraw/zinc/48/36/65/783483665.db2.gz YICOCKNDNAAJDR-SJORKVTESA-N 2 0 339.911 2.442 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)C(C)C ZINC001135477811 783869609 /nfs/dbraw/zinc/86/96/09/783869609.db2.gz PGRVIVDZWJLKOI-LJQANCHMSA-N 2 0 329.488 2.110 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395430 784438930 /nfs/dbraw/zinc/43/89/30/784438930.db2.gz WNPNRSLBBIFUOY-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858204 784640701 /nfs/dbraw/zinc/64/07/01/784640701.db2.gz UZJOHPGAEVTSPV-KGLIPLIRSA-N 2 0 336.505 2.334 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036095566 785748995 /nfs/dbraw/zinc/74/89/95/785748995.db2.gz WYVJJLWTSUMCEI-HIFRSBDPSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036193314 785964509 /nfs/dbraw/zinc/96/45/09/785964509.db2.gz MESIJZPQWVVMDN-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190685 786106291 /nfs/dbraw/zinc/10/62/91/786106291.db2.gz MXXDHMOWQDCNTF-ROUUACIJSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438825 787246688 /nfs/dbraw/zinc/24/66/88/787246688.db2.gz JLGZOZVIXJABNG-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646605 787996849 /nfs/dbraw/zinc/99/68/49/787996849.db2.gz MMFIBJQWZDLPSQ-QWFCFKBJSA-N 2 0 331.504 2.101 20 30 EEEDRP CCCC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)NC(C)(C)C ZINC000912496960 788204933 /nfs/dbraw/zinc/20/49/33/788204933.db2.gz IUXYIFNZSBIXPR-INIZCTEOSA-N 2 0 325.545 2.146 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941774 789558933 /nfs/dbraw/zinc/55/89/33/789558933.db2.gz NFGOFVSMWPQAAW-MJGOQNOKSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997871888 791317771 /nfs/dbraw/zinc/31/77/71/791317771.db2.gz QVPCTTYTKRDYEE-INIZCTEOSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593036 791361680 /nfs/dbraw/zinc/36/16/80/791361680.db2.gz MRXXUSFAXAUDNT-OLZOCXBDSA-N 2 0 334.302 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CCC)CC2)CC1 ZINC000998194693 792198358 /nfs/dbraw/zinc/19/83/58/792198358.db2.gz DTXMWTICNCSWOT-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923209 792992023 /nfs/dbraw/zinc/99/20/23/792992023.db2.gz LXGILIPRPGTVOD-PKOBYXMFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126585 793179860 /nfs/dbraw/zinc/17/98/60/793179860.db2.gz VQHAUKKKQYMPGN-DLBZAZTESA-N 2 0 339.524 2.136 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1 ZINC001109928199 806226475 /nfs/dbraw/zinc/22/64/75/806226475.db2.gz LPLCRTYAIBGVEX-AABGKKOBSA-N 2 0 339.483 2.101 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819264 793331671 /nfs/dbraw/zinc/33/16/71/793331671.db2.gz SBSRXPZLZKSBGA-MJGOQNOKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303103 793778910 /nfs/dbraw/zinc/77/89/10/793778910.db2.gz ROXAMKUMADHZBO-GGPKGHCWSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650552 794176816 /nfs/dbraw/zinc/17/68/16/794176816.db2.gz BUOJFIGAYORWRE-GDBMZVCRSA-N 2 0 333.501 2.131 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@H](C)CC)CC3)CC1 ZINC000992511255 794459632 /nfs/dbraw/zinc/45/96/32/794459632.db2.gz QMJSUDISYUXLAD-QFUCXCTJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@@H](C)CC)CC3)CC1 ZINC000992511242 794460297 /nfs/dbraw/zinc/46/02/97/794460297.db2.gz QMJSUDISYUXLAD-DSKINZAPSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999667249 794801292 /nfs/dbraw/zinc/80/12/92/794801292.db2.gz KFZQJODUJNVRRL-AWEZNQCLSA-N 2 0 345.834 2.214 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198502 795219822 /nfs/dbraw/zinc/21/98/22/795219822.db2.gz CSYGYJRZUASTKV-BPLDGKMQSA-N 2 0 333.879 2.103 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665737 796072419 /nfs/dbraw/zinc/07/24/19/796072419.db2.gz ADXHYAMNDZWRIO-GPMSIDNRSA-N 2 0 339.499 2.459 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040787125 796287173 /nfs/dbraw/zinc/28/71/73/796287173.db2.gz LRPRQOKRVOSNND-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560292 796395283 /nfs/dbraw/zinc/39/52/83/796395283.db2.gz PXEQJDFZUFZZEG-IEBWSBKVSA-N 2 0 331.504 2.409 20 30 EEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171619961 796662770 /nfs/dbraw/zinc/66/27/70/796662770.db2.gz ZVACCSCYXNNKJN-KRWDZBQOSA-N 2 0 330.476 2.196 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001171725451 796705775 /nfs/dbraw/zinc/70/57/75/796705775.db2.gz LDPKVMXLCBNSFP-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C12CCC2 ZINC001078678520 796836651 /nfs/dbraw/zinc/83/66/51/796836651.db2.gz WAUGIQDOVUGLIA-SJORKVTESA-N 2 0 337.427 2.084 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757674 796936924 /nfs/dbraw/zinc/93/69/24/796936924.db2.gz YURPXGMXMTUXGP-JKSUJKDBSA-N 2 0 339.911 2.488 20 30 EEEDRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594637 797551321 /nfs/dbraw/zinc/55/13/21/797551321.db2.gz JBVKCASIFBBQBZ-TXQGORRRSA-N 2 0 335.492 2.128 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001176926092 798630498 /nfs/dbraw/zinc/63/04/98/798630498.db2.gz GKYFTZAOJQSLPM-SFHVURJKSA-N 2 0 341.499 2.497 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@@H](C)CC)[C@H]3C2)CC1 ZINC001085100682 798674137 /nfs/dbraw/zinc/67/41/37/798674137.db2.gz WSQOFCXCPIZTIH-NSHGMRRFSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101583 798674863 /nfs/dbraw/zinc/67/48/63/798674863.db2.gz RYNAVBOGHGDURW-HSALFYBXSA-N 2 0 345.531 2.443 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085149075 798723229 /nfs/dbraw/zinc/72/32/29/798723229.db2.gz AXVBOQRBULXDCE-QRVBRYPASA-N 2 0 340.471 2.169 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085152719 798727099 /nfs/dbraw/zinc/72/70/99/798727099.db2.gz OTVYAQCSNBVGAZ-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001177319473 798858663 /nfs/dbraw/zinc/85/86/63/798858663.db2.gz MPQCLKSHHCATEO-FQEVSTJZSA-N 2 0 345.531 2.350 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112589673 806713131 /nfs/dbraw/zinc/71/31/31/806713131.db2.gz MBGBDQJIUMNKMV-FPOVZHCZSA-N 2 0 345.531 2.494 20 30 EEEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001179000970 799739437 /nfs/dbraw/zinc/73/94/37/799739437.db2.gz UQDGHPGQXSYPAZ-UHFFFAOYSA-N 2 0 339.443 2.170 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001179461166 799934352 /nfs/dbraw/zinc/93/43/52/799934352.db2.gz DDZUJYNBORBHPZ-UHFFFAOYSA-N 2 0 330.476 2.276 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832811 801380441 /nfs/dbraw/zinc/38/04/41/801380441.db2.gz RPCOPGHTIIBGEZ-ZCNNSNEGSA-N 2 0 341.499 2.441 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001004241259 801392623 /nfs/dbraw/zinc/39/26/23/801392623.db2.gz HVUZQZHJEFRKMT-UHFFFAOYSA-N 2 0 331.460 2.339 20 30 EEEDRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CC#Cc1ccccc1 ZINC001151361499 801763045 /nfs/dbraw/zinc/76/30/45/801763045.db2.gz JGKZUOLWYHYVAY-UHFFFAOYSA-N 2 0 327.472 2.010 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004460539 802129213 /nfs/dbraw/zinc/12/92/13/802129213.db2.gz ZUELVBLWEMCCMB-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540888 802332270 /nfs/dbraw/zinc/33/22/70/802332270.db2.gz USQURRRMDMCPJL-RTBURBONSA-N 2 0 333.520 2.299 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004549334 802351989 /nfs/dbraw/zinc/35/19/89/802351989.db2.gz XHBXTKVIKTXQHC-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595017 802447592 /nfs/dbraw/zinc/44/75/92/802447592.db2.gz DZOSKDYUFKTZSF-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697037 802836814 /nfs/dbraw/zinc/83/68/14/802836814.db2.gz LOYJOBOBDSZBTI-CEXWTWQISA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086386645 802875386 /nfs/dbraw/zinc/87/53/86/802875386.db2.gz BDDKMSBPXZGNMX-BZUAXINKSA-N 2 0 327.900 2.201 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421053 803506021 /nfs/dbraw/zinc/50/60/21/803506021.db2.gz GKJKXSDBIWQVCY-IEBWSBKVSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108688345 804355552 /nfs/dbraw/zinc/35/55/52/804355552.db2.gz YVEGJBCKDDTKKZ-KSZLIROESA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109418110 805432967 /nfs/dbraw/zinc/43/29/67/805432967.db2.gz XTRJLCMQXYRMKV-FZKCQIBNSA-N 2 0 325.884 2.335 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086620111 810657243 /nfs/dbraw/zinc/65/72/43/810657243.db2.gz YRPCADLKBVLOEA-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001129841831 811004645 /nfs/dbraw/zinc/00/46/45/811004645.db2.gz PTHUHPNAOCBWBZ-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001130423794 811618421 /nfs/dbraw/zinc/61/84/21/811618421.db2.gz WMBPSVPGARPNMB-RDJZCZTQSA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001130445955 811650274 /nfs/dbraw/zinc/65/02/74/811650274.db2.gz FIMCDLWKUAYLGF-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130710758 811959254 /nfs/dbraw/zinc/95/92/54/811959254.db2.gz CYQIMWJSGZIYKH-LJQANCHMSA-N 2 0 345.462 2.003 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001439784540 1092742222 /nfs/dbraw/zinc/74/22/22/1092742222.db2.gz QFCLFRNXEVXDJF-SFHVURJKSA-N 2 0 349.906 2.494 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001440334836 1093477496 /nfs/dbraw/zinc/47/74/96/1093477496.db2.gz ASUUYBANVDQEPT-OAHLLOKOSA-N 2 0 327.900 2.489 20 30 EEEDRP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001449036715 1094050659 /nfs/dbraw/zinc/05/06/59/1094050659.db2.gz MJOMOOOQFGEKLS-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2cccc(C#N)c2)CC1 ZINC001441389897 1094947950 /nfs/dbraw/zinc/94/79/50/1094947950.db2.gz WLHGBVQPVPOPIP-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001442157376 1096413116 /nfs/dbraw/zinc/41/31/16/1096413116.db2.gz NJNFIPJLRAZCPR-CQSZACIVSA-N 2 0 346.313 2.065 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448146147 1104105390 /nfs/dbraw/zinc/10/53/90/1104105390.db2.gz JQVLAJBWVCNISU-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000104162677 237082770 /nfs/dbraw/zinc/08/27/70/237082770.db2.gz NBLOCLKUSNSMEN-MRXNPFEDSA-N 2 0 332.492 2.358 20 30 EEEDRP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C[NH+](C)C ZINC000291753920 238178202 /nfs/dbraw/zinc/17/82/02/238178202.db2.gz QNMDBPFPWRNUNZ-OAHLLOKOSA-N 2 0 326.448 2.146 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000344716542 161238805 /nfs/dbraw/zinc/23/88/05/161238805.db2.gz SKASQGSMNQNTDO-UHFFFAOYSA-N 2 0 348.516 2.336 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(Cl)c(C#N)s1 ZINC000286324492 266494450 /nfs/dbraw/zinc/49/44/50/266494450.db2.gz ABOOOIDQBBSLDV-UHFFFAOYSA-N 2 0 329.901 2.378 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155699 276371376 /nfs/dbraw/zinc/37/13/76/276371376.db2.gz MNJLOHOJWUVWMD-CVEARBPZSA-N 3 0 349.548 2.274 20 30 EEEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000581483847 324262278 /nfs/dbraw/zinc/26/22/78/324262278.db2.gz JVHBSQGWXUHECR-GOSISDBHSA-N 2 0 331.460 2.152 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000581944031 324346841 /nfs/dbraw/zinc/34/68/41/324346841.db2.gz NEQSDKNJTZJMPB-HNNXBMFYSA-N 2 0 326.448 2.059 20 30 EEEDRP Cc1cc(NCC(C)(C)[NH+](C)C)c(C#N)c(NCC(C)(C)[NH+](C)C)n1 ZINC000590568551 468274750 /nfs/dbraw/zinc/27/47/50/468274750.db2.gz HFKZOIGHIXHYON-UHFFFAOYSA-N 2 0 346.523 2.766 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000075763162 462757419 /nfs/dbraw/zinc/75/74/19/462757419.db2.gz WYZMKJGMECNSIF-LJQANCHMSA-N 2 0 329.488 2.060 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000171721695 463913639 /nfs/dbraw/zinc/91/36/39/463913639.db2.gz RAZIPGWZIFARDL-APWZRJJASA-N 2 0 336.524 2.447 20 30 EEEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000269409954 463981267 /nfs/dbraw/zinc/98/12/67/463981267.db2.gz ITZWWXLBICHQDY-UHFFFAOYSA-N 2 0 330.451 2.346 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290753904 464130834 /nfs/dbraw/zinc/13/08/34/464130834.db2.gz YNPGCVBYSPOXNG-WMZOPIPTSA-N 2 0 332.492 2.228 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173195977 464209240 /nfs/dbraw/zinc/20/92/40/464209240.db2.gz CRYGWTCMRDRBHD-SFHVURJKSA-N 2 0 334.508 2.201 20 30 EEEDRP COCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270547568 464260035 /nfs/dbraw/zinc/26/00/35/464260035.db2.gz FFAPPXDIYJQNPT-IUODEOHRSA-N 2 0 342.846 2.023 20 30 EEEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177094639 464927830 /nfs/dbraw/zinc/92/78/30/464927830.db2.gz TXNMTMYHNVNBTJ-UHFFFAOYSA-N 2 0 347.890 2.081 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000350249957 466438557 /nfs/dbraw/zinc/43/85/57/466438557.db2.gz JOCLCPVVAWNPJN-LJQANCHMSA-N 2 0 331.460 2.370 20 30 EEEDRP C=CCCO[C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017815 466954072 /nfs/dbraw/zinc/95/40/72/466954072.db2.gz HOPLGIPYCCQOEY-QGZVFWFLSA-N 2 0 345.487 2.077 20 30 EEEDRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc21 ZINC000424144249 466989215 /nfs/dbraw/zinc/98/92/15/466989215.db2.gz KVZJLZZVDUDTAQ-INIZCTEOSA-N 2 0 327.432 2.163 20 30 EEEDRP CC[NH+]1CCC(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425540488 467106803 /nfs/dbraw/zinc/10/68/03/467106803.db2.gz ODGLMPPELTYSQP-HNNXBMFYSA-N 2 0 328.460 2.152 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000516935159 468057014 /nfs/dbraw/zinc/05/70/14/468057014.db2.gz MGEGUFGXGKIQFE-ROUUACIJSA-N 2 0 341.455 2.378 20 30 EEEDRP N#CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000566406788 468151204 /nfs/dbraw/zinc/15/12/04/468151204.db2.gz KYVWADYEYIVBAF-UHFFFAOYSA-N 2 0 340.471 2.180 20 30 EEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1 ZINC000600720416 468633783 /nfs/dbraw/zinc/63/37/83/468633783.db2.gz YJMPESBMHQADKO-IBGZPJMESA-N 2 0 339.439 2.149 20 30 EEEDRP COc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1C#N ZINC000601067806 468732903 /nfs/dbraw/zinc/73/29/03/468732903.db2.gz CDNMMDLGHOTUFF-UHFFFAOYSA-N 2 0 337.427 2.326 20 30 EEEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504074 468879238 /nfs/dbraw/zinc/87/92/38/468879238.db2.gz DRKQHBMDWRIDPR-IBGZPJMESA-N 2 0 326.444 2.305 20 30 EEEDRP CC1(C)CC[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595959307 469096559 /nfs/dbraw/zinc/09/65/59/469096559.db2.gz NKJJOAHYTDPLEG-SFHVURJKSA-N 2 0 340.471 2.027 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000075583775 524017030 /nfs/dbraw/zinc/01/70/30/524017030.db2.gz RMRVQNCLNDQHDL-HNNXBMFYSA-N 2 0 348.491 2.230 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329761 678552377 /nfs/dbraw/zinc/55/23/77/678552377.db2.gz BBBPVYQZYONQLW-VQIMIIECSA-N 2 0 340.471 2.075 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1 ZINC001022809396 678585410 /nfs/dbraw/zinc/58/54/10/678585410.db2.gz LHTZEAREGWDMTB-KDURUIRLSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000972355766 678597094 /nfs/dbraw/zinc/59/70/94/678597094.db2.gz ZGMVUMRRABYODG-WMZOPIPTSA-N 2 0 346.450 2.070 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832376 681350939 /nfs/dbraw/zinc/35/09/39/681350939.db2.gz XOJKHAICKIDZTI-TZRIAGMCSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553853 681635866 /nfs/dbraw/zinc/63/58/66/681635866.db2.gz RBCFHUOYKBYVPI-KVPLUYHFSA-N 2 0 333.520 2.321 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982694344 682048804 /nfs/dbraw/zinc/04/88/04/682048804.db2.gz MHCOCMJPKPSQLC-OYRHEFFESA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]12 ZINC001026341362 684343920 /nfs/dbraw/zinc/34/39/20/684343920.db2.gz ZSJUURIKIGANST-HYVNUMGLSA-N 2 0 331.460 2.358 20 30 EEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665704 685192128 /nfs/dbraw/zinc/19/21/28/685192128.db2.gz SKDASQZJIHHAFW-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP [NH2+]=C(NC[C@@H]1CCC=CO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262803706 688515479 /nfs/dbraw/zinc/51/54/79/688515479.db2.gz NBBVXVAHKXMPKH-SFHVURJKSA-N 2 0 328.460 2.248 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391383 691668422 /nfs/dbraw/zinc/66/84/22/691668422.db2.gz ROXBHHZWSOOGEQ-HIFRSBDPSA-N 2 0 346.500 2.041 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482342469 1185450622 /nfs/dbraw/zinc/45/06/22/1185450622.db2.gz BWEHWTNZFJTXGF-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001482492117 1186305108 /nfs/dbraw/zinc/30/51/08/1186305108.db2.gz IGBXGARXYOGYIQ-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198488 1186837936 /nfs/dbraw/zinc/83/79/36/1186837936.db2.gz XWFHDPLWCDSGJC-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cncc2C)CCC1 ZINC001105549662 1188165091 /nfs/dbraw/zinc/16/50/91/1188165091.db2.gz RGIBBSHXWMASKP-SFHVURJKSA-N 2 0 342.487 2.356 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574708 1188188377 /nfs/dbraw/zinc/18/83/77/1188188377.db2.gz FQJNIDASAMESGH-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812212 1188555994 /nfs/dbraw/zinc/55/59/94/1188555994.db2.gz RTBBIBSPQNCKJI-NEWSRXKRSA-N 2 0 331.504 2.386 20 30 EEEDRP CCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272478893 1190844175 /nfs/dbraw/zinc/84/41/75/1190844175.db2.gz RMOZHLIHRVOMMY-LJQANCHMSA-N 2 0 339.524 2.212 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018065688 1224280780 /nfs/dbraw/zinc/28/07/80/1224280780.db2.gz WMXQLHUPVUTDQM-KDURUIRLSA-N 2 0 325.456 2.060 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241150 1195991457 /nfs/dbraw/zinc/99/14/57/1195991457.db2.gz PBYFHNQHPROMQQ-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398955 1196190498 /nfs/dbraw/zinc/19/04/98/1196190498.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)CC1 ZINC001034795598 1196732693 /nfs/dbraw/zinc/73/26/93/1196732693.db2.gz LHMVNLCYHGPQOH-NOKIBDOBSA-N 2 0 345.531 2.395 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001411217653 1198927184 /nfs/dbraw/zinc/92/71/84/1198927184.db2.gz QHLXIBWINSKKGO-ZDUSSCGKSA-N 2 0 348.329 2.357 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406640 1199664590 /nfs/dbraw/zinc/66/45/90/1199664590.db2.gz LYNMQKKEVCPBMI-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001134750388 1199791176 /nfs/dbraw/zinc/79/11/76/1199791176.db2.gz WSXDCKMPJQYBIH-QGZVFWFLSA-N 2 0 345.462 2.148 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001133091782 1200433905 /nfs/dbraw/zinc/43/39/05/1200433905.db2.gz VOXKZEHUMLXDDV-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133250325 1200642768 /nfs/dbraw/zinc/64/27/68/1200642768.db2.gz SZIJPEQIWJBYIJ-LPHOPBHVSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCCC)C2)CC1 ZINC001133336536 1200760153 /nfs/dbraw/zinc/76/01/53/1200760153.db2.gz BVQVNXWVBZGLSL-HKUYNNGSSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133403784 1200865544 /nfs/dbraw/zinc/86/55/44/1200865544.db2.gz INPNTSYUJRLVGK-UHFFFAOYSA-N 2 0 335.879 2.233 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001202559902 1202156634 /nfs/dbraw/zinc/15/66/34/1202156634.db2.gz TURGLIFCTLAAQM-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043189 1204343735 /nfs/dbraw/zinc/34/37/35/1204343735.db2.gz MYJRGPNDKVVYNC-FQEVSTJZSA-N 2 0 340.471 2.232 20 30 EEEDRP N#CCCCN1CC[C@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274266638 1204979692 /nfs/dbraw/zinc/97/96/92/1204979692.db2.gz ADFPJEFKJHWREM-IBGZPJMESA-N 2 0 337.427 2.291 20 30 EEEDRP COCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274939336 1205213967 /nfs/dbraw/zinc/21/39/67/1205213967.db2.gz HMGOLXIUYOQBAT-HDICACEKSA-N 2 0 330.476 2.077 20 30 EEEDRP N#Cc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275027503 1205236118 /nfs/dbraw/zinc/23/61/18/1205236118.db2.gz LXPCHINVZWSAEA-KDURUIRLSA-N 2 0 336.443 2.020 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001275290680 1205299802 /nfs/dbraw/zinc/29/98/02/1205299802.db2.gz WUIZZPWFUGRVFA-UHFFFAOYSA-N 2 0 335.455 2.353 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723054 1208686961 /nfs/dbraw/zinc/68/69/61/1208686961.db2.gz PLJQJIYMUIBSGM-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949389294 1209662409 /nfs/dbraw/zinc/66/24/09/1209662409.db2.gz WVEOXLMXUVFIMV-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957642279 1215289473 /nfs/dbraw/zinc/28/94/73/1215289473.db2.gz GLWPYZRLFLVTCC-INIZCTEOSA-N 2 0 339.911 2.395 20 30 EEEDRP [NH2+]=C(NCCC[NH+]1CCCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304482934 1216055849 /nfs/dbraw/zinc/05/58/49/1216055849.db2.gz KGDYQKIGHBSWDG-UHFFFAOYSA-N 2 0 344.381 2.475 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1Cl ZINC000305062769 1216138959 /nfs/dbraw/zinc/13/89/59/1216138959.db2.gz KGKACEIZHKKGQL-XJKSGUPXSA-N 2 0 338.883 2.416 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352481 1217547018 /nfs/dbraw/zinc/54/70/18/1217547018.db2.gz NPNIPOHXTLLLRG-AEFFLSMTSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)CC1 ZINC000964436353 1218363850 /nfs/dbraw/zinc/36/38/50/1218363850.db2.gz CIWXXSFAXXBNAO-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326085 1221210687 /nfs/dbraw/zinc/21/06/87/1221210687.db2.gz CRFGNIIIIKQINK-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327839 1221211927 /nfs/dbraw/zinc/21/19/27/1221211927.db2.gz TUNCRHOKCMDHTB-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000968861225 1221629587 /nfs/dbraw/zinc/62/95/87/1221629587.db2.gz KEUOVWPNEHISKH-CRAIPNDOSA-N 2 0 345.491 2.337 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008543333 1222917555 /nfs/dbraw/zinc/91/75/55/1222917555.db2.gz UWRXALFRYRAQSW-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602107 1222955494 /nfs/dbraw/zinc/95/54/94/1222955494.db2.gz HWYPDRKQZQRRKQ-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001016337233 1226361458 /nfs/dbraw/zinc/36/14/58/1226361458.db2.gz QEGDISDWIFGSAQ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001016749149 1226837425 /nfs/dbraw/zinc/83/74/25/1226837425.db2.gz NNKBWVMPGKXSKA-IBGZPJMESA-N 2 0 339.483 2.008 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016981535 1227011525 /nfs/dbraw/zinc/01/15/25/1227011525.db2.gz DHZWZOZSAOONEE-LJQANCHMSA-N 2 0 339.483 2.356 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018938472 1228551915 /nfs/dbraw/zinc/55/19/15/1228551915.db2.gz PRDLUKYRXRXGBT-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140240 1230355599 /nfs/dbraw/zinc/35/55/99/1230355599.db2.gz RDRLYVAGTNVMLC-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CC[N@@H+](CC=C)C3)CC2)CC1 ZINC001039182913 1230410511 /nfs/dbraw/zinc/41/05/11/1230410511.db2.gz UMKAZYKAXNNRGR-HXUWFJFHSA-N 2 0 343.515 2.078 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228609 1230461496 /nfs/dbraw/zinc/46/14/96/1230461496.db2.gz GLUTZWYYNUEIDS-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039376253 1230562265 /nfs/dbraw/zinc/56/22/65/1230562265.db2.gz PROMTDGSDKHXNF-QYZOEREBSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277256 1231148559 /nfs/dbraw/zinc/14/85/59/1231148559.db2.gz ZJOHMDYJAOLRKV-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001040702049 1231341220 /nfs/dbraw/zinc/34/12/20/1231341220.db2.gz RJYGHEWJYDYJFI-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882224 1231394995 /nfs/dbraw/zinc/39/49/95/1231394995.db2.gz AWSJADISDZFFDR-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724349 1231662909 /nfs/dbraw/zinc/66/29/09/1231662909.db2.gz VLRLWSSGJAMNOZ-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778998 1231690244 /nfs/dbraw/zinc/69/02/44/1231690244.db2.gz JRPIARZTNIQNQS-RTWAWAEBSA-N 2 0 339.483 2.021 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123437 1231903705 /nfs/dbraw/zinc/90/37/05/1231903705.db2.gz SEOICNJRJCAKOW-LPHOPBHVSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC3CCCC3)C2)CC1 ZINC001044336130 1232880420 /nfs/dbraw/zinc/88/04/20/1232880420.db2.gz YKUCPHPRLANDBG-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001045089247 1233495225 /nfs/dbraw/zinc/49/52/25/1233495225.db2.gz DQRLPFQQYSYQKC-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001054894024 1249317929 /nfs/dbraw/zinc/31/79/29/1249317929.db2.gz NALUCCNHWCDYNR-MLGOLLRUSA-N 2 0 345.834 2.070 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](F)CC)CC1 ZINC001045895890 1234127686 /nfs/dbraw/zinc/12/76/86/1234127686.db2.gz RYXUAUWCHZISMU-OTWHNJEPSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960562 1234235582 /nfs/dbraw/zinc/23/55/82/1234235582.db2.gz MPYRLEKGEORYGD-FQEVSTJZSA-N 2 0 343.471 2.293 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046942523 1235336019 /nfs/dbraw/zinc/33/60/19/1235336019.db2.gz KEGUUOZEQGCARD-HZPDHXFCSA-N 2 0 343.462 2.224 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001000336231 1240181903 /nfs/dbraw/zinc/18/19/03/1240181903.db2.gz ZMHJUARZTBVBJL-UHFFFAOYSA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000741761 1240834322 /nfs/dbraw/zinc/83/43/22/1240834322.db2.gz GCNLIPNMVBOPGP-UHFFFAOYSA-N 2 0 331.485 2.195 20 30 EEEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001001075431 1241586849 /nfs/dbraw/zinc/58/68/49/1241586849.db2.gz ILFZBXDBLWEBOC-IBGZPJMESA-N 2 0 329.488 2.165 20 30 EEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794352 1241994077 /nfs/dbraw/zinc/99/40/77/1241994077.db2.gz RHWAVGXWWJWNJQ-UHFFFAOYSA-N 2 0 327.472 2.180 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791091 1242195047 /nfs/dbraw/zinc/19/50/47/1242195047.db2.gz PQRLKMJNOVMJET-VQTJNVASSA-N 2 0 339.483 2.450 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001050700424 1244155734 /nfs/dbraw/zinc/15/57/34/1244155734.db2.gz HJGWTMUKIZVOHH-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701276 1244784412 /nfs/dbraw/zinc/78/44/12/1244784412.db2.gz CALFXXHCSJBBRT-QFBILLFUSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)CC2)CC1 ZINC001052953781 1245545292 /nfs/dbraw/zinc/54/52/92/1245545292.db2.gz HYSMRLXVMPCDPQ-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254717 1246778540 /nfs/dbraw/zinc/77/85/40/1246778540.db2.gz OJMSLYGVNBJGMV-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384995 1247167622 /nfs/dbraw/zinc/16/76/22/1247167622.db2.gz FODQLUZYVZDHHK-CVEARBPZSA-N 2 0 325.884 2.051 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052425642 1247253713 /nfs/dbraw/zinc/25/37/13/1247253713.db2.gz AFXLVHBVLUJGRN-INIZCTEOSA-N 2 0 333.501 2.417 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134565 1247488695 /nfs/dbraw/zinc/48/86/95/1247488695.db2.gz HXGVAZGSRHJANI-JFIYKMOQSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142517 1247509843 /nfs/dbraw/zinc/50/98/43/1247509843.db2.gz FBHBHXKDYKYJNA-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245089 1247861099 /nfs/dbraw/zinc/86/10/99/1247861099.db2.gz OOIXFPCFXSAZCV-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071198756 1254044461 /nfs/dbraw/zinc/04/44/61/1254044461.db2.gz DLBRADNUUMBKAN-YLJYHZDGSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001074877665 1257184937 /nfs/dbraw/zinc/18/49/37/1257184937.db2.gz GCYZNXFOZJJGML-GJYPPUQNSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099240564 1258029451 /nfs/dbraw/zinc/02/94/51/1258029451.db2.gz SKFHNFQWUWIVDN-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001099257436 1258043779 /nfs/dbraw/zinc/04/37/79/1258043779.db2.gz FMVPXWDDSBDRNO-INIZCTEOSA-N 2 0 330.476 2.247 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001099553712 1258203014 /nfs/dbraw/zinc/20/30/14/1258203014.db2.gz VSEIJVIYHUVJHD-RDGPPVDQSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582873 1258227653 /nfs/dbraw/zinc/22/76/53/1258227653.db2.gz DEZPFJNHCBJUOY-KRWDZBQOSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001100829625 1259311520 /nfs/dbraw/zinc/31/15/20/1259311520.db2.gz DFEDMUIPYRGLST-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081745 1278134614 /nfs/dbraw/zinc/13/46/14/1278134614.db2.gz RFUGTORPGSQXCZ-SJORKVTESA-N 2 0 339.524 2.326 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299001 1278314965 /nfs/dbraw/zinc/31/49/65/1278314965.db2.gz SILGKGBNIMILEZ-HZPDHXFCSA-N 2 0 342.487 2.273 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188189628 1279787215 /nfs/dbraw/zinc/78/72/15/1279787215.db2.gz OFQPCELXOOSEDO-IPMKNSEASA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001190818099 1281091247 /nfs/dbraw/zinc/09/12/47/1281091247.db2.gz OBTPGNDOPLUPDE-ZWKOTPCHSA-N 2 0 348.491 2.206 20 30 EEEDRP C#Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001273674665 1282969924 /nfs/dbraw/zinc/96/99/24/1282969924.db2.gz WPYYCSRGCNWPLW-UHFFFAOYSA-N 2 0 339.483 2.044 20 30 EEEDRP C=CCCC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886031 1285412830 /nfs/dbraw/zinc/41/28/30/1285412830.db2.gz XFCBCUOMCFTATR-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001202503926 1294900728 /nfs/dbraw/zinc/90/07/28/1294900728.db2.gz PWNLZQQBGQFCHJ-SFHVURJKSA-N 2 0 325.472 2.356 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574705 1296092939 /nfs/dbraw/zinc/09/29/39/1296092939.db2.gz LDLYVPLLCAHUEU-RTBURBONSA-N 2 0 345.487 2.143 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222088931 1299340733 /nfs/dbraw/zinc/34/07/33/1299340733.db2.gz ZSSUQBYRPOBQLR-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)CC1 ZINC001230251980 1303128565 /nfs/dbraw/zinc/12/85/65/1303128565.db2.gz UHIPYMCMFOGIRB-RQJZHBNNSA-N 2 0 337.895 2.101 20 30 EEEDRP C=CC[NH+](CCCNC(=O)C[N@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846464 1303497550 /nfs/dbraw/zinc/49/75/50/1303497550.db2.gz KNOZIEBRTFYXCS-QGZVFWFLSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCCCC1 ZINC001115571665 1305392298 /nfs/dbraw/zinc/39/22/98/1305392298.db2.gz JPYYMJALEXACIZ-GOSISDBHSA-N 2 0 349.519 2.225 20 30 EEEDRP Cc1nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001240343220 1309308814 /nfs/dbraw/zinc/30/88/14/1309308814.db2.gz JSJPCKLNDAGQLP-HNNXBMFYSA-N 2 0 333.439 2.478 20 30 EEEDRP C[NH+]1CCN(c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cn2)CC1 ZINC001240350929 1309309907 /nfs/dbraw/zinc/30/99/07/1309309907.db2.gz HYANIEYDRJFDNL-UHFFFAOYSA-N 2 0 333.439 2.059 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1CCC2(CCC[NH2+]C2)CC1 ZINC001246314670 1310279803 /nfs/dbraw/zinc/27/98/03/1310279803.db2.gz YUQOUKSTNBLOFT-HFCFLWKCSA-N 2 0 337.508 2.115 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001140389319 1314882161 /nfs/dbraw/zinc/88/21/61/1314882161.db2.gz RRUMAEFXOLBNAY-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP CSc1nc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N ZINC001141941432 1315393897 /nfs/dbraw/zinc/39/38/97/1315393897.db2.gz JLQLSOYHTGDUHM-UHFFFAOYSA-N 2 0 349.548 2.381 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847707 1316064908 /nfs/dbraw/zinc/06/49/08/1316064908.db2.gz HVXYRAFTEOJSTK-DLBZAZTESA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001151129074 1316454758 /nfs/dbraw/zinc/45/47/58/1316454758.db2.gz WZFJZHBPHJIDAL-KRWDZBQOSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001151352309 1316511169 /nfs/dbraw/zinc/51/11/69/1316511169.db2.gz XPRIIXRQSPTKNY-ZWKOTPCHSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C[NH+](CC)CC)CC1 ZINC001151363062 1316513294 /nfs/dbraw/zinc/51/32/94/1316513294.db2.gz MZPGHMSNFXXXSV-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC001152330934 1316657474 /nfs/dbraw/zinc/65/74/74/1316657474.db2.gz XWOPUPMSGYSNRV-UHFFFAOYSA-N 2 0 339.483 2.115 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034177 1316942035 /nfs/dbraw/zinc/94/20/35/1316942035.db2.gz UVJJGNJRIOXRDO-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC001155900217 1317781287 /nfs/dbraw/zinc/78/12/87/1317781287.db2.gz HGAQTWUKQSMNES-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1 ZINC001155900532 1317781992 /nfs/dbraw/zinc/78/19/92/1317781992.db2.gz XGKGNWJMNXCXDC-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)s1 ZINC001155900487 1317782202 /nfs/dbraw/zinc/78/22/02/1317782202.db2.gz VJVDRAMOMKAMAA-CQSZACIVSA-N 2 0 336.505 2.288 20 30 EEEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663488 1318160983 /nfs/dbraw/zinc/16/09/83/1318160983.db2.gz CBTMYJVYKKKBEU-RSPOEFSDSA-N 2 0 340.471 2.297 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290098 1319146899 /nfs/dbraw/zinc/14/68/99/1319146899.db2.gz XFPNQLNCOUUUOA-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C2(CCCC2)C1 ZINC001158403841 1319221682 /nfs/dbraw/zinc/22/16/82/1319221682.db2.gz FMYZOUBOKUVGKK-UHFFFAOYSA-N 2 0 325.460 2.054 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159908243 1320017351 /nfs/dbraw/zinc/01/73/51/1320017351.db2.gz HPVBIONDOFJEIX-FQEVSTJZSA-N 2 0 341.499 2.397 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131246 1320078573 /nfs/dbraw/zinc/07/85/73/1320078573.db2.gz IKEFZZLWYNHLNJ-MOPGFXCFSA-N 2 0 329.488 2.023 20 30 EEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161151036 1320402453 /nfs/dbraw/zinc/40/24/53/1320402453.db2.gz QAEMLTJSEPXGRB-FQEVSTJZSA-N 2 0 341.499 2.336 20 30 EEEDRP Cc1c(C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)ccc2c[nH+]cn21 ZINC001161558616 1320537473 /nfs/dbraw/zinc/53/74/73/1320537473.db2.gz KOAPAHJKLQOGFN-UHFFFAOYSA-N 2 0 347.422 2.424 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001162982728 1321004355 /nfs/dbraw/zinc/00/43/55/1321004355.db2.gz MNDCDCLNTMDPHO-LJQANCHMSA-N 2 0 329.488 2.175 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001164449694 1321382254 /nfs/dbraw/zinc/38/22/54/1321382254.db2.gz QEBRBCUKYLLQKH-OAHLLOKOSA-N 2 0 348.516 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771406 1321958054 /nfs/dbraw/zinc/95/80/54/1321958054.db2.gz NKZXTEQIOOHFGJ-RBUKOAKNSA-N 2 0 343.515 2.315 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205752211 1323285646 /nfs/dbraw/zinc/28/56/46/1323285646.db2.gz XPHRQCNCIUVOSX-KRWDZBQOSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209714800 1325019978 /nfs/dbraw/zinc/01/99/78/1325019978.db2.gz CFEZXCNHQISLFK-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209939376 1325104938 /nfs/dbraw/zinc/10/49/38/1325104938.db2.gz DBEZTOIPFSWMPL-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200722387 1338550199 /nfs/dbraw/zinc/55/01/99/1338550199.db2.gz WJKQWAZPKSMFRM-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)COCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849089752 1338836483 /nfs/dbraw/zinc/83/64/83/1338836483.db2.gz GGNWJAGQJSVAQR-UHFFFAOYSA-N 2 0 330.476 2.358 20 30 EEEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH+]3CCCC3)c1)C2 ZINC001580043849 1344456254 /nfs/dbraw/zinc/45/62/54/1344456254.db2.gz RODLVWUUUHTZMR-GNZRSQJKSA-N 2 0 338.455 2.360 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCCC[NH2+]3)CC2)c1 ZINC001647255716 1353208807 /nfs/dbraw/zinc/20/88/07/1353208807.db2.gz CWWVPPSPSQWHTI-IBGZPJMESA-N 2 0 340.471 2.171 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001134776446 1367782016 /nfs/dbraw/zinc/78/20/16/1367782016.db2.gz UBDXRBPSPYEFLI-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557051 1368820072 /nfs/dbraw/zinc/82/00/72/1368820072.db2.gz CJBYYEMRKKLXGP-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557588 1368820094 /nfs/dbraw/zinc/82/00/94/1368820094.db2.gz IKFQDTCKMZLSMG-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001374428614 1376807026 /nfs/dbraw/zinc/80/70/26/1376807026.db2.gz WPYKLNLONSZMOM-LJQANCHMSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001376419704 1378537995 /nfs/dbraw/zinc/53/79/95/1378537995.db2.gz UULAVXJQUVBUCC-OWCLPIDISA-N 2 0 327.900 2.250 20 30 EEEDRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001377077912 1378964384 /nfs/dbraw/zinc/96/43/84/1378964384.db2.gz CWRCUIAXMSMZRJ-QGZVFWFLSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001379169132 1380611358 /nfs/dbraw/zinc/61/13/58/1380611358.db2.gz JCZHDWBXGHAAQJ-JKSUJKDBSA-N 2 0 327.900 2.489 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361679 1382088585 /nfs/dbraw/zinc/08/85/85/1382088585.db2.gz QIWYQKDCTPFWIM-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001382581696 1382138117 /nfs/dbraw/zinc/13/81/17/1382138117.db2.gz HWCBYSGVVJOGTM-UHFFFAOYSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392050 1390424442 /nfs/dbraw/zinc/42/44/42/1390424442.db2.gz QEJQNSRBUUPSBI-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001401189378 1397023149 /nfs/dbraw/zinc/02/31/49/1397023149.db2.gz RKPSPLFDIRZMDO-AWEZNQCLSA-N 2 0 346.500 2.090 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001754394431 1406903576 /nfs/dbraw/zinc/90/35/76/1406903576.db2.gz AIJPINXIIADFHQ-GOSISDBHSA-N 2 0 348.466 2.222 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754469797 1406914589 /nfs/dbraw/zinc/91/45/89/1406914589.db2.gz FZZVEPLPHVNBRS-MJGOQNOKSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001422598888 1400067367 /nfs/dbraw/zinc/06/73/67/1400067367.db2.gz ICLFSGARINNUKC-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CC[C@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515854 1403521437 /nfs/dbraw/zinc/52/14/37/1403521437.db2.gz AITGKINUKNPJFO-YLJYHZDGSA-N 2 0 327.472 2.159 20 30 EEEDRP C#CC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC001574518487 1403522104 /nfs/dbraw/zinc/52/21/04/1403522104.db2.gz YDMNXONRBUYFOK-ICSRJNTNSA-N 2 0 331.504 2.247 20 30 EEEDRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC001576729767 1403600725 /nfs/dbraw/zinc/60/07/25/1403600725.db2.gz YDUKVBBLPCOKMX-TZMCWYRMSA-N 2 0 334.851 2.457 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001755531460 1407597156 /nfs/dbraw/zinc/59/71/56/1407597156.db2.gz APUZPKJPDGFRFI-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001755655573 1407708048 /nfs/dbraw/zinc/70/80/48/1407708048.db2.gz XSJVXYCHKUZQLR-YLJYHZDGSA-N 2 0 339.483 2.101 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001755852545 1407905302 /nfs/dbraw/zinc/90/53/02/1407905302.db2.gz VTKAFRVZBZYDEW-UONOGXRCSA-N 2 0 335.414 2.273 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051597 1410025207 /nfs/dbraw/zinc/02/52/07/1410025207.db2.gz QZAZQMHHICPAQW-MSOLQXFVSA-N 2 0 345.487 2.202 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038701 1410515239 /nfs/dbraw/zinc/51/52/39/1410515239.db2.gz LTCHHBRXWSGISP-ROUUACIJSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001089863408 782298951 /nfs/dbraw/zinc/29/89/51/782298951.db2.gz ZQCMBPVEFAFMDF-VJANTYMQSA-N 2 0 345.531 2.463 20 30 EEEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001167260770 757594942 /nfs/dbraw/zinc/59/49/42/757594942.db2.gz JDJWFDHTHLDNSI-SFHVURJKSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203203548 759697954 /nfs/dbraw/zinc/69/79/54/759697954.db2.gz NYZKDEOSOORQAE-UHFFFAOYSA-N 2 0 334.489 2.042 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203203582 759698568 /nfs/dbraw/zinc/69/85/68/759698568.db2.gz OQDFYWVZEYWHAQ-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001167641250 760805828 /nfs/dbraw/zinc/80/58/28/760805828.db2.gz WMUUPXRHNFTZBO-UHFFFAOYSA-N 2 0 348.516 2.338 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625655 761226755 /nfs/dbraw/zinc/22/67/55/761226755.db2.gz QJONUPRGRUHXFD-ZWKOTPCHSA-N 2 0 329.488 2.487 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087306401 761554446 /nfs/dbraw/zinc/55/44/46/761554446.db2.gz IMWLSVGQZWLPHR-MISYRCLQSA-N 2 0 345.531 2.347 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105066929 768986511 /nfs/dbraw/zinc/98/65/11/768986511.db2.gz GTJAPNLRICWMFC-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430693 769092983 /nfs/dbraw/zinc/09/29/83/769092983.db2.gz RKRSZFHNWQCQDB-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474768 783005887 /nfs/dbraw/zinc/00/58/87/783005887.db2.gz YVNIVOZVGQAJAZ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210544 783061647 /nfs/dbraw/zinc/06/16/47/783061647.db2.gz PJLVVTYUZKZDNA-UXHICEINSA-N 2 0 339.483 2.165 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861151 778408202 /nfs/dbraw/zinc/40/82/02/778408202.db2.gz DIVIGGNXHABGQZ-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305953 779656062 /nfs/dbraw/zinc/65/60/62/779656062.db2.gz BINWZNCYQGANBK-BWPNAZKDSA-N 2 0 331.504 2.360 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087469605 781318218 /nfs/dbraw/zinc/31/82/18/781318218.db2.gz MOROHXXJLKZUQP-BHIYHBOVSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997725184 790900352 /nfs/dbraw/zinc/90/03/52/790900352.db2.gz CMOVZXGGRBWEPT-HKUYNNGSSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001131834529 783334028 /nfs/dbraw/zinc/33/40/28/783334028.db2.gz AXWNSBIKXFWTPW-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccccc2C#N)CCCC1 ZINC001131837289 783338159 /nfs/dbraw/zinc/33/81/59/783338159.db2.gz ZERXBWIADSYRTL-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001135370822 783659049 /nfs/dbraw/zinc/65/90/49/783659049.db2.gz BDXNBCMGAXEWGG-KBPBESRZSA-N 2 0 334.439 2.022 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233962 784147285 /nfs/dbraw/zinc/14/72/85/784147285.db2.gz QMKMXDZCUNPITB-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245118 784179456 /nfs/dbraw/zinc/17/94/56/784179456.db2.gz KXXSKKKJOWICEE-UHFFFAOYSA-N 2 0 340.471 2.099 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245626 784180227 /nfs/dbraw/zinc/18/02/27/784180227.db2.gz VZJYTWZETHZRKJ-UHFFFAOYSA-N 2 0 340.471 2.099 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035249594 784193438 /nfs/dbraw/zinc/19/34/38/784193438.db2.gz VPKORENDQDTJEW-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP CC1CC[NH+](CC(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001135707112 784294517 /nfs/dbraw/zinc/29/45/17/784294517.db2.gz VOCVXJBXNYRHMD-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960703 784900962 /nfs/dbraw/zinc/90/09/62/784900962.db2.gz GMTIYJPDWAJDDQ-KBPBESRZSA-N 2 0 348.329 2.500 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914957 785837756 /nfs/dbraw/zinc/83/77/56/785837756.db2.gz NAVVQRPKODDGAF-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996711717 787235356 /nfs/dbraw/zinc/23/53/56/787235356.db2.gz KOROLKSJMWHHKV-JKSUJKDBSA-N 2 0 325.884 2.336 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435797 787236473 /nfs/dbraw/zinc/23/64/73/787236473.db2.gz APSIXBHQPJYEQF-NLWGTHIKSA-N 2 0 331.504 2.243 20 30 EEEDRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000187055888 788535697 /nfs/dbraw/zinc/53/56/97/788535697.db2.gz HHCSOWJRQPKUFG-KRWDZBQOSA-N 2 0 332.517 2.261 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904325 789621825 /nfs/dbraw/zinc/62/18/25/789621825.db2.gz BGWGLOZQNVNOKV-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)CC1 ZINC000997366018 789739190 /nfs/dbraw/zinc/73/91/90/789739190.db2.gz XNXLEHUDVJLROH-UHFFFAOYSA-N 2 0 345.512 2.174 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001147359116 791799619 /nfs/dbraw/zinc/79/96/19/791799619.db2.gz LLTWPGZRMPOIQN-QGZVFWFLSA-N 2 0 348.516 2.480 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001147825800 791985111 /nfs/dbraw/zinc/98/51/11/791985111.db2.gz RUJYSFASNAHLGG-WBVHZDCISA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000998309014 792526047 /nfs/dbraw/zinc/52/60/47/792526047.db2.gz BTZUKMMWSFWQGI-GJZGRUSLSA-N 2 0 347.425 2.417 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611905 792559800 /nfs/dbraw/zinc/55/98/00/792559800.db2.gz RKPOVTVJBNMABH-LJQANCHMSA-N 2 0 339.483 2.237 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942305 793033334 /nfs/dbraw/zinc/03/33/34/793033334.db2.gz NQROPLVGUHRJOG-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091808163 793279403 /nfs/dbraw/zinc/27/94/03/793279403.db2.gz ZXNDZJIBCXHJBD-UZLBHIALSA-N 2 0 336.439 2.060 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001112540311 794131639 /nfs/dbraw/zinc/13/16/39/794131639.db2.gz POZQFJQGOUVWHB-ZJOUEHCJSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782607 794361544 /nfs/dbraw/zinc/36/15/44/794361544.db2.gz RUZGVXUTCQKEBO-IUODEOHRSA-N 2 0 332.835 2.385 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992504043 794433475 /nfs/dbraw/zinc/43/34/75/794433475.db2.gz GAWCYIOWCOLCCO-TZIWHRDSSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC000992510053 794453727 /nfs/dbraw/zinc/45/37/27/794453727.db2.gz OJENNPQOPALIDL-ICSRJNTNSA-N 2 0 329.488 2.021 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1c1ccccc1F ZINC001079319797 794575647 /nfs/dbraw/zinc/57/56/47/794575647.db2.gz PLVYTAPNBBJHEA-MAUKXSAKSA-N 2 0 342.418 2.170 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755151 794786077 /nfs/dbraw/zinc/78/60/77/794786077.db2.gz ROYBFQRVAPYMEW-APWZRJJASA-N 2 0 336.439 2.202 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001108010045 795502293 /nfs/dbraw/zinc/50/22/93/795502293.db2.gz LOONKSFJBHHXOO-PKOBYXMFSA-N 2 0 348.491 2.254 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1ccccc1 ZINC001081118488 796659173 /nfs/dbraw/zinc/65/91/73/796659173.db2.gz GWCZTOUVMDNTBS-VNTMZGSJSA-N 2 0 341.499 2.487 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001094966897 797137225 /nfs/dbraw/zinc/13/72/25/797137225.db2.gz FDXXPYNYHCOIIB-UHOSZYNNSA-N 2 0 339.483 2.007 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC[NH+](C)C ZINC001175049335 797977873 /nfs/dbraw/zinc/97/78/73/797977873.db2.gz TYFBNAHTFOADDT-HNNXBMFYSA-N 2 0 348.466 2.414 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175295528 798051536 /nfs/dbraw/zinc/05/15/36/798051536.db2.gz GMBVBYXKODBRPD-SFHVURJKSA-N 2 0 329.488 2.059 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346259 798160117 /nfs/dbraw/zinc/16/01/17/798160117.db2.gz DHZHCVFEVCBDMS-QWFCFKBJSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401544 798383975 /nfs/dbraw/zinc/38/39/75/798383975.db2.gz VFIODIKJKDABIX-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401617 798384637 /nfs/dbraw/zinc/38/46/37/798384637.db2.gz VVHLPCZLMXRMJC-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CCCCCC3)C2)CC1 ZINC001031436641 798398762 /nfs/dbraw/zinc/39/87/62/798398762.db2.gz LHEYFNHSJYAHPY-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001179655334 800022890 /nfs/dbraw/zinc/02/28/90/800022890.db2.gz WIRUQDZXXGBDKW-UXHICEINSA-N 2 0 341.499 2.231 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352879 800374238 /nfs/dbraw/zinc/37/42/38/800374238.db2.gz XKUCGMDMXUTYSJ-HDICACEKSA-N 2 0 339.524 2.328 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001183510326 801632247 /nfs/dbraw/zinc/63/22/47/801632247.db2.gz WBAZARMXBILPBM-DYESRHJHSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC001184331132 801988064 /nfs/dbraw/zinc/98/80/64/801988064.db2.gz IIQYEOSUACPTRP-HZPDHXFCSA-N 2 0 330.476 2.307 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001184883658 802224988 /nfs/dbraw/zinc/22/49/88/802224988.db2.gz WJGNLJSSJHHUFD-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621008 802255300 /nfs/dbraw/zinc/25/53/00/802255300.db2.gz GLVYMKKQBMAMNX-HSALFYBXSA-N 2 0 345.531 2.158 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004522562 802284527 /nfs/dbraw/zinc/28/45/27/802284527.db2.gz LLUYICGPNAXPBF-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001185072767 802336729 /nfs/dbraw/zinc/33/67/29/802336729.db2.gz KGFQGPSDULKTFJ-ICSRJNTNSA-N 2 0 341.499 2.064 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004596532 802450234 /nfs/dbraw/zinc/45/02/34/802450234.db2.gz MWZOLOBQVOPHML-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946643056 802553414 /nfs/dbraw/zinc/55/34/14/802553414.db2.gz ZKTOLGGOBNLHKC-YRPNKDGESA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662791 802723726 /nfs/dbraw/zinc/72/37/26/802723726.db2.gz OHHXHEZNHQMCIA-HDICACEKSA-N 2 0 331.504 2.361 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808720 804084348 /nfs/dbraw/zinc/08/43/48/804084348.db2.gz DHAQLQQFWXXCNM-QFBILLFUSA-N 2 0 342.487 2.417 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437026002 1088826081 /nfs/dbraw/zinc/82/60/81/1088826081.db2.gz ZJUITKLVKFDPAZ-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001437087534 1089035937 /nfs/dbraw/zinc/03/59/37/1089035937.db2.gz FLPLYRBXBAAHBO-UHFFFAOYSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001437320803 1089482472 /nfs/dbraw/zinc/48/24/72/1089482472.db2.gz BNSKAKYTNOGECW-UONOGXRCSA-N 2 0 346.313 2.254 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441932617 1096122897 /nfs/dbraw/zinc/12/28/97/1096122897.db2.gz PJAMBCBYOILQGM-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001444863982 1099858427 /nfs/dbraw/zinc/85/84/27/1099858427.db2.gz FBGOTJOHZFDMKF-GOSISDBHSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001445105373 1100330364 /nfs/dbraw/zinc/33/03/64/1100330364.db2.gz GDNVDVDDTNHPDW-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001480536126 1100364810 /nfs/dbraw/zinc/36/48/10/1100364810.db2.gz CFPBJCFGGQAOKL-OAHLLOKOSA-N 2 0 330.476 2.130 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953651 1101651084 /nfs/dbraw/zinc/65/10/84/1101651084.db2.gz SVODNXMEYHETEP-LSDHHAIUSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001480708777 1106930321 /nfs/dbraw/zinc/93/03/21/1106930321.db2.gz QQIPLFRJDOCHIA-KBPBESRZSA-N 2 0 346.313 2.254 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001507293176 1115177430 /nfs/dbraw/zinc/17/74/30/1115177430.db2.gz PHKGVYKMFULASP-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000053095311 214163902 /nfs/dbraw/zinc/16/39/02/214163902.db2.gz BFKJRQDVYNYUOI-UHFFFAOYSA-N 2 0 334.467 2.466 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442881787 267058902 /nfs/dbraw/zinc/05/89/02/267058902.db2.gz NZPZKKYVZVNLHV-SFHVURJKSA-N 2 0 331.460 2.500 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N ZINC000564547444 319090378 /nfs/dbraw/zinc/09/03/78/319090378.db2.gz IQZCLRPRSSKYLO-PKOBYXMFSA-N 2 0 329.444 2.285 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000119954931 462945004 /nfs/dbraw/zinc/94/50/04/462945004.db2.gz XBMWEIWSPOUHSJ-QGZVFWFLSA-N 2 0 336.524 2.304 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448640 463293246 /nfs/dbraw/zinc/29/32/46/463293246.db2.gz FCJYMSWXSYFYPJ-YLJYHZDGSA-N 2 0 339.483 2.111 20 30 EEEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000071124262 463409229 /nfs/dbraw/zinc/40/92/29/463409229.db2.gz OAZVVPRGRBALOU-MRXNPFEDSA-N 2 0 330.476 2.379 20 30 EEEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261937457 463905899 /nfs/dbraw/zinc/90/58/99/463905899.db2.gz CSXZXGBFPUVKBN-NVXWUHKLSA-N 2 0 342.491 2.036 20 30 EEEDRP C=CCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1OC ZINC000289530635 464083596 /nfs/dbraw/zinc/08/35/96/464083596.db2.gz VZSDPMHLJUEEAM-UHFFFAOYSA-N 2 0 347.503 2.329 20 30 EEEDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605891 464391548 /nfs/dbraw/zinc/39/15/48/464391548.db2.gz HEZWQDTWUATXTC-GOSISDBHSA-N 2 0 331.460 2.104 20 30 EEEDRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000593882916 468420303 /nfs/dbraw/zinc/42/03/03/468420303.db2.gz NNFPPPTZCACAEU-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380221 466733469 /nfs/dbraw/zinc/73/34/69/466733469.db2.gz HCGGSUZKQXLOAZ-IUODEOHRSA-N 2 0 326.366 2.045 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000417527174 466877117 /nfs/dbraw/zinc/87/71/17/466877117.db2.gz MTVLYCMCGHQVFU-GOSISDBHSA-N 2 0 330.476 2.198 20 30 EEEDRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc21 ZINC000424144252 466990061 /nfs/dbraw/zinc/99/00/61/466990061.db2.gz KVZJLZZVDUDTAQ-MRXNPFEDSA-N 2 0 327.432 2.163 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000424157146 466992903 /nfs/dbraw/zinc/99/29/03/466992903.db2.gz PJDQPLGRFZYPLC-MRXNPFEDSA-N 2 0 334.489 2.097 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488801918 468105887 /nfs/dbraw/zinc/10/58/87/468105887.db2.gz QIHFBELFBBBEFR-SOLBZPMBSA-N 2 0 334.508 2.009 20 30 EEEDRP C=CCn1cccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000488985618 468114626 /nfs/dbraw/zinc/11/46/26/468114626.db2.gz RIRWSSCPJHIHQL-KRWDZBQOSA-N 2 0 332.492 2.162 20 30 EEEDRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c2)CC1 ZINC000567789110 468210846 /nfs/dbraw/zinc/21/08/46/468210846.db2.gz VPWOPBQMRHFGJL-KRWDZBQOSA-N 2 0 343.475 2.097 20 30 EEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600718257 468631745 /nfs/dbraw/zinc/63/17/45/468631745.db2.gz WOHDEMLWXMSEHG-IEBWSBKVSA-N 2 0 345.487 2.400 20 30 EEEDRP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602535588 469353515 /nfs/dbraw/zinc/35/35/15/469353515.db2.gz QOKKWIUKJIQXDP-MOPGFXCFSA-N 2 0 342.487 2.377 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000763946988 577728402 /nfs/dbraw/zinc/72/84/02/577728402.db2.gz ZLYOTSVISZIZQP-QGZVFWFLSA-N 2 0 331.460 2.066 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637002 676292471 /nfs/dbraw/zinc/29/24/71/676292471.db2.gz VVIPSELAWKLMHS-APWZRJJASA-N 2 0 336.439 2.284 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022166098 676713315 /nfs/dbraw/zinc/71/33/15/676713315.db2.gz KNWHXCPDDLCTIB-OTWHNJEPSA-N 2 0 340.471 2.169 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022713818 678307392 /nfs/dbraw/zinc/30/73/92/678307392.db2.gz MWAGFVVHBQOGQX-DVOMOZLQSA-N 2 0 331.863 2.188 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023124870 679134930 /nfs/dbraw/zinc/13/49/30/679134930.db2.gz LSRMDYWIXZKXJR-STEAMIEHSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)C)CC1 ZINC001024812429 681465571 /nfs/dbraw/zinc/46/55/71/681465571.db2.gz OSTMLZFHKNCRAT-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241452 682300473 /nfs/dbraw/zinc/30/04/73/682300473.db2.gz XNVGQBOGCOBXPX-QZTJIDSGSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+]2CCF)CC1 ZINC001025302127 682408457 /nfs/dbraw/zinc/40/84/57/682408457.db2.gz RWCPOWPHBLSHMF-RTBURBONSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451522 682785946 /nfs/dbraw/zinc/78/59/46/682785946.db2.gz HRHSLUNXAUAINL-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978843549 693942152 /nfs/dbraw/zinc/94/21/52/693942152.db2.gz FTQXIPZEFFMETP-LDLYASANSA-N 2 0 327.472 2.232 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262474365 686265749 /nfs/dbraw/zinc/26/57/49/686265749.db2.gz ZMPCEFNQIMHBQO-FJIDUMEYSA-N 2 0 348.535 2.183 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978907276 694008112 /nfs/dbraw/zinc/00/81/12/694008112.db2.gz NAPSGXFCUZGJDS-OSYLJGHBSA-N 2 0 339.911 2.153 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029843603 687297900 /nfs/dbraw/zinc/29/79/00/687297900.db2.gz KSFVSROZUIQERW-LPHOPBHVSA-N 2 0 342.487 2.179 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000985655956 687404546 /nfs/dbraw/zinc/40/45/46/687404546.db2.gz KKTGCSSITXRXBN-IBGZPJMESA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(CC)CC)C[C@H]32)CC1 ZINC000979088868 694170720 /nfs/dbraw/zinc/17/07/20/694170720.db2.gz NPYUFHIJVKWDHS-OWZKRDHZSA-N 2 0 345.531 2.062 20 30 EEEDRP CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262759045 688380434 /nfs/dbraw/zinc/38/04/34/688380434.db2.gz FKROGDGHQBJUSK-KRWDZBQOSA-N 2 0 347.507 2.360 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833791 688989196 /nfs/dbraw/zinc/98/91/96/688989196.db2.gz ZSCBTKKTUBVSAY-DYVFJYSZSA-N 2 0 346.500 2.041 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833806 688989333 /nfs/dbraw/zinc/98/93/33/688989333.db2.gz ZSCBTKKTUBVSAY-GUYCJALGSA-N 2 0 346.500 2.041 20 30 EEEDRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000263051691 691334147 /nfs/dbraw/zinc/33/41/47/691334147.db2.gz DNAVBVABFWAFEZ-AWEZNQCLSA-N 2 0 332.448 2.306 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664065 693170850 /nfs/dbraw/zinc/17/08/50/693170850.db2.gz SSQILJFQKVBRAS-HFSMHLIXSA-N 2 0 343.515 2.387 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@@H+](C)CCC)CCO2 ZINC001105485392 1188101997 /nfs/dbraw/zinc/10/19/97/1188101997.db2.gz GLFWRLZOWGQZKQ-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574710 1188188717 /nfs/dbraw/zinc/18/87/17/1188188717.db2.gz FQJNIDASAMESGH-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105575046 1188189084 /nfs/dbraw/zinc/18/90/84/1188189084.db2.gz PTUUXIFYYNIXEW-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)CN(C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409591142 1190073077 /nfs/dbraw/zinc/07/30/77/1190073077.db2.gz SZHGRRMABPYULQ-CYBMUJFWSA-N 2 0 333.823 2.070 20 30 EEEDRP C#CCN1CC[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039351 1194343905 /nfs/dbraw/zinc/34/39/05/1194343905.db2.gz OWVMAWBPAVEJHW-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365964 1194481109 /nfs/dbraw/zinc/48/11/09/1194481109.db2.gz RWSGHTQTZIAXRN-MOPGFXCFSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)CC1 ZINC001034538858 1196362308 /nfs/dbraw/zinc/36/23/08/1196362308.db2.gz SRGMIFJIVZQKQL-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001034792040 1196734781 /nfs/dbraw/zinc/73/47/81/1196734781.db2.gz CQAGXOFJMOBVKK-RBSFLKMASA-N 2 0 346.500 2.088 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000872222802 1198096134 /nfs/dbraw/zinc/09/61/34/1198096134.db2.gz FGIBBRFBEQARAW-IBGZPJMESA-N 2 0 345.487 2.398 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126518 1199334628 /nfs/dbraw/zinc/33/46/28/1199334628.db2.gz VPSICQCISBISOH-UHOSZYNNSA-N 2 0 329.488 2.392 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@H]1C ZINC001132310910 1199561459 /nfs/dbraw/zinc/56/14/59/1199561459.db2.gz PYSCJVPASZINMF-QUCCMNQESA-N 2 0 341.499 2.153 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613937 1199690639 /nfs/dbraw/zinc/69/06/39/1199690639.db2.gz YYGYXYQCQFHXHS-JKSUJKDBSA-N 2 0 342.487 2.415 20 30 EEEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCCCCC1 ZINC000126064684 1199694010 /nfs/dbraw/zinc/69/40/10/1199694010.db2.gz OYJHUZJHTKCENA-UHFFFAOYSA-N 2 0 344.503 2.334 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728908 1199775718 /nfs/dbraw/zinc/77/57/18/1199775718.db2.gz CWYXVUZQZOABQG-GJZGRUSLSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132932447 1200209733 /nfs/dbraw/zinc/20/97/33/1200209733.db2.gz JPUJFUPKTXOKSS-SJORKVTESA-N 2 0 330.476 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCCC)C2)CC1 ZINC001133336538 1200759564 /nfs/dbraw/zinc/75/95/64/1200759564.db2.gz BVQVNXWVBZGLSL-MJGOQNOKSA-N 2 0 333.520 2.206 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)nc1 ZINC001275032371 1205239195 /nfs/dbraw/zinc/23/91/95/1205239195.db2.gz NSTPSXGJCDELTI-UHFFFAOYSA-N 2 0 336.443 2.164 20 30 EEEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001275959619 1205603568 /nfs/dbraw/zinc/60/35/68/1205603568.db2.gz FZUMOYYKMFPXCK-PMACEKPBSA-N 2 0 329.488 2.462 20 30 EEEDRP C=CCNC(=O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925978556 1206177506 /nfs/dbraw/zinc/17/75/06/1206177506.db2.gz DVCVZASDEAYZIH-YQQQUEKLSA-N 2 0 327.472 2.464 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001111040710 1207676463 /nfs/dbraw/zinc/67/64/63/1207676463.db2.gz XOQIUYMKAGULIA-HHARLNAUSA-N 2 0 328.460 2.211 20 30 EEEDRP CCc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000303783205 1213905464 /nfs/dbraw/zinc/90/54/64/1213905464.db2.gz NZVBFRJUKKQODD-RTBURBONSA-N 3 0 345.535 2.240 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000305701460 1216989666 /nfs/dbraw/zinc/98/96/66/1216989666.db2.gz PRBTWUIBFSVIDS-RDJZCZTQSA-N 2 0 332.492 2.262 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224933 1217097126 /nfs/dbraw/zinc/09/71/26/1217097126.db2.gz FJLWFMNVTLWFBH-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261134 1217116109 /nfs/dbraw/zinc/11/61/09/1217116109.db2.gz MTGCRFIOFDSYBF-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293306 1217132330 /nfs/dbraw/zinc/13/23/30/1217132330.db2.gz NVVGZEOERYYBQG-PMACEKPBSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000963809205 1218050375 /nfs/dbraw/zinc/05/03/75/1218050375.db2.gz XMQAUJQLPJPPBZ-GUYFDXGHSA-N 2 0 343.515 2.291 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000965816822 1219264328 /nfs/dbraw/zinc/26/43/28/1219264328.db2.gz UTBWBOFBIHCWLM-QAELIBMJSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC ZINC001037885683 1219973018 /nfs/dbraw/zinc/97/30/18/1219973018.db2.gz JJLVYZUOXCJIRP-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680643 1221486748 /nfs/dbraw/zinc/48/67/48/1221486748.db2.gz CEJBLVXSVMGUPZ-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001007520042 1222274680 /nfs/dbraw/zinc/27/46/80/1222274680.db2.gz WTTJKCSNCFCQBY-PMACEKPBSA-N 2 0 339.483 2.173 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277735 1222731751 /nfs/dbraw/zinc/73/17/51/1222731751.db2.gz VXPSPNKQYJQEGS-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001009626653 1223308275 /nfs/dbraw/zinc/30/82/75/1223308275.db2.gz JVNNQBJJJFTYHR-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001009631417 1223310633 /nfs/dbraw/zinc/31/06/33/1223310633.db2.gz YERTZSSJSCSDGW-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663878 1226748902 /nfs/dbraw/zinc/74/89/02/1226748902.db2.gz VZXFKPXLDGKPOS-QZTJIDSGSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001039041397 1230257129 /nfs/dbraw/zinc/25/71/29/1230257129.db2.gz CGTIVHVUOULLSG-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001039042171 1230258505 /nfs/dbraw/zinc/25/85/05/1230258505.db2.gz MUOVSIVRCVJICO-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CC[N@@H+](CCC)C3)CC2)CC1 ZINC001039181936 1230408547 /nfs/dbraw/zinc/40/85/47/1230408547.db2.gz FJSBJNMDIFFZFG-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247002 1230482162 /nfs/dbraw/zinc/48/21/62/1230482162.db2.gz SONXBQUCEICNDI-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387894 1231200227 /nfs/dbraw/zinc/20/02/27/1231200227.db2.gz GGAONEQDLCKVFI-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776379 1231688562 /nfs/dbraw/zinc/68/85/62/1231688562.db2.gz ANNBRMVEFMOTPA-FQEVSTJZSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041852867 1231733617 /nfs/dbraw/zinc/73/36/17/1231733617.db2.gz YSPZKHYAUYDNGY-FQEVSTJZSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044797132 1233273518 /nfs/dbraw/zinc/27/35/18/1233273518.db2.gz PADHULIMQIXRLK-CVEARBPZSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441249 1233747459 /nfs/dbraw/zinc/74/74/59/1233747459.db2.gz BTLBROSBSBSQPJ-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)CC1 ZINC001045895248 1234127084 /nfs/dbraw/zinc/12/70/84/1234127084.db2.gz BTHOEBJPIQOQSD-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961899 1234238330 /nfs/dbraw/zinc/23/83/30/1234238330.db2.gz UHTHFCBGVJAFRH-ZJOUEHCJSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970195 1234253323 /nfs/dbraw/zinc/25/33/23/1234253323.db2.gz CMNUEBNDOCQSPO-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)CC1 ZINC001045986147 1234281554 /nfs/dbraw/zinc/28/15/54/1234281554.db2.gz IACFPWVIBRWQEV-NRFANRHFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046963984 1235365169 /nfs/dbraw/zinc/36/51/69/1235365169.db2.gz KZKDOVXTZGYSCR-HZPDHXFCSA-N 2 0 343.462 2.368 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226773 1235701490 /nfs/dbraw/zinc/70/14/90/1235701490.db2.gz XHYHFWUGZQIJTA-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047255592 1235758792 /nfs/dbraw/zinc/75/87/92/1235758792.db2.gz BGASKGQXHJISOT-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047255813 1235758799 /nfs/dbraw/zinc/75/87/99/1235758799.db2.gz DONYQDCQAQYGOM-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263224 1235773335 /nfs/dbraw/zinc/77/33/35/1235773335.db2.gz CBLUHLNCZGKWQM-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263497 1235773622 /nfs/dbraw/zinc/77/36/22/1235773622.db2.gz HOOBPVXEAYBVIW-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047265973 1235780162 /nfs/dbraw/zinc/78/01/62/1235780162.db2.gz NATNIHCOXWHPCK-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525114 1237859875 /nfs/dbraw/zinc/85/98/75/1237859875.db2.gz LLZSHGJAZSZEDA-OMZCGLGVSA-N 2 0 343.515 2.243 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048563043 1237972270 /nfs/dbraw/zinc/97/22/70/1237972270.db2.gz TXBOXQGUVDGXKB-USACIQFYSA-N 2 0 339.911 2.296 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574234 1237998184 /nfs/dbraw/zinc/99/81/84/1237998184.db2.gz STMPAQSDNFGQRX-OUUBHVDSSA-N 2 0 343.515 2.386 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001000220048 1240074303 /nfs/dbraw/zinc/07/43/03/1240074303.db2.gz RFKXPUSAUSSMDA-BBRMVZONSA-N 2 0 334.489 2.041 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000317852 1240165489 /nfs/dbraw/zinc/16/54/89/1240165489.db2.gz QWSHQIXCDDUIKC-MJGOQNOKSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482319 1241087228 /nfs/dbraw/zinc/08/72/28/1241087228.db2.gz MLXQRKOBDKJDJO-LVQVYYBASA-N 2 0 325.884 2.144 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514405 1241189267 /nfs/dbraw/zinc/18/92/67/1241189267.db2.gz DQQALFHRAYYBAH-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001000991181 1241392023 /nfs/dbraw/zinc/39/20/23/1241392023.db2.gz HGGAMRHCNIMNMD-SFHVURJKSA-N 2 0 345.512 2.174 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001000993050 1241399372 /nfs/dbraw/zinc/39/93/72/1241399372.db2.gz PRBLEQSOKYXUBF-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820683 1242305250 /nfs/dbraw/zinc/30/52/50/1242305250.db2.gz MEIDMFQQDHBZAQ-MOPGFXCFSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461603 1242504162 /nfs/dbraw/zinc/50/41/62/1242504162.db2.gz GPZWPSBBFHKNQP-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050520082 1243775407 /nfs/dbraw/zinc/77/54/07/1243775407.db2.gz CXFODQAXOHCZDW-MRXNPFEDSA-N 2 0 337.895 2.005 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521987 1243777381 /nfs/dbraw/zinc/77/73/81/1243777381.db2.gz XTUNKCAZCCBHKQ-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001050604746 1243937969 /nfs/dbraw/zinc/93/79/69/1243937969.db2.gz OPYNUAMUXPXQDL-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052789591 1244990474 /nfs/dbraw/zinc/99/04/74/1244990474.db2.gz YUUZNFIMDKBNKL-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054050851 1247240651 /nfs/dbraw/zinc/24/06/51/1247240651.db2.gz NFSAKBXLWISPNC-FQEVSTJZSA-N 2 0 341.499 2.447 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222559 1247760161 /nfs/dbraw/zinc/76/01/61/1247760161.db2.gz DRFPVLZRPUKIKE-NRFANRHFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228717 1247784737 /nfs/dbraw/zinc/78/47/37/1247784737.db2.gz XZBDPTXETULARL-QGZVFWFLSA-N 2 0 337.895 2.149 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC001072848855 1255430261 /nfs/dbraw/zinc/43/02/61/1255430261.db2.gz MGZOPXZPQURLAK-UHFFFAOYSA-N 2 0 330.476 2.427 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115990 1257976314 /nfs/dbraw/zinc/97/63/14/1257976314.db2.gz MHAZLYNHDCITNE-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099262031 1258048073 /nfs/dbraw/zinc/04/80/73/1258048073.db2.gz BMHLMRBFYJKLMT-RBSFLKMASA-N 2 0 347.425 2.414 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099556029 1258205483 /nfs/dbraw/zinc/20/54/83/1258205483.db2.gz FCTMUSRIGUSOBX-MANSERQUSA-N 2 0 333.520 2.462 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100898568 1259410486 /nfs/dbraw/zinc/41/04/86/1259410486.db2.gz NXGVYZDKTZQWLS-UHFFFAOYSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062099 1287259629 /nfs/dbraw/zinc/25/96/29/1287259629.db2.gz HSOXIHRFDDCBTA-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187035163 1279375087 /nfs/dbraw/zinc/37/50/87/1279375087.db2.gz WCQIQUMRONTTAE-MOPGFXCFSA-N 2 0 345.487 2.073 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001188106529 1279766591 /nfs/dbraw/zinc/76/65/91/1279766591.db2.gz LZAJMUCXKTZOIU-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001201321570 1289478888 /nfs/dbraw/zinc/47/88/88/1289478888.db2.gz PRQYEXWPABNTRS-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000852100410 1291993115 /nfs/dbraw/zinc/99/31/15/1291993115.db2.gz XKFRZHIIVOHRAL-FQEVSTJZSA-N 2 0 327.472 2.290 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001211233873 1295772971 /nfs/dbraw/zinc/77/29/71/1295772971.db2.gz QRFCESXNTZVPAQ-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001211267766 1295787431 /nfs/dbraw/zinc/78/74/31/1295787431.db2.gz CHZLRVDHWGAZCW-CQSZACIVSA-N 2 0 334.489 2.041 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598732 1296103606 /nfs/dbraw/zinc/10/36/06/1296103606.db2.gz LRSXGQUYBBYVFB-IAGOWNOFSA-N 2 0 327.513 2.114 20 30 EEEDRP C=C[C@H](CC)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000931254370 1297126105 /nfs/dbraw/zinc/12/61/05/1297126105.db2.gz KTYCGHBUZYTVDH-QGZVFWFLSA-N 2 0 330.476 2.312 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980669 1297344689 /nfs/dbraw/zinc/34/46/89/1297344689.db2.gz ONFNISGJZPKCKK-GDBMZVCRSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049397 1297917849 /nfs/dbraw/zinc/91/78/49/1297917849.db2.gz LYUOJXUZKOBHLS-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C)[NH+](C)C ZINC001074710836 1298268108 /nfs/dbraw/zinc/26/81/08/1298268108.db2.gz HJPZWZZOLUMHTK-DOPJRALCSA-N 2 0 346.450 2.117 20 30 EEEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000780252142 1298703185 /nfs/dbraw/zinc/70/31/85/1298703185.db2.gz WPXQKANRVWQGED-KRWDZBQOSA-N 2 0 330.476 2.320 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899846 1299472545 /nfs/dbraw/zinc/47/25/45/1299472545.db2.gz YZSWAMKDSHUSCL-IAGOWNOFSA-N 2 0 339.524 2.015 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC(C)C)CC1 ZINC001223494913 1300153702 /nfs/dbraw/zinc/15/37/02/1300153702.db2.gz FTKJSSXZEHOVSD-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001225088213 1300885288 /nfs/dbraw/zinc/88/52/88/1300885288.db2.gz XUOXUFCHDADBRT-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372749 1300952142 /nfs/dbraw/zinc/95/21/42/1300952142.db2.gz NNOFSTUNCUWGJM-IIDMSEBBSA-N 2 0 325.472 2.069 20 30 EEEDRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001227048196 1301663675 /nfs/dbraw/zinc/66/36/75/1301663675.db2.gz RSJLUQKLYUGTMO-GUDVDZBRSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103049746 1302129981 /nfs/dbraw/zinc/12/99/81/1302129981.db2.gz CKNHYGZWOOTDDN-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111699 1302249049 /nfs/dbraw/zinc/24/90/49/1302249049.db2.gz JNSPKQAIYLVOCG-BMFZPTHFSA-N 2 0 329.916 2.399 20 30 EEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001112378745 1304507275 /nfs/dbraw/zinc/50/72/75/1304507275.db2.gz BMVFXDSXFLSROL-LNLFQRSKSA-N 2 0 339.499 2.461 20 30 EEEDRP C=CCN1CC[C@@]2(C[N@H+](CCCC[NH3+])C[C@@H]2c2ccccc2)C1=O ZINC001235497475 1305253613 /nfs/dbraw/zinc/25/36/13/1305253613.db2.gz JUQFDBSYBVNMTK-QUCCMNQESA-N 2 0 327.472 2.229 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571938 1305391451 /nfs/dbraw/zinc/39/14/51/1305391451.db2.gz VXAFSMJDXIBOGG-SFHVURJKSA-N 2 0 333.520 2.396 20 30 EEEDRP C[NH2+]CCCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001122048525 1310208839 /nfs/dbraw/zinc/20/88/39/1310208839.db2.gz ZTVKLGVRIRJJLH-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@@H](CN1CC[NH2+]CC1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246082863 1310231630 /nfs/dbraw/zinc/23/16/30/1310231630.db2.gz YXTDFLFEMPXGAR-DZIBYMRMSA-N 2 0 326.488 2.468 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)CCN1 ZINC001246140905 1310245314 /nfs/dbraw/zinc/24/53/14/1310245314.db2.gz OXHKGAHAHWXRMP-VKJFTORMSA-N 2 0 328.435 2.125 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC001160866296 1320296026 /nfs/dbraw/zinc/29/60/26/1320296026.db2.gz AMPYTYPYFBGDDG-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001151174531 1316466656 /nfs/dbraw/zinc/46/66/56/1316466656.db2.gz DKTCLHZSLTZSGT-ROUUACIJSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001151415317 1316528548 /nfs/dbraw/zinc/52/85/48/1316528548.db2.gz NEPYYVOMVHAFJZ-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(CCC)cc2)CC1 ZINC001152324731 1316657003 /nfs/dbraw/zinc/65/70/03/1316657003.db2.gz ZJOAVUUMZVALME-UHFFFAOYSA-N 2 0 341.499 2.190 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC2CCCCCC2)CC1 ZINC001152330768 1316657765 /nfs/dbraw/zinc/65/77/65/1316657765.db2.gz USOJIWIXBMJQAD-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001253580728 1317886714 /nfs/dbraw/zinc/88/67/14/1317886714.db2.gz FFPARHHRJPNXNP-LJQANCHMSA-N 2 0 330.472 2.209 20 30 EEEDRP N#Cc1cc(C2C[NH2+]C2)cc(N(c2ccc(N)cn2)C2CC[NH2+]CC2)c1 ZINC001159322131 1319736379 /nfs/dbraw/zinc/73/63/79/1319736379.db2.gz JZSHIFDEDRLZHD-UHFFFAOYSA-N 2 0 348.454 2.112 20 30 EEEDRP N#Cc1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159455725 1319816636 /nfs/dbraw/zinc/81/66/36/1319816636.db2.gz JLGAJAIPGKUQQX-UHFFFAOYSA-N 2 0 333.439 2.398 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159908714 1320018027 /nfs/dbraw/zinc/01/80/27/1320018027.db2.gz JCJHWJTXWGBFDU-IBGZPJMESA-N 2 0 342.487 2.417 20 30 EEEDRP N#CC1(Nc2ncnc3c2CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100042 1320070434 /nfs/dbraw/zinc/07/04/34/1320070434.db2.gz NRGQBSBEKZMMHC-UHFFFAOYSA-N 2 0 348.454 2.093 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161649464 1320570369 /nfs/dbraw/zinc/57/03/69/1320570369.db2.gz JEDVFTVGFGEGRG-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161649831 1320571244 /nfs/dbraw/zinc/57/12/44/1320571244.db2.gz XXLRQRZEDFUGAQ-HXUWFJFHSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001162934946 1320991104 /nfs/dbraw/zinc/99/11/04/1320991104.db2.gz MIZZOMGWJYABLD-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001163001535 1321009915 /nfs/dbraw/zinc/00/99/15/1321009915.db2.gz IOOSEHNYBQYSHR-UHFFFAOYSA-N 2 0 349.906 2.496 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001164449268 1321381711 /nfs/dbraw/zinc/38/17/11/1321381711.db2.gz GKEUJKQAANRLHM-LJQANCHMSA-N 2 0 342.487 2.276 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCCCC)CC2)CC1 ZINC001206949093 1323734091 /nfs/dbraw/zinc/73/40/91/1323734091.db2.gz PVLUNIBTLLGVDN-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP N#CCCN1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291697 1323927770 /nfs/dbraw/zinc/92/77/70/1323927770.db2.gz UVRQNZHJBIFPJY-UHFFFAOYSA-N 2 0 326.488 2.430 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001207761074 1324133323 /nfs/dbraw/zinc/13/33/23/1324133323.db2.gz GKCHIWNSBMMBPF-DDUZABMNSA-N 2 0 330.476 2.226 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331272 1324430772 /nfs/dbraw/zinc/43/07/72/1324430772.db2.gz PBNKEYJGQLUTLO-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2cccnc2)CC1 ZINC001209183259 1324838407 /nfs/dbraw/zinc/83/84/07/1324838407.db2.gz ARVZBUBHFBEQDK-UHFFFAOYSA-N 2 0 328.504 2.306 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC001335367477 1336367755 /nfs/dbraw/zinc/36/77/55/1336367755.db2.gz MTFIFMOMUOEBMH-ROUUACIJSA-N 2 0 348.487 2.095 20 30 EEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704719 1338536252 /nfs/dbraw/zinc/53/62/52/1338536252.db2.gz PFNJBCYSPJNGGQ-WMZOPIPTSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676169436 1357115426 /nfs/dbraw/zinc/11/54/26/1357115426.db2.gz MDEKCULSTJPMJS-WOJBJXKFSA-N 2 0 341.499 2.253 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001112382144 1371426889 /nfs/dbraw/zinc/42/68/89/1371426889.db2.gz HTRGBFGJFDNGTE-NSHGMRRFSA-N 2 0 331.504 2.102 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443254 1373900357 /nfs/dbraw/zinc/90/03/57/1373900357.db2.gz XYWJHXOKXKGQRB-MOPGFXCFSA-N 2 0 342.487 2.417 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001370827769 1375053061 /nfs/dbraw/zinc/05/30/61/1375053061.db2.gz FCOZVGVEBQPNMM-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC001371365317 1375412948 /nfs/dbraw/zinc/41/29/48/1375412948.db2.gz QIKOWBROMVAIRB-CQSZACIVSA-N 2 0 348.466 2.270 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376154046 1378333605 /nfs/dbraw/zinc/33/36/05/1378333605.db2.gz GAZBNNIIKINZRG-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001378248618 1379819395 /nfs/dbraw/zinc/81/93/95/1379819395.db2.gz FOEQFEJXWYOCEW-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001390961485 1388917416 /nfs/dbraw/zinc/91/74/16/1388917416.db2.gz JQXGHDVZBHXAHM-UHFFFAOYSA-N 2 0 344.503 2.474 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001392344662 1389998040 /nfs/dbraw/zinc/99/80/40/1389998040.db2.gz NUBCPPMOAPBWNC-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001400186703 1396026414 /nfs/dbraw/zinc/02/64/14/1396026414.db2.gz NYJRMHSSVXXAJP-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001402570580 1398064965 /nfs/dbraw/zinc/06/49/65/1398064965.db2.gz CYJVUFKKSBBUOL-UHFFFAOYSA-N 2 0 339.911 2.489 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001755114977 1407125214 /nfs/dbraw/zinc/12/52/14/1407125214.db2.gz XUSLFTJOWBCUFD-QAPCUYQASA-N 2 0 347.890 2.080 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001574850298 1403526722 /nfs/dbraw/zinc/52/67/22/1403526722.db2.gz WXRCLIJWFWXILR-OALUTQOASA-N 2 0 329.488 2.303 20 30 EEEDRP C=CC1(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[NH2+]C1 ZINC001574880259 1403527297 /nfs/dbraw/zinc/52/72/97/1403527297.db2.gz LCZNLHJTSZJSBG-UHFFFAOYSA-N 2 0 345.409 2.074 20 30 EEEDRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC001576385822 1403570590 /nfs/dbraw/zinc/57/05/90/1403570590.db2.gz YQLFBIIPUFBICK-JQHSSLGASA-N 2 0 326.444 2.253 20 30 EEEDRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600230 1403588910 /nfs/dbraw/zinc/58/89/10/1403588910.db2.gz ZKEYQTOMTMLXQZ-PXNSSMCTSA-N 2 0 326.488 2.454 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001733674527 1406012939 /nfs/dbraw/zinc/01/29/39/1406012939.db2.gz ZGBMEFJEJMDFPB-PMACEKPBSA-N 2 0 341.499 2.207 20 30 EEEDRP C[C@H](CN(C)C(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001755614587 1407683174 /nfs/dbraw/zinc/68/31/74/1407683174.db2.gz NQIXBXCHBHLAOS-QGZVFWFLSA-N 2 0 347.478 2.346 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000303875381 1409792010 /nfs/dbraw/zinc/79/20/10/1409792010.db2.gz DJKUMUHNHOUALG-LJQANCHMSA-N 2 0 338.455 2.141 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121923812 1410252575 /nfs/dbraw/zinc/25/25/75/1410252575.db2.gz GIRRBPPECGTLPO-QAELIBMJSA-N 2 0 333.520 2.393 20 30 EEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001100402228 1410649531 /nfs/dbraw/zinc/64/95/31/1410649531.db2.gz SXANRWZXXSTFCG-TVPLGVNVSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)[C@@H]2CC)CC1 ZINC001087840218 782349003 /nfs/dbraw/zinc/34/90/03/782349003.db2.gz MOVMDCZSDHPKCI-RBUKOAKNSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210613840 758071318 /nfs/dbraw/zinc/07/13/18/758071318.db2.gz BVKAGDMSHFCUPA-UYAOXDASSA-N 2 0 327.472 2.067 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425846 758349464 /nfs/dbraw/zinc/34/94/64/758349464.db2.gz LSPRTSONZCWCHS-ROUUACIJSA-N 2 0 349.519 2.082 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001203407310 760753540 /nfs/dbraw/zinc/75/35/40/760753540.db2.gz JMDBDINWIHZDFS-UHFFFAOYSA-N 2 0 341.499 2.351 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167627922 760770039 /nfs/dbraw/zinc/77/00/39/760770039.db2.gz UUMGXMAQPFFWMB-HXUWFJFHSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461423 760929712 /nfs/dbraw/zinc/92/97/12/760929712.db2.gz GRQOEDVCSRVCMM-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccnc3C(C)C)C(C)(C)[C@H]21 ZINC001087306027 761553907 /nfs/dbraw/zinc/55/39/07/761553907.db2.gz BYSIPQSJSFDVCU-NXHRZFHOSA-N 2 0 342.487 2.245 20 30 EEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916792 765554839 /nfs/dbraw/zinc/55/48/39/765554839.db2.gz FXJBBPGCIJHMRS-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473059 769617687 /nfs/dbraw/zinc/61/76/87/769617687.db2.gz QSMKNSLHIILPLL-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001112529937 770345013 /nfs/dbraw/zinc/34/50/13/770345013.db2.gz WADBMAZCLKQCNX-FFZOFVMBSA-N 2 0 349.494 2.050 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203228335 770702056 /nfs/dbraw/zinc/70/20/56/770702056.db2.gz AJLOOENNNYYKLX-DLBZAZTESA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157932 783002052 /nfs/dbraw/zinc/00/20/52/783002052.db2.gz OQTRQBJRBSUKGT-MOPGFXCFSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167099 783012031 /nfs/dbraw/zinc/01/20/31/783012031.db2.gz HJZQFZWLBIVMFR-LVCYWYKZSA-N 2 0 341.499 2.430 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980141777 773933790 /nfs/dbraw/zinc/93/37/90/773933790.db2.gz KLJXOKBIBSSIHZ-JQHSSLGASA-N 2 0 336.439 2.188 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776182 783147058 /nfs/dbraw/zinc/14/70/58/783147058.db2.gz GCYHYUPTXCMJFL-HDICACEKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833470 777337983 /nfs/dbraw/zinc/33/79/83/777337983.db2.gz KPIJRQJGIVDRHT-AITUJVMLSA-N 2 0 336.439 2.303 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089835841 777475366 /nfs/dbraw/zinc/47/53/66/777475366.db2.gz XDOFFZQKEGUIKW-FFGOWVMKSA-N 2 0 348.450 2.140 20 30 EEEDRP C=CCC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957603 778656935 /nfs/dbraw/zinc/65/69/35/778656935.db2.gz NIBRKJKTTYKXKF-GOSISDBHSA-N 2 0 325.472 2.309 20 30 EEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982160952 779199995 /nfs/dbraw/zinc/19/99/95/779199995.db2.gz HAJRYXZJVDZRLY-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000982374650 779908765 /nfs/dbraw/zinc/90/87/65/779908765.db2.gz RNVSURPOOYEWMV-BGYRXZFFSA-N 2 0 336.439 2.142 20 30 EEEDRP C[N@H+](CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1)C1CCCCC1 ZINC001131815436 783299321 /nfs/dbraw/zinc/29/93/21/783299321.db2.gz CSRUNEUMXIJNIJ-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807657 783530703 /nfs/dbraw/zinc/53/07/03/783530703.db2.gz BUFURGKHCAGEAR-HSALFYBXSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001088337903 783557397 /nfs/dbraw/zinc/55/73/97/783557397.db2.gz QEWPXDZPSOWBNH-DLBZAZTESA-N 2 0 330.476 2.382 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001135390629 783710574 /nfs/dbraw/zinc/71/05/74/783710574.db2.gz LUXXCPONAMMBBH-CVEARBPZSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC001035256343 784204507 /nfs/dbraw/zinc/20/45/07/784204507.db2.gz IDEMIONJINBREL-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035754667 785063475 /nfs/dbraw/zinc/06/34/75/785063475.db2.gz GMQCTFMZRCPDKJ-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCCC)C3)CC2)CC1 ZINC001035856090 785295467 /nfs/dbraw/zinc/29/54/67/785295467.db2.gz HKOCUMLNVFYDGZ-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544347 787566008 /nfs/dbraw/zinc/56/60/08/787566008.db2.gz YWQLAYVWDFGHHY-NLWGTHIKSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991474950 789021516 /nfs/dbraw/zinc/02/15/16/789021516.db2.gz ROFDSONWANNFGE-QUCCMNQESA-N 2 0 336.439 2.393 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001146336939 791180632 /nfs/dbraw/zinc/18/06/32/791180632.db2.gz CEMNZJVXGGKYNT-LSDHHAIUSA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997816596 791217159 /nfs/dbraw/zinc/21/71/59/791217159.db2.gz JPJOFHGDASDKOW-KRWDZBQOSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147647382 791896939 /nfs/dbraw/zinc/89/69/39/791896939.db2.gz SXXABAIZBHKFOR-MRXNPFEDSA-N 2 0 325.472 2.167 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735092 792552355 /nfs/dbraw/zinc/55/23/55/792552355.db2.gz IZIIISKJNSNELY-ZBFHGGJFSA-N 2 0 325.884 2.004 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992169871 793024736 /nfs/dbraw/zinc/02/47/36/793024736.db2.gz SLCIUPJJSBFLJH-TZIWHRDSSA-N 2 0 339.483 2.151 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N ZINC001109928237 806227053 /nfs/dbraw/zinc/22/70/53/806227053.db2.gz NABMEAHTYHJESI-QYZOEREBSA-N 2 0 340.471 2.122 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@]2(C)C1 ZINC001091882869 793344288 /nfs/dbraw/zinc/34/42/88/793344288.db2.gz NEFOOFVJAZDIJU-NQIIRXRSSA-N 2 0 341.499 2.371 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013523 793506555 /nfs/dbraw/zinc/50/65/55/793506555.db2.gz URYKDDSUWDQUJP-AYOQOUSVSA-N 2 0 337.483 2.165 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C[C@@H](C)CC)C[C@@]3(C)C2)CC1 ZINC001092300286 793776320 /nfs/dbraw/zinc/77/63/20/793776320.db2.gz USTISRAZKQYSGI-DSKINZAPSA-N 2 0 345.531 2.158 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001079187763 794467038 /nfs/dbraw/zinc/46/70/38/794467038.db2.gz XRTGXYXLBSUOLB-OTWHNJEPSA-N 2 0 347.478 2.482 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001079879446 795312739 /nfs/dbraw/zinc/31/27/39/795312739.db2.gz SCYILOSJJWOEGB-QRQLOZEOSA-N 2 0 343.515 2.101 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022050 795617740 /nfs/dbraw/zinc/61/77/40/795617740.db2.gz CEORYNVPOQJHBW-MJGOQNOKSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108033958 796075980 /nfs/dbraw/zinc/07/59/80/796075980.db2.gz PSIZERCYSPNENR-VQIMIIECSA-N 2 0 339.524 2.279 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456605 796266828 /nfs/dbraw/zinc/26/68/28/796266828.db2.gz JJGBKRALUHZEFY-SFHLNBCPSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226529 796678367 /nfs/dbraw/zinc/67/83/67/796678367.db2.gz FNAUYPXNRLIXDM-GBESFXJTSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081226446 796678378 /nfs/dbraw/zinc/67/83/78/796678378.db2.gz COVQGQWOECNIOF-ZWKOTPCHSA-N 2 0 347.890 2.419 20 30 EEEDRP C[C@H](CCCC#N)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001172499514 797010074 /nfs/dbraw/zinc/01/00/74/797010074.db2.gz SPDTYOXDZOKSIX-MRXNPFEDSA-N 2 0 334.508 2.333 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172638296 797041777 /nfs/dbraw/zinc/04/17/77/797041777.db2.gz WIYYFDMPOBMANH-RBUKOAKNSA-N 2 0 349.519 2.010 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001175049699 797978688 /nfs/dbraw/zinc/97/86/88/797978688.db2.gz XKWOBGYYWSSXRR-GOSISDBHSA-N 2 0 329.488 2.254 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+](C)C ZINC001175054751 797979308 /nfs/dbraw/zinc/97/93/08/797979308.db2.gz BKVGMAMORXFDOH-HNNXBMFYSA-N 2 0 348.466 2.414 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085152720 798727149 /nfs/dbraw/zinc/72/71/49/798727149.db2.gz OTVYAQCSNBVGAZ-QRVBRYPASA-N 2 0 340.471 2.169 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177214982 798796651 /nfs/dbraw/zinc/79/66/51/798796651.db2.gz RVSFGJWKQCCXMS-IBGZPJMESA-N 2 0 342.487 2.060 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720700 800879438 /nfs/dbraw/zinc/87/94/38/800879438.db2.gz NBGMLHRDXVHYDU-QWFCFKBJSA-N 2 0 333.520 2.062 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439794 802048610 /nfs/dbraw/zinc/04/86/10/802048610.db2.gz WSUDJAWNLLFJKZ-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004444847 802057679 /nfs/dbraw/zinc/05/76/79/802057679.db2.gz BMDHMOASKALZCA-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001184883657 802224583 /nfs/dbraw/zinc/22/45/83/802224583.db2.gz WJGNLJSSJHHUFD-HKUYNNGSSA-N 2 0 341.499 2.112 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175351 802395105 /nfs/dbraw/zinc/39/51/05/802395105.db2.gz SBLGSIAPNXDUFZ-OAGGEKHMSA-N 2 0 327.900 2.345 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004619344 802496821 /nfs/dbraw/zinc/49/68/21/802496821.db2.gz BSWHXPOFRAQPQF-DLBZAZTESA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108258020 802598032 /nfs/dbraw/zinc/59/80/32/802598032.db2.gz OVJXYZSDOSSBJT-MJGOQNOKSA-N 2 0 337.508 2.033 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086402338 802899062 /nfs/dbraw/zinc/89/90/62/802899062.db2.gz QCYIHHWJFHRVIG-SNRMKQJTSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001108285210 803171531 /nfs/dbraw/zinc/17/15/31/803171531.db2.gz RUYRPFFSNJPIHW-IEBWSBKVSA-N 2 0 339.524 2.136 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395139 803446055 /nfs/dbraw/zinc/44/60/55/803446055.db2.gz OVMFSMFRNSTOMU-IEBWSBKVSA-N 2 0 339.524 2.116 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086530028 804784558 /nfs/dbraw/zinc/78/45/58/804784558.db2.gz COFDIPUIGASZKK-JCNLHEQBSA-N 2 0 339.911 2.345 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086619919 810645292 /nfs/dbraw/zinc/64/52/92/810645292.db2.gz OAPJKNXBMHQXFV-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)[NH+](C)C ZINC001436830879 1088441946 /nfs/dbraw/zinc/44/19/46/1088441946.db2.gz AMSIRKRBXASAFA-RTBURBONSA-N 2 0 342.487 2.129 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438814946 1091432798 /nfs/dbraw/zinc/43/27/98/1091432798.db2.gz GDZOIXVEKIWFKE-ZWKOTPCHSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001440334832 1093477177 /nfs/dbraw/zinc/47/71/77/1093477177.db2.gz ASUUYBANVDQEPT-HNNXBMFYSA-N 2 0 327.900 2.489 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC001449023687 1094029943 /nfs/dbraw/zinc/02/99/43/1094029943.db2.gz WRKQLHXJRSVSNE-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001441650988 1095604889 /nfs/dbraw/zinc/60/48/89/1095604889.db2.gz ZEMBTZQZUAVZMU-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001445105374 1100330682 /nfs/dbraw/zinc/33/06/82/1100330682.db2.gz GDNVDVDDTNHPDW-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001445118966 1100364900 /nfs/dbraw/zinc/36/49/00/1100364900.db2.gz UGRWBSDZFRDFQB-HOTGVXAUSA-N 2 0 327.900 2.345 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498118589 1106945166 /nfs/dbraw/zinc/94/51/66/1106945166.db2.gz STMSVOLANWGMMG-HNNXBMFYSA-N 2 0 330.476 2.130 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001507293425 1115177816 /nfs/dbraw/zinc/17/78/16/1115177816.db2.gz RTABMCGZUMOGDA-WMLDXEAASA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416712 1115258670 /nfs/dbraw/zinc/25/86/70/1115258670.db2.gz QBVQOOXLYMUAOT-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000438846239 242053808 /nfs/dbraw/zinc/05/38/08/242053808.db2.gz ADOXPSCRZNGIAA-SFHVURJKSA-N 2 0 336.524 2.447 20 30 EEEDRP N#Cc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)C(N)=O)cc1 ZINC000115600040 152033527 /nfs/dbraw/zinc/03/35/27/152033527.db2.gz ZKEKKJNGEIZZDR-SFHVURJKSA-N 2 0 328.460 2.330 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000286474427 266145058 /nfs/dbraw/zinc/14/50/58/266145058.db2.gz PLHFGRIRUKEGSO-QGZVFWFLSA-N 2 0 346.450 2.185 20 30 EEEDRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528399316 267017586 /nfs/dbraw/zinc/01/75/86/267017586.db2.gz VOGQMFWBJHXWTG-SFHVURJKSA-N 2 0 331.460 2.104 20 30 EEEDRP C=CCN1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865078 276894964 /nfs/dbraw/zinc/89/49/64/276894964.db2.gz XBCMFRZAFFQGAO-QUCCMNQESA-N 2 0 327.472 2.482 20 30 EEEDRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)ccn2)CC1 ZINC000580605712 324095349 /nfs/dbraw/zinc/09/53/49/324095349.db2.gz LQZZGWWRYQYDSC-FQEVSTJZSA-N 2 0 347.466 2.482 20 30 EEEDRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000581615938 324291049 /nfs/dbraw/zinc/29/10/49/324291049.db2.gz XSXALFHDGBIVJR-OAHLLOKOSA-N 2 0 334.383 2.331 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000068230259 463108554 /nfs/dbraw/zinc/10/85/54/463108554.db2.gz BUWVAJLQBZUISL-UHFFFAOYSA-N 2 0 345.462 2.061 20 30 EEEDRP N#Cc1ccsc1NC(=O)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150767169 463424163 /nfs/dbraw/zinc/42/41/63/463424163.db2.gz MGQALCCIZJRSJA-CQSZACIVSA-N 2 0 332.473 2.366 20 30 EEEDRP N#Cc1ccc(N2CC[C@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000150852242 463440429 /nfs/dbraw/zinc/44/04/29/463440429.db2.gz QKCCZBRSWNSJKG-MJGOQNOKSA-N 2 0 338.455 2.081 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908961 463739389 /nfs/dbraw/zinc/73/93/89/463739389.db2.gz PYIPIVPXGICEFU-IBGZPJMESA-N 3 0 343.519 2.171 20 30 EEEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])Nc2cc(F)ccc2F)ccn1 ZINC000288727397 464057445 /nfs/dbraw/zinc/05/74/45/464057445.db2.gz MZBBAJKJTCUIJO-UHFFFAOYSA-N 2 0 349.385 2.227 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000264064784 464278544 /nfs/dbraw/zinc/27/85/44/464278544.db2.gz ARXXVVAPQMKXOB-MRXNPFEDSA-N 2 0 332.492 2.358 20 30 EEEDRP N#CCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000264574197 464379696 /nfs/dbraw/zinc/37/96/96/464379696.db2.gz SVYMHWBIMADLCV-UHFFFAOYSA-N 2 0 329.444 2.133 20 30 EEEDRP CC(C)(C)CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330268821 465591422 /nfs/dbraw/zinc/59/14/22/465591422.db2.gz IWSUHMGKXKLTHQ-OAHLLOKOSA-N 2 0 333.480 2.166 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000350147713 466404421 /nfs/dbraw/zinc/40/44/21/466404421.db2.gz AUZMSCGKMJSCGM-IBGZPJMESA-N 2 0 331.460 2.370 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000358188023 466526112 /nfs/dbraw/zinc/52/61/12/466526112.db2.gz KIDPVKQPLZQBAO-UHFFFAOYSA-N 2 0 336.524 2.447 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000417063930 466768274 /nfs/dbraw/zinc/76/82/74/466768274.db2.gz OFIVDTBEQCKVRE-OKZBNKHCSA-N 2 0 336.524 2.311 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1cccs1 ZINC000424138705 466987979 /nfs/dbraw/zinc/98/79/79/466987979.db2.gz DRDHGUREORMWRO-FMKPAKJESA-N 2 0 334.489 2.268 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000374206264 467032276 /nfs/dbraw/zinc/03/22/76/467032276.db2.gz SNUNKVAJOJDWCI-UHFFFAOYSA-N 2 0 345.531 2.494 20 30 EEEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000602549204 469357276 /nfs/dbraw/zinc/35/72/76/469357276.db2.gz SWTIIWLNVWAVFX-APWZRJJASA-N 2 0 342.487 2.413 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644548906 470979383 /nfs/dbraw/zinc/97/93/83/470979383.db2.gz DUHXYNXNEAMMBD-FQEVSTJZSA-N 2 0 331.504 2.109 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000171907818 526434461 /nfs/dbraw/zinc/43/44/61/526434461.db2.gz WMLRDOCUVKFBEZ-QGZVFWFLSA-N 2 0 344.503 2.457 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106334940 526594420 /nfs/dbraw/zinc/59/44/20/526594420.db2.gz JGVTVYHAEQTTMM-DLBZAZTESA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000113335731 526743133 /nfs/dbraw/zinc/74/31/33/526743133.db2.gz VLTWLSYMVCLBAT-SFHVURJKSA-N 2 0 329.488 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC2)CC1 ZINC000969156223 674643044 /nfs/dbraw/zinc/64/30/44/674643044.db2.gz MXQRIPMNZJCTJS-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC(=C)C)CC1 ZINC000969155530 674643052 /nfs/dbraw/zinc/64/30/52/674643052.db2.gz BEMMLFJFVWXMAV-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000969965489 675345396 /nfs/dbraw/zinc/34/53/96/675345396.db2.gz PSUZBWZAFJYFPY-QGZVFWFLSA-N 2 0 335.879 2.347 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682539 676338304 /nfs/dbraw/zinc/33/83/04/676338304.db2.gz RHAIRVWNMVYGLA-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711622 676369693 /nfs/dbraw/zinc/36/96/93/676369693.db2.gz YYRHQNIYKQQJMH-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)CN1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021715176 676371972 /nfs/dbraw/zinc/37/19/72/676371972.db2.gz DQIDKCQJTPHVKZ-CVEARBPZSA-N 2 0 337.895 2.148 20 30 EEEDRP CC[NH+]=C(NCC[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262364342 679335368 /nfs/dbraw/zinc/33/53/68/679335368.db2.gz DGLLMTBEPVULBZ-BBWFWOEESA-N 2 0 336.524 2.231 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000972689128 679606329 /nfs/dbraw/zinc/60/63/29/679606329.db2.gz SZGUWGWOVBOLGE-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000972689136 679606343 /nfs/dbraw/zinc/60/63/43/679606343.db2.gz SZGUWGWOVBOLGE-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366751 679883745 /nfs/dbraw/zinc/88/37/45/679883745.db2.gz VFOYBOAARHEBJJ-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652964 681318396 /nfs/dbraw/zinc/31/83/96/681318396.db2.gz ZPOGNSFSELZCKW-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541712 681863302 /nfs/dbraw/zinc/86/33/02/681863302.db2.gz FBSHKOOFMATTJX-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001025227903 682257643 /nfs/dbraw/zinc/25/76/43/682257643.db2.gz UDPPYJXVKNHRCX-DLBZAZTESA-N 2 0 328.460 2.211 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253980 682342888 /nfs/dbraw/zinc/34/28/88/682342888.db2.gz YSUKLSGYKQGDKA-RBUKOAKNSA-N 2 0 336.439 2.427 20 30 EEEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900651 682448495 /nfs/dbraw/zinc/44/84/95/682448495.db2.gz ICCSWGXBYROPEV-HNNXBMFYSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261967929 682685051 /nfs/dbraw/zinc/68/50/51/682685051.db2.gz LYPBDNPIABUVBQ-PKOBYXMFSA-N 2 0 336.524 2.185 20 30 EEEDRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000894496436 682931057 /nfs/dbraw/zinc/93/10/57/682931057.db2.gz QDOKODNKFBCVBC-NSHDSACASA-N 2 0 325.438 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000992858800 683608043 /nfs/dbraw/zinc/60/80/43/683608043.db2.gz NNTAMAJIKDMHAJ-HRCADAONSA-N 2 0 337.895 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(C)C)[C@H]3C2)CC1 ZINC000992929071 683659568 /nfs/dbraw/zinc/65/95/68/683659568.db2.gz FCSJWGLOLJDYRZ-UFYCRDLUSA-N 2 0 345.531 2.204 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262773158 688433322 /nfs/dbraw/zinc/43/33/22/688433322.db2.gz JGSDHWCEGOZCKW-MWDXBVQZSA-N 2 0 336.524 2.229 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986354627 688504872 /nfs/dbraw/zinc/50/48/72/688504872.db2.gz KRNINLCMHCCXNG-DNVCBOLYSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241288 692084689 /nfs/dbraw/zinc/08/46/89/692084689.db2.gz MWFCFJBALDUZTG-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001485672599 1191891037 /nfs/dbraw/zinc/89/10/37/1191891037.db2.gz JENHGONKVWJISY-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Br)C[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754051137 1177020814 /nfs/dbraw/zinc/02/08/14/1177020814.db2.gz ZRMTWOIFUCDSPD-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@@H](C)C1 ZINC000944124008 1192898209 /nfs/dbraw/zinc/89/82/09/1192898209.db2.gz ZGXIWPSJWNIGJW-DOTOQJQBSA-N 2 0 339.443 2.284 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001271885360 1186579261 /nfs/dbraw/zinc/57/92/61/1186579261.db2.gz OASZWXKALWORET-UXHICEINSA-N 2 0 341.499 2.253 20 30 EEEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105436760 1187086511 /nfs/dbraw/zinc/08/65/11/1187086511.db2.gz GLYSRHCUFZNIMP-PUZFROQSSA-N 2 0 329.488 2.320 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001105438335 1187117887 /nfs/dbraw/zinc/11/78/87/1187117887.db2.gz DKTDAMVADKNJHC-QFUCXCTJSA-N 2 0 341.499 2.320 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001105446107 1187195408 /nfs/dbraw/zinc/19/54/08/1187195408.db2.gz BYTQKLUHXHJQDN-PUZFROQSSA-N 2 0 329.488 2.320 20 30 EEEDRP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001105480694 1188095124 /nfs/dbraw/zinc/09/51/24/1188095124.db2.gz IJDVBXHRABKUKF-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105559173 1188175915 /nfs/dbraw/zinc/17/59/15/1188175915.db2.gz LYILQWGWSGLGSO-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105560675 1188176934 /nfs/dbraw/zinc/17/69/34/1188176934.db2.gz BCLPGKRRNHNLEB-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076364754 1188874064 /nfs/dbraw/zinc/87/40/64/1188874064.db2.gz QIMBABARGOUBLP-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001484657807 1191459586 /nfs/dbraw/zinc/45/95/86/1191459586.db2.gz SUDMOAACRXMRNN-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001410423104 1197854587 /nfs/dbraw/zinc/85/45/87/1197854587.db2.gz VXBMYEIJXGIMBL-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584803 1199674169 /nfs/dbraw/zinc/67/41/69/1199674169.db2.gz XITHXFPSSBSRPD-QWHCGFSZSA-N 2 0 346.313 2.252 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000826014074 1200228701 /nfs/dbraw/zinc/22/87/01/1200228701.db2.gz UXYKSNWQBJJSLB-LJQANCHMSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342417 1200767753 /nfs/dbraw/zinc/76/77/53/1200767753.db2.gz PDUHTXLEFFOVCS-AEFFLSMTSA-N 2 0 327.472 2.069 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171723 1205273496 /nfs/dbraw/zinc/27/34/96/1205273496.db2.gz KRUZVGCLDOXDAE-QRQLOZEOSA-N 2 0 342.487 2.077 20 30 EEEDRP Cc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1C#N ZINC001275374082 1205327444 /nfs/dbraw/zinc/32/74/44/1205327444.db2.gz UHBNZXATJQGLCF-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723055 1208686657 /nfs/dbraw/zinc/68/66/57/1208686657.db2.gz PLJQJIYMUIBSGM-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@H]1C ZINC000947723361 1208687384 /nfs/dbraw/zinc/68/73/84/1208687384.db2.gz VKNLITPEBANVKK-HZPDHXFCSA-N 2 0 346.475 2.429 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948436605 1209137208 /nfs/dbraw/zinc/13/72/08/1209137208.db2.gz XSQRFFBXKOQDNR-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000948923851 1209455653 /nfs/dbraw/zinc/45/56/53/1209455653.db2.gz VJPHYBMLKSAPSI-YVWKXTFCSA-N 2 0 339.483 2.066 20 30 EEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303869614 1213915989 /nfs/dbraw/zinc/91/59/89/1213915989.db2.gz DZSLYENJNRAZBR-CQSZACIVSA-N 2 0 332.448 2.306 20 30 EEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303869613 1213916483 /nfs/dbraw/zinc/91/64/83/1213916483.db2.gz DZSLYENJNRAZBR-AWEZNQCLSA-N 2 0 332.448 2.306 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000303907929 1213923847 /nfs/dbraw/zinc/92/38/47/1213923847.db2.gz XFWOQOZQEFQRFX-UHFFFAOYSA-N 2 0 347.507 2.228 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSc1nccs1 ZINC000304758459 1216103438 /nfs/dbraw/zinc/10/34/38/1216103438.db2.gz QAXGYHFPOQBKST-LBPRGKRZSA-N 2 0 327.523 2.014 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000304781405 1216105244 /nfs/dbraw/zinc/10/52/44/1216105244.db2.gz GGHYYSZWICFZHY-ZFWWWQNUSA-N 2 0 338.883 2.496 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373059 1217162535 /nfs/dbraw/zinc/16/25/35/1217162535.db2.gz FWKLGQPOGHWDOD-RBUKOAKNSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401675 1217175978 /nfs/dbraw/zinc/17/59/78/1217175978.db2.gz NHQMCLMXTAFUBE-IBGZPJMESA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CCF)C2)CC1 ZINC000963431613 1217625042 /nfs/dbraw/zinc/62/50/42/1217625042.db2.gz XRYPINWLZHMFQC-MOPGFXCFSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065298 1222600615 /nfs/dbraw/zinc/60/06/15/1222600615.db2.gz ZVIKFDGVCUQTAI-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001016625290 1226699103 /nfs/dbraw/zinc/69/91/03/1226699103.db2.gz GKTIWTFMZBSHPT-HOTGVXAUSA-N 2 0 337.895 2.051 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016641520 1226717499 /nfs/dbraw/zinc/71/74/99/1226717499.db2.gz BMNLPTNAQPBDOO-INIZCTEOSA-N 2 0 345.512 2.417 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663470 1226747920 /nfs/dbraw/zinc/74/79/20/1226747920.db2.gz RQXFPOHVNRFSSZ-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697133 1226792004 /nfs/dbraw/zinc/79/20/04/1226792004.db2.gz DFFCZMWDIUYBTD-SFHVURJKSA-N 2 0 336.439 2.250 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702018 1226796174 /nfs/dbraw/zinc/79/61/74/1226796174.db2.gz HVQLBMBSHZQOEV-QZTJIDSGSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001017572321 1227533855 /nfs/dbraw/zinc/53/38/55/1227533855.db2.gz CTFKTIHUEGEYPR-RVKKMQEKSA-N 2 0 343.475 2.041 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001018984767 1228607215 /nfs/dbraw/zinc/60/72/15/1228607215.db2.gz DFPIQQYYUVSEBJ-SNRMKQJTSA-N 2 0 343.446 2.175 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019820336 1229362574 /nfs/dbraw/zinc/36/25/74/1229362574.db2.gz GQQLRBOFXUBTLY-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001020354859 1229642349 /nfs/dbraw/zinc/64/23/49/1229642349.db2.gz GGBDBHBNJFKECY-IYARVYRRSA-N 2 0 345.406 2.257 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140239 1230355513 /nfs/dbraw/zinc/35/55/13/1230355513.db2.gz RDRLYVAGTNVMLC-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314634 1231165465 /nfs/dbraw/zinc/16/54/65/1231165465.db2.gz ULACPNREYOBVIC-TZIWHRDSSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001040740782 1231354362 /nfs/dbraw/zinc/35/43/62/1231354362.db2.gz MFUKLUDTEBVATO-UHFFFAOYSA-N 2 0 343.515 2.200 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744254 1233229743 /nfs/dbraw/zinc/22/97/43/1233229743.db2.gz OBPYXCOULOCWJI-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964569 1234242507 /nfs/dbraw/zinc/24/25/07/1234242507.db2.gz KTYLDOBJXKZOPH-UYAOXDASSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477650 1234847671 /nfs/dbraw/zinc/84/76/71/1234847671.db2.gz UWQGRMFKJXOXAD-GOSISDBHSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526666 1237866640 /nfs/dbraw/zinc/86/66/40/1237866640.db2.gz XNBGWTMBGQPNEX-NQYYFHDYSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574250 1237998810 /nfs/dbraw/zinc/99/88/10/1237998810.db2.gz TZEVJWOZDJJABX-KNJMJIDISA-N 2 0 343.515 2.386 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171012 1240174559 /nfs/dbraw/zinc/17/45/59/1240174559.db2.gz IAZYXUAUEUCEEE-NXOAAHMSSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526187 1241250057 /nfs/dbraw/zinc/25/00/57/1241250057.db2.gz UFTMYCQKYAMSNL-GUDVDZBRSA-N 2 0 329.488 2.092 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568396 1241452907 /nfs/dbraw/zinc/45/29/07/1241452907.db2.gz VKQBMDFVKNLWRQ-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835269 1242360562 /nfs/dbraw/zinc/36/05/62/1242360562.db2.gz HERMVPDPCOXDJU-GUDVDZBRSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097112781 1243719295 /nfs/dbraw/zinc/71/92/95/1243719295.db2.gz FGNMUVFKHMZSKA-ZACQAIPSSA-N 2 0 328.460 2.060 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050660987 1244066608 /nfs/dbraw/zinc/06/66/08/1244066608.db2.gz LIELKLNZPCFUFC-UHFFFAOYSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001050727677 1244226448 /nfs/dbraw/zinc/22/64/48/1244226448.db2.gz JLAVRCIPETXEPM-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097853962 1244689249 /nfs/dbraw/zinc/68/92/49/1244689249.db2.gz RFZKSJAFBHRNLH-OAFZBRQQSA-N 2 0 337.483 2.497 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051300567 1245501102 /nfs/dbraw/zinc/50/11/02/1245501102.db2.gz XFXNGTCKNUIGKA-HNAYVOBHSA-N 2 0 327.472 2.045 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954892 1245547961 /nfs/dbraw/zinc/54/79/61/1245547961.db2.gz VYFRVRJAIZUHLD-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038707 1245740105 /nfs/dbraw/zinc/74/01/05/1245740105.db2.gz ANYNMPPONIXXGB-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040414 1245746053 /nfs/dbraw/zinc/74/60/53/1245746053.db2.gz JOYWGAUNZBJZIO-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CCCF)C3)C2)CC1 ZINC001054245290 1247860866 /nfs/dbraw/zinc/86/08/66/1247860866.db2.gz QRYBSFZMKDBHJJ-FQEVSTJZSA-N 2 0 349.494 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001054245023 1247863185 /nfs/dbraw/zinc/86/31/85/1247863185.db2.gz MYFSDEWLJCLTAU-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895586 1254762833 /nfs/dbraw/zinc/76/28/33/1254762833.db2.gz AFYXVLOEFLEKIS-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001074878451 1257186448 /nfs/dbraw/zinc/18/64/48/1257186448.db2.gz WCXPZEQQWIZZSY-ZQIUZPCESA-N 2 0 346.500 2.041 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099252486 1258039430 /nfs/dbraw/zinc/03/94/30/1258039430.db2.gz NZGOMVXZVMRLNF-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001491119433 1258716099 /nfs/dbraw/zinc/71/60/99/1258716099.db2.gz FAQASSNDNSMKLM-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100901994 1259414429 /nfs/dbraw/zinc/41/44/29/1259414429.db2.gz YYDKEIWOVMWMDA-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299357 1278316675 /nfs/dbraw/zinc/31/66/75/1278316675.db2.gz WQOBTFLZDZQUOT-UONOGXRCSA-N 2 0 348.516 2.334 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299692 1278317515 /nfs/dbraw/zinc/31/75/15/1278317515.db2.gz YSFVWKRHYWOEKY-QZTJIDSGSA-N 2 0 341.499 2.253 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783990 1278781786 /nfs/dbraw/zinc/78/17/86/1278781786.db2.gz NOMFZQJEZMONLT-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190958235 1281152484 /nfs/dbraw/zinc/15/24/84/1281152484.db2.gz ULYSKIITEOTSNM-UHFFFAOYSA-N 2 0 329.448 2.165 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284382 1282977973 /nfs/dbraw/zinc/97/79/73/1282977973.db2.gz HBSJLRSIFGESDD-KRWDZBQOSA-N 2 0 346.450 2.070 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336950 1295827893 /nfs/dbraw/zinc/82/78/93/1295827893.db2.gz GZXHOXMUWNHMJY-VQIMIIECSA-N 2 0 345.487 2.001 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875107 1298732531 /nfs/dbraw/zinc/73/25/31/1298732531.db2.gz MUPZLXCTAGEBCE-BJLQDIEVSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164948 1298944899 /nfs/dbraw/zinc/94/48/99/1298944899.db2.gz IDXLNENACUCNLN-KRWDZBQOSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345746 1299063912 /nfs/dbraw/zinc/06/39/12/1299063912.db2.gz RNKRKBKGFBIHKO-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C#CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001276979927 1300640670 /nfs/dbraw/zinc/64/06/70/1300640670.db2.gz OJCPSKVDLGDHMD-REPLKXPHSA-N 2 0 333.520 2.158 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224558081 1300648048 /nfs/dbraw/zinc/64/80/48/1300648048.db2.gz ABEKWAURACYERJ-IBGZPJMESA-N 2 0 337.483 2.050 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCCN(Cc1cccc(C#N)c1F)C2 ZINC001277007330 1300785232 /nfs/dbraw/zinc/78/52/32/1300785232.db2.gz NRQPPLPTLCBCJC-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174608 1302387758 /nfs/dbraw/zinc/38/77/58/1302387758.db2.gz UPPHOLWYKFRNKV-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H](C)F)CC1 ZINC001230251718 1303128248 /nfs/dbraw/zinc/12/82/48/1303128248.db2.gz GDCLKXWHZRPNEU-CGTJXYLNSA-N 2 0 337.483 2.097 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571424 1303283576 /nfs/dbraw/zinc/28/35/76/1303283576.db2.gz DOMXGRKJULNGSZ-MSOLQXFVSA-N 2 0 337.483 2.003 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cccnc1 ZINC001230875882 1303516260 /nfs/dbraw/zinc/51/62/60/1303516260.db2.gz CLSYASYPEJHBTE-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP C=C(C)C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccnc1 ZINC001230898692 1303532604 /nfs/dbraw/zinc/53/26/04/1303532604.db2.gz LVOWPTZEJPCWPQ-UHFFFAOYSA-N 2 0 342.487 2.062 20 30 EEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001112355684 1304485628 /nfs/dbraw/zinc/48/56/28/1304485628.db2.gz NCLKNXKIENVDCQ-BJLQDIEVSA-N 2 0 331.504 2.123 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001112399121 1304524282 /nfs/dbraw/zinc/52/42/82/1304524282.db2.gz CVHPAVCDOYNHCY-JZXOWHBKSA-N 2 0 339.911 2.297 20 30 EEEDRP N#CC1(NC(=O)[C@H]2CCC[C@]23CC[N@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821085 1304659836 /nfs/dbraw/zinc/65/98/36/1304659836.db2.gz CRXJKVBYFKLLKC-IEBWSBKVSA-N 2 0 344.503 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCCCC=C)C[C@H]32)CC1 ZINC001115290024 1304908162 /nfs/dbraw/zinc/90/81/62/1304908162.db2.gz LYPGEQAMWLDNHM-PMOLBWCYSA-N 2 0 343.515 2.124 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234434975 1304921340 /nfs/dbraw/zinc/92/13/40/1304921340.db2.gz AIXPMBFMVWWTOV-QGZVFWFLSA-N 2 0 330.476 2.261 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115539883 1305302631 /nfs/dbraw/zinc/30/26/31/1305302631.db2.gz RNJUFRTVLBKDAG-MRXNPFEDSA-N 2 0 339.911 2.489 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)c2ccccc2C[NH+](C)C)CCCCC1 ZINC001120202633 1309382168 /nfs/dbraw/zinc/38/21/68/1309382168.db2.gz MJISTRFWDKIZMT-UHFFFAOYSA-N 2 0 327.472 2.404 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866369 1320296153 /nfs/dbraw/zinc/29/61/53/1320296153.db2.gz BFAHPEKRAFRDGR-KGLIPLIRSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001151415316 1316527935 /nfs/dbraw/zinc/52/79/35/1316527935.db2.gz NEPYYVOMVHAFJZ-CALCHBBNSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001252595666 1317641990 /nfs/dbraw/zinc/64/19/90/1317641990.db2.gz JIVPXZYZFQZKBA-FYQPLNBISA-N 2 0 346.519 2.383 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663491 1318161101 /nfs/dbraw/zinc/16/11/01/1318161101.db2.gz CBTMYJVYKKKBEU-VBSBHUPXSA-N 2 0 340.471 2.297 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036620 1318979865 /nfs/dbraw/zinc/97/98/65/1318979865.db2.gz DQIAAMHZYWNSHK-UXHICEINSA-N 2 0 339.483 2.008 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353039 1320142013 /nfs/dbraw/zinc/14/20/13/1320142013.db2.gz NYORUEQOWZTYQW-LJQANCHMSA-N 2 0 331.504 2.126 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)(COC)CC1 ZINC001162563431 1320899156 /nfs/dbraw/zinc/89/91/56/1320899156.db2.gz JWYVIPOKPJPKBH-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001162832292 1320970347 /nfs/dbraw/zinc/97/03/47/1320970347.db2.gz NHPJKUXDLMTCSN-LJQANCHMSA-N 2 0 329.488 2.174 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001163122205 1321042786 /nfs/dbraw/zinc/04/27/86/1321042786.db2.gz FLDBQAQPZLHJCU-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001165360469 1321508389 /nfs/dbraw/zinc/50/83/89/1321508389.db2.gz PSALLGFWMUOWGT-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001263103997 1322433920 /nfs/dbraw/zinc/43/39/20/1322433920.db2.gz SQLKNDIDFKHWRF-QGZVFWFLSA-N 2 0 345.491 2.234 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432936 1323130300 /nfs/dbraw/zinc/13/03/00/1323130300.db2.gz VRUHZUIMPKLRFJ-ZWKOTPCHSA-N 2 0 333.451 2.238 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206641838 1323552789 /nfs/dbraw/zinc/55/27/89/1323552789.db2.gz FZDCJBGASVYPTP-UHFFFAOYSA-N 2 0 346.313 2.065 20 30 EEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108069 1324319068 /nfs/dbraw/zinc/31/90/68/1324319068.db2.gz PBLLIEJZMRNNSL-UHFFFAOYSA-N 2 0 335.492 2.439 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477241 1324944333 /nfs/dbraw/zinc/94/43/33/1324944333.db2.gz BYZUOBWNFSLSTK-VQIMIIECSA-N 2 0 345.487 2.001 20 30 EEEDRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(C#N)c1 ZINC001492050061 1330423901 /nfs/dbraw/zinc/42/39/01/1330423901.db2.gz CTMMNXIUSKOOPC-MRXNPFEDSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100459869 1338395839 /nfs/dbraw/zinc/39/58/39/1338395839.db2.gz BXDMCVCNETXGPZ-UHFFFAOYSA-N 2 0 348.516 2.334 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200722547 1338550325 /nfs/dbraw/zinc/55/03/25/1338550325.db2.gz ZNJJNSZETYHQIK-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852866947 1369309302 /nfs/dbraw/zinc/30/93/02/1369309302.db2.gz NYUGZGVGHWJWPG-QGZVFWFLSA-N 2 0 339.483 2.331 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212255 1371361288 /nfs/dbraw/zinc/36/12/88/1371361288.db2.gz WEKZAZNLLMOTNH-ZIAGYGMSSA-N 2 0 335.414 2.272 20 30 EEEDRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001366477503 1373913448 /nfs/dbraw/zinc/91/34/48/1373913448.db2.gz QKYRSFQIRKPIPO-CQSZACIVSA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001380290146 1381154765 /nfs/dbraw/zinc/15/47/65/1381154765.db2.gz IAYKFMYUHPCKCF-MRXNPFEDSA-N 2 0 327.900 2.440 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC001382518121 1382112608 /nfs/dbraw/zinc/11/26/08/1382112608.db2.gz HSCKETPTVJKGFH-CVEARBPZSA-N 2 0 348.516 2.334 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001392194687 1389886651 /nfs/dbraw/zinc/88/66/51/1389886651.db2.gz YJRVOGHWRGLQQA-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001401265404 1397101027 /nfs/dbraw/zinc/10/10/27/1397101027.db2.gz GSWAWSZVTQYUKK-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001401285748 1397120690 /nfs/dbraw/zinc/12/06/90/1397120690.db2.gz AVDDZKXTCCECTH-OCCSQVGLSA-N 2 0 346.313 2.063 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403054384 1398325166 /nfs/dbraw/zinc/32/51/66/1398325166.db2.gz JBNJIXIZBQIHRU-GOSISDBHSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1F ZINC001751992536 1406169577 /nfs/dbraw/zinc/16/95/77/1406169577.db2.gz WPQIATLFUZPYMM-SFHVURJKSA-N 2 0 349.425 2.001 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750170 1407808539 /nfs/dbraw/zinc/80/85/39/1407808539.db2.gz SFJCWACJOULKJA-IEBWSBKVSA-N 2 0 331.504 2.172 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001122242940 1410268044 /nfs/dbraw/zinc/26/80/44/1410268044.db2.gz RCRGPNXTLMYLGJ-UHFFFAOYSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001112493037 758105937 /nfs/dbraw/zinc/10/59/37/758105937.db2.gz MTVOVWMEHJLSDP-RXVVDRJESA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454328 760712667 /nfs/dbraw/zinc/71/26/67/760712667.db2.gz QSBKCWBXLMHLDT-PKOBYXMFSA-N 2 0 333.520 2.301 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167627567 760768930 /nfs/dbraw/zinc/76/89/30/760768930.db2.gz PQBCCYIBVCZZLI-KRWDZBQOSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001098606128 765201650 /nfs/dbraw/zinc/20/16/50/765201650.db2.gz OAKWIIFDORXUFK-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408806 768845192 /nfs/dbraw/zinc/84/51/92/768845192.db2.gz HWHRHLPOOADFHY-MOPGFXCFSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC(=C)C)C2)CC1 ZINC001105062320 768977633 /nfs/dbraw/zinc/97/76/33/768977633.db2.gz LVKYLJLTZSQZCG-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675508 770095448 /nfs/dbraw/zinc/09/54/48/770095448.db2.gz SMIOMORNJHYYFB-ZCNNSNEGSA-N 2 0 341.499 2.324 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078546 782872568 /nfs/dbraw/zinc/87/25/68/782872568.db2.gz LXRWCDPOOASPRV-HBFSDRIKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979710259 770922031 /nfs/dbraw/zinc/92/20/31/770922031.db2.gz KDJSKBRYSCCWHT-OKZBNKHCSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639842 773638072 /nfs/dbraw/zinc/63/80/72/773638072.db2.gz ZZXUIQLFLRCCFW-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979999349 773689000 /nfs/dbraw/zinc/68/90/00/773689000.db2.gz JBRDFBLJQDSNOK-OTWHNJEPSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649165 773758152 /nfs/dbraw/zinc/75/81/52/773758152.db2.gz CPQOXCBSXWOYJB-QZTJIDSGSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCC3)C2)CC1 ZINC000981539898 777623674 /nfs/dbraw/zinc/62/36/74/777623674.db2.gz ANHCFXPVWVEYRL-RBUKOAKNSA-N 2 0 331.504 2.149 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052556 779000374 /nfs/dbraw/zinc/00/03/74/779000374.db2.gz PQXPBSOIONPLME-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279892 779519134 /nfs/dbraw/zinc/51/91/34/779519134.db2.gz LUCYXMHXDJRPJD-JYRKZWEQSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281225 779526875 /nfs/dbraw/zinc/52/68/75/779526875.db2.gz QILHCLFBMSUBIJ-OYRHEFFESA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285359 779546564 /nfs/dbraw/zinc/54/65/64/779546564.db2.gz AWWAXDSHDCTJLZ-KVPLUYHFSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035257273 784207141 /nfs/dbraw/zinc/20/71/41/784207141.db2.gz VGCQIHNYFSDKOZ-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980184 784906343 /nfs/dbraw/zinc/90/63/43/784906343.db2.gz MDTUYQXFSJTXPV-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976051 784925909 /nfs/dbraw/zinc/92/59/09/784925909.db2.gz GHRZJQAOGVXYNT-STQMWFEESA-N 2 0 334.302 2.110 20 30 EEEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OC ZINC000817917806 785068854 /nfs/dbraw/zinc/06/88/54/785068854.db2.gz HXPOIHVDBKXUID-PQEBFOHHSA-N 2 0 347.459 2.218 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164380 785456584 /nfs/dbraw/zinc/45/65/84/785456584.db2.gz WETDALCHSBBPOU-LJQANCHMSA-N 2 0 349.475 2.128 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001036306321 786216679 /nfs/dbraw/zinc/21/66/79/786216679.db2.gz WUDPOJKXQRFNKD-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911745500 787682273 /nfs/dbraw/zinc/68/22/73/787682273.db2.gz PTIRVUPFNXSBNV-MRXNPFEDSA-N 2 0 345.443 2.218 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997093788 788775379 /nfs/dbraw/zinc/77/53/79/788775379.db2.gz OEEYAYHBIKPZAG-HZPDHXFCSA-N 2 0 325.884 2.336 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859475 788824458 /nfs/dbraw/zinc/82/44/58/788824458.db2.gz WQBMCTFVZBAZFQ-HAGHYFMRSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCN1CC[C@@]2(CCCN(C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168378728 789145812 /nfs/dbraw/zinc/14/58/12/789145812.db2.gz RMLRMDGYNBNLQK-HXUWFJFHSA-N 2 0 331.504 2.361 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)nc1 ZINC001144153980 789302945 /nfs/dbraw/zinc/30/29/45/789302945.db2.gz SYCURBNGWKQWRY-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000844780151 789370755 /nfs/dbraw/zinc/37/07/55/789370755.db2.gz TUVZRFIBBLOHRY-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997185150 789376996 /nfs/dbraw/zinc/37/69/96/789376996.db2.gz QRLDMBKOJZUVHZ-GDBMZVCRSA-N 2 0 327.900 2.440 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171204063 790012294 /nfs/dbraw/zinc/01/22/94/790012294.db2.gz RZEAVVICTNKHDJ-GOSISDBHSA-N 2 0 328.504 2.449 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001171215830 790074321 /nfs/dbraw/zinc/07/43/21/790074321.db2.gz CYNAFHPNSJLHQH-KRWDZBQOSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573165 791873492 /nfs/dbraw/zinc/87/34/92/791873492.db2.gz VATYWCCITXUWPJ-WMZOPIPTSA-N 2 0 331.504 2.217 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001147825797 791984548 /nfs/dbraw/zinc/98/45/48/791984548.db2.gz RUJYSFASNAHLGG-RDJZCZTQSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829521 791987901 /nfs/dbraw/zinc/98/79/01/791987901.db2.gz KIHUJPNULCTUKV-UHFFFAOYSA-N 2 0 342.487 2.408 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730950 792542646 /nfs/dbraw/zinc/54/26/46/792542646.db2.gz JXVOCXWIVJRFAC-GGPKGHCWSA-N 2 0 333.520 2.321 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086882729 792894391 /nfs/dbraw/zinc/89/43/91/792894391.db2.gz IFWBHENPSFJQSN-XHSDSOJGSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938151 793023100 /nfs/dbraw/zinc/02/31/00/793023100.db2.gz JKZAUVDNQNWIDJ-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940923 793029725 /nfs/dbraw/zinc/02/97/25/793029725.db2.gz DQKMUJLOXSDHID-KRWDZBQOSA-N 2 0 331.504 2.055 20 30 EEEDRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998995788 793649296 /nfs/dbraw/zinc/64/92/96/793649296.db2.gz VCNNBEXSMCHXJK-MQBCKMQZSA-N 2 0 346.500 2.183 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092296939 793813254 /nfs/dbraw/zinc/81/32/54/793813254.db2.gz NLOMNXHNRQAOSZ-QUCCMNQESA-N 2 0 327.472 2.328 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C2 ZINC001109968693 806295777 /nfs/dbraw/zinc/29/57/77/806295777.db2.gz ICPIBDGZZLGGRB-FUMNGEBKSA-N 2 0 339.483 2.424 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CC1 ZINC000999374973 794353196 /nfs/dbraw/zinc/35/31/96/794353196.db2.gz SQMKZSUJHAPJSZ-RHSMWYFYSA-N 2 0 346.500 2.041 20 30 EEEDRP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001111552750 806385928 /nfs/dbraw/zinc/38/59/28/806385928.db2.gz LWZTXLKKVPINQA-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001093374063 795108036 /nfs/dbraw/zinc/10/80/36/795108036.db2.gz YJWQGYXSVVJYQD-OALUTQOASA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093378898 795115483 /nfs/dbraw/zinc/11/54/83/795115483.db2.gz VOIKCSMPXQHVOH-IBGZPJMESA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378843 795115891 /nfs/dbraw/zinc/11/58/91/795115891.db2.gz UWPNXRCZZCHLST-ROUUACIJSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992588 795244872 /nfs/dbraw/zinc/24/48/72/795244872.db2.gz ADPVOFXHBRDYGI-FUHWJXTLSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC001106309250 795382792 /nfs/dbraw/zinc/38/27/92/795382792.db2.gz SGIQXJTZZOAILG-MISYRCLQSA-N 2 0 341.499 2.062 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867588 795610657 /nfs/dbraw/zinc/61/06/57/795610657.db2.gz XEIGPIGHNLBPLJ-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106667262 796074550 /nfs/dbraw/zinc/07/45/50/796074550.db2.gz QDTJNKJGZDWYOP-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC(CC)CC)CC1 ZINC001032800650 796449476 /nfs/dbraw/zinc/44/94/76/796449476.db2.gz RQUDZLXIHGCYNK-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001094993751 797190616 /nfs/dbraw/zinc/19/06/16/797190616.db2.gz SSDFZNSVJUNNME-BPUTZDHNSA-N 2 0 325.884 2.050 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001095065360 797301631 /nfs/dbraw/zinc/30/16/31/797301631.db2.gz FDWNTUBFUGHASQ-BBWFWOEESA-N 2 0 343.471 2.337 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001002036763 797499247 /nfs/dbraw/zinc/49/92/47/797499247.db2.gz KSSBJGWGVYPISJ-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176844187 798584566 /nfs/dbraw/zinc/58/45/66/798584566.db2.gz FZBAHRUVRPTHCT-KBPBESRZSA-N 2 0 334.489 2.088 20 30 EEEDRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176884892 798613150 /nfs/dbraw/zinc/61/31/50/798613150.db2.gz UQOQQOJSVKSIOK-UHFFFAOYSA-N 2 0 327.472 2.010 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001176999438 798688312 /nfs/dbraw/zinc/68/83/12/798688312.db2.gz WHLNPLOPGMKLRB-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001177316785 798855901 /nfs/dbraw/zinc/85/59/01/798855901.db2.gz GZCDYPOSVOVRES-VQTJNVASSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001179371475 799903971 /nfs/dbraw/zinc/90/39/71/799903971.db2.gz RRYQBYOGPJOCBQ-SFHVURJKSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001004460431 802128212 /nfs/dbraw/zinc/12/82/12/802128212.db2.gz ZEPKWUHIDWWBAO-UXHICEINSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004460542 802129013 /nfs/dbraw/zinc/12/90/13/802129013.db2.gz ZUELVBLWEMCCMB-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000186597576 802130498 /nfs/dbraw/zinc/13/04/98/802130498.db2.gz GVIYAMPVMHXZIW-DLBZAZTESA-N 2 0 330.476 2.266 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086122613 802222874 /nfs/dbraw/zinc/22/28/74/802222874.db2.gz RHLJWRSKOKKCMX-JKIFEVAISA-N 2 0 346.500 2.088 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585796 802425658 /nfs/dbraw/zinc/42/56/58/802425658.db2.gz LGERDSJJQANYLA-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004598840 802456603 /nfs/dbraw/zinc/45/66/03/802456603.db2.gz XSCASZGKYNYLJS-SFHVURJKSA-N 2 0 340.471 2.097 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657876 802679429 /nfs/dbraw/zinc/67/94/29/802679429.db2.gz WQVXTLKFQLTMDE-OTWHNJEPSA-N 2 0 333.520 2.463 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086401930 802896015 /nfs/dbraw/zinc/89/60/15/802896015.db2.gz ATVAANKBMMWXMQ-FHWLQOOXSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728555 802913468 /nfs/dbraw/zinc/91/34/68/802913468.db2.gz GOIPBLLWSJYNDR-ZCNNSNEGSA-N 2 0 345.531 2.302 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797657 804053147 /nfs/dbraw/zinc/05/31/47/804053147.db2.gz IDSJYULDCJAGAG-LPHOPBHVSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CC[C@H](Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)C(=O)OC ZINC001169845538 804116941 /nfs/dbraw/zinc/11/69/41/804116941.db2.gz VWXYOFMNAZEPFN-SFHVURJKSA-N 2 0 331.460 2.387 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716235 804384919 /nfs/dbraw/zinc/38/49/19/804384919.db2.gz LPGQLTLIGUUSCI-BQFCYCMXSA-N 2 0 336.439 2.249 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108750232 804455446 /nfs/dbraw/zinc/45/54/46/804455446.db2.gz ZZYHCEQWXBPSFV-ZNMIVQPWSA-N 2 0 325.884 2.050 20 30 EEEDRP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001437090028 1089042416 /nfs/dbraw/zinc/04/24/16/1089042416.db2.gz QTXZNHHFTTYUJY-KVULBXGLSA-N 2 0 348.516 2.477 20 30 EEEDRP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CC1CC[NH+](C)CC1 ZINC001438915926 1091577468 /nfs/dbraw/zinc/57/74/68/1091577468.db2.gz HVPTUBALPCDHNP-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001449069906 1094084775 /nfs/dbraw/zinc/08/47/75/1094084775.db2.gz YWPOXFKRKCCZLG-HZPDHXFCSA-N 2 0 327.900 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001498493688 1107629862 /nfs/dbraw/zinc/62/98/62/1107629862.db2.gz YVOLICZUMZDNHM-CABCVRRESA-N 2 0 327.900 2.345 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001501195752 1113237324 /nfs/dbraw/zinc/23/73/24/1113237324.db2.gz DJUSRPWFYWUWLV-IBGZPJMESA-N 2 0 329.488 2.214 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001521504506 1119256337 /nfs/dbraw/zinc/25/63/37/1119256337.db2.gz WFFUYUIQRHUHTF-SFHVURJKSA-N 2 0 330.476 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448013510 242354096 /nfs/dbraw/zinc/35/40/96/242354096.db2.gz XDRPBDRTQJMGLV-KRWDZBQOSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133087 218196492 /nfs/dbraw/zinc/19/64/92/218196492.db2.gz BYRHERHRKJPXIY-FQEVSTJZSA-N 2 0 341.499 2.301 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000104155210 277244422 /nfs/dbraw/zinc/24/44/22/277244422.db2.gz IGKWJWSNHPZUNR-CABCVRRESA-N 2 0 338.521 2.460 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000574825476 320060834 /nfs/dbraw/zinc/06/08/34/320060834.db2.gz CGQKLSOQRRJJQK-XYJFISCASA-N 2 0 344.507 2.287 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120882914 463049668 /nfs/dbraw/zinc/04/96/68/463049668.db2.gz CYTKTSMDARBKJR-QZTJIDSGSA-N 2 0 329.488 2.233 20 30 EEEDRP Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000123812098 463369790 /nfs/dbraw/zinc/36/97/90/463369790.db2.gz DHIDDWDAMZAVRF-INIZCTEOSA-N 2 0 343.475 2.017 20 30 EEEDRP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262470064 464029506 /nfs/dbraw/zinc/02/95/06/464029506.db2.gz OQFNIQWECXDXNQ-HNNXBMFYSA-N 2 0 346.504 2.031 20 30 EEEDRP C[C@H]1C[N@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)CCCO1 ZINC000288726041 464056943 /nfs/dbraw/zinc/05/69/43/464056943.db2.gz MSVHEQDVZLNXQU-LBPRGKRZSA-N 2 0 326.391 2.192 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(CC#N)cc1 ZINC000270427950 464255180 /nfs/dbraw/zinc/25/51/80/464255180.db2.gz NHOLJUWCHJNLRN-UHFFFAOYSA-N 2 0 330.476 2.098 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCc1ccccc1OCC[NH+](C)C ZINC000264045674 464276794 /nfs/dbraw/zinc/27/67/94/464276794.db2.gz KIWUXJCCJTYPNM-UHFFFAOYSA-N 2 0 330.432 2.085 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000264368448 464301012 /nfs/dbraw/zinc/30/10/12/464301012.db2.gz GCABBYKBECLITN-INIZCTEOSA-N 2 0 336.505 2.300 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376744068 466928353 /nfs/dbraw/zinc/92/83/53/466928353.db2.gz PIAFNBZGZCVHHG-JWTNVVGKSA-N 2 0 334.508 2.294 20 30 EEEDRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424125944 466985056 /nfs/dbraw/zinc/98/50/56/466985056.db2.gz AYAHZDGEQXUOMO-SFHVURJKSA-N 2 0 328.460 2.097 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424152069 466991851 /nfs/dbraw/zinc/99/18/51/466991851.db2.gz IBKZRIQVUNICJG-KBAYOESNSA-N 2 0 328.460 2.177 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000558753984 468713506 /nfs/dbraw/zinc/71/35/06/468713506.db2.gz YBLVGUTZSHLJEJ-ZIFCJYIRSA-N 2 0 345.487 2.256 20 30 EEEDRP CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCC1 ZINC000563617880 469242672 /nfs/dbraw/zinc/24/26/72/469242672.db2.gz IRIAOISCSRSMSM-SFHVURJKSA-N 2 0 345.487 2.204 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603111525 469267621 /nfs/dbraw/zinc/26/76/21/469267621.db2.gz RKBCTSSGCOQQSL-IBGZPJMESA-N 2 0 345.487 2.496 20 30 EEEDRP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000611559915 469279383 /nfs/dbraw/zinc/27/93/83/469279383.db2.gz MVRMGQBUKNKKOC-BEFAXECRSA-N 2 0 340.471 2.374 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)C(C)C ZINC000616088338 469365818 /nfs/dbraw/zinc/36/58/18/469365818.db2.gz SNTYQKBGEWAWBF-IBGZPJMESA-N 2 0 348.535 2.422 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659449922 471634466 /nfs/dbraw/zinc/63/44/66/471634466.db2.gz BIVNSZUTSZJRGC-SFHVURJKSA-N 2 0 348.535 2.448 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681629 472204261 /nfs/dbraw/zinc/20/42/61/472204261.db2.gz KMIPVSMBJLQZPW-HOCLYGCPSA-N 2 0 347.425 2.343 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167190 782132554 /nfs/dbraw/zinc/13/25/54/782132554.db2.gz HQSXXICSIOLNBD-MCIONIFRSA-N 2 0 335.414 2.272 20 30 EEEDRP C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131842586 526365852 /nfs/dbraw/zinc/36/58/52/526365852.db2.gz VBPVUHLGVIMNQP-MRXNPFEDSA-N 2 0 349.548 2.296 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114643409 526926621 /nfs/dbraw/zinc/92/66/21/526926621.db2.gz KUCLNKNEFVHGAG-FQEVSTJZSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000105442370 527128536 /nfs/dbraw/zinc/12/85/36/527128536.db2.gz VIWIEJQBZYGAEI-GOSISDBHSA-N 2 0 329.488 2.062 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000970732982 676110371 /nfs/dbraw/zinc/11/03/71/676110371.db2.gz ZOCDHGICCXGRDJ-OAHLLOKOSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832115 675236687 /nfs/dbraw/zinc/23/66/87/675236687.db2.gz DWKHIJLUENGQAQ-LPHOPBHVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622601 676276942 /nfs/dbraw/zinc/27/69/42/676276942.db2.gz KLEUXBGLZJPALS-PKOBYXMFSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692305 676350546 /nfs/dbraw/zinc/35/05/46/676350546.db2.gz SZXYXRJKTAASGF-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001022221033 676742608 /nfs/dbraw/zinc/74/26/08/676742608.db2.gz VULWPBRKUSUMFK-JZXOWHBKSA-N 2 0 345.874 2.174 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000972264927 678467923 /nfs/dbraw/zinc/46/79/23/678467923.db2.gz IRZUKZYKGZAKDR-RTBURBONSA-N 2 0 342.487 2.177 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508017 679346527 /nfs/dbraw/zinc/34/65/27/679346527.db2.gz GIGPIYQHIHDXME-KRWDZBQOSA-N 2 0 329.488 2.419 20 30 EEEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479956 679962491 /nfs/dbraw/zinc/96/24/91/679962491.db2.gz VEMFNFZIBULIIH-RTBURBONSA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755575 682109519 /nfs/dbraw/zinc/10/95/19/682109519.db2.gz QISJQUDCSQYPIG-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627239 683157368 /nfs/dbraw/zinc/15/73/68/683157368.db2.gz ICXSFENOILOZQT-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC000992865832 683602275 /nfs/dbraw/zinc/60/22/75/683602275.db2.gz ZRRJSCIAMGUEKN-SLFFLAALSA-N 2 0 339.483 2.212 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027044140 685738974 /nfs/dbraw/zinc/73/89/74/685738974.db2.gz RGORFOGGPFRZDC-RBUKOAKNSA-N 2 0 342.487 2.083 20 30 EEEDRP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1CC[NH+](C(C)C)CC1 ZINC000262452753 686120916 /nfs/dbraw/zinc/12/09/16/686120916.db2.gz RVCDKBFWOGWYPB-HKUYNNGSSA-N 2 0 338.540 2.356 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979073940 694165349 /nfs/dbraw/zinc/16/53/49/694165349.db2.gz ARUKMFKVSQBSHE-LDLYASANSA-N 2 0 327.472 2.232 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413208 1186825771 /nfs/dbraw/zinc/82/57/71/1186825771.db2.gz ALISMKDOICLPCE-HOTGVXAUSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)Cc1cnc[nH]1)CCO2 ZINC001105482083 1188098190 /nfs/dbraw/zinc/09/81/90/1188098190.db2.gz STLQALDPVZXCDO-UHFFFAOYSA-N 2 0 346.475 2.048 20 30 EEEDRP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001105487199 1188103791 /nfs/dbraw/zinc/10/37/91/1188103791.db2.gz URJAQGFDZAGEFM-ZJRDLVKKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365980 1194481374 /nfs/dbraw/zinc/48/13/74/1194481374.db2.gz RWSGHTQTZIAXRN-RBUKOAKNSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444579 1196219198 /nfs/dbraw/zinc/21/91/98/1196219198.db2.gz JHIDZWBEFBBEKU-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001112543015 1196451081 /nfs/dbraw/zinc/45/10/81/1196451081.db2.gz FAJLQJMTOCPZPG-GJYPPUQNSA-N 2 0 330.476 2.383 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736555 1199780272 /nfs/dbraw/zinc/78/02/72/1199780272.db2.gz GQIRDCJWPTVTTD-DLBZAZTESA-N 2 0 339.524 2.184 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165661 1200539858 /nfs/dbraw/zinc/53/98/58/1200539858.db2.gz KWKXKOPXTCMOHK-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133334024 1200757618 /nfs/dbraw/zinc/75/76/18/1200757618.db2.gz PXWILPRBHSZCMN-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133404074 1200866908 /nfs/dbraw/zinc/86/69/08/1200866908.db2.gz WQKLHWHZLYUGIC-CRAIPNDOSA-N 2 0 347.890 2.089 20 30 EEEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001133410555 1200880408 /nfs/dbraw/zinc/88/04/08/1200880408.db2.gz NCCANKWPBJGRQN-MRXNPFEDSA-N 2 0 335.879 2.396 20 30 EEEDRP C[NH+](C)CCN1CCC2(C[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001274890089 1205198509 /nfs/dbraw/zinc/19/85/09/1205198509.db2.gz DIFMCBFKRDDMDF-UHFFFAOYSA-N 2 0 326.488 2.060 20 30 EEEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001274920579 1205210621 /nfs/dbraw/zinc/21/06/21/1205210621.db2.gz JEKWCANTTHQBOL-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N ZINC001111230373 1208397103 /nfs/dbraw/zinc/39/71/03/1208397103.db2.gz NABMEAHTYHJESI-QRVBRYPASA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568096 1208624074 /nfs/dbraw/zinc/62/40/74/1208624074.db2.gz JDEBINRDLFFPJL-MJGOQNOKSA-N 2 0 341.499 2.397 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000075771615 1208846460 /nfs/dbraw/zinc/84/64/60/1208846460.db2.gz KIOOAZXOCXPIFQ-UHFFFAOYSA-N 2 0 343.519 2.152 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885722 1213920979 /nfs/dbraw/zinc/92/09/79/1213920979.db2.gz JYUWEPPZCAXORR-QZTJIDSGSA-N 3 0 337.556 2.132 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OC1CCCC1 ZINC000303889848 1213921070 /nfs/dbraw/zinc/92/10/70/1213921070.db2.gz MFDPIAGMRARUPJ-MRXNPFEDSA-N 2 0 345.491 2.292 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000957421981 1215114483 /nfs/dbraw/zinc/11/44/83/1215114483.db2.gz BDUFPIWGXFTSNW-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559906 1215210439 /nfs/dbraw/zinc/21/04/39/1215210439.db2.gz PVCWINCRTJBLQY-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304757189 1216103456 /nfs/dbraw/zinc/10/34/56/1216103456.db2.gz ONTABMFSLJCNOG-SFHVURJKSA-N 2 0 347.482 2.137 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000960332682 1216499607 /nfs/dbraw/zinc/49/96/07/1216499607.db2.gz DCYIFSVRCAOHEO-CEXWTWQISA-N 2 0 327.472 2.419 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202043 1217086669 /nfs/dbraw/zinc/08/66/69/1217086669.db2.gz PGSFFGSJSWWWIZ-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC000963428011 1217622078 /nfs/dbraw/zinc/62/20/78/1217622078.db2.gz JHLAQQCEYXPOSB-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000964213606 1218263819 /nfs/dbraw/zinc/26/38/19/1218263819.db2.gz WEOLOENHWNCDER-UHFFFAOYSA-N 2 0 337.895 2.384 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(=C)C)CC[C@H]2C)CC1 ZINC000968682358 1221487490 /nfs/dbraw/zinc/48/74/90/1221487490.db2.gz QBFOYEIAKNNFRQ-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001016820728 1226903634 /nfs/dbraw/zinc/90/36/34/1226903634.db2.gz SSTWJBLXALRKAM-IBGZPJMESA-N 2 0 339.483 2.008 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001039042180 1230258568 /nfs/dbraw/zinc/25/85/68/1230258568.db2.gz MYARGYNPFKNYRX-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155110 1230375781 /nfs/dbraw/zinc/37/57/81/1230375781.db2.gz MHLGEEDOPROYIA-LJQANCHMSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182916 1230410019 /nfs/dbraw/zinc/41/00/19/1230410019.db2.gz UMZFZDXWTACCCJ-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183359 1230411378 /nfs/dbraw/zinc/41/13/78/1230411378.db2.gz ZWARRJAUWQJTDM-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039301450 1230516707 /nfs/dbraw/zinc/51/67/07/1230516707.db2.gz JBCUPRZGSKJHJI-MVCQKVDPSA-N 2 0 331.504 2.386 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386732 1230571398 /nfs/dbraw/zinc/57/13/98/1230571398.db2.gz AXBYCANEEDQNBD-QRVBRYPASA-N 2 0 331.504 2.338 20 30 EEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356507 1231185385 /nfs/dbraw/zinc/18/53/85/1231185385.db2.gz IWIMSUMPTJWGJM-LJQANCHMSA-N 2 0 331.460 2.455 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357662 1231518492 /nfs/dbraw/zinc/51/84/92/1231518492.db2.gz IBKHVXMDUHMSBF-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041420888 1231539495 /nfs/dbraw/zinc/53/94/95/1231539495.db2.gz DLOBGVXWVFILMV-FQEVSTJZSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744245 1233229387 /nfs/dbraw/zinc/22/93/87/1233229387.db2.gz OBPYXCOULOCWJI-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857388 1233320622 /nfs/dbraw/zinc/32/06/22/1233320622.db2.gz IXDIOHBLBGUQDL-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938699 1234194006 /nfs/dbraw/zinc/19/40/06/1234194006.db2.gz JHQCQMQSWCZUDQ-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945207 1234205841 /nfs/dbraw/zinc/20/58/41/1234205841.db2.gz ORTNXCXQCYMVMA-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947538 1234210224 /nfs/dbraw/zinc/21/02/24/1234210224.db2.gz GNWPLYXSFVOAJG-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047243389 1235732236 /nfs/dbraw/zinc/73/22/36/1235732236.db2.gz KKBKZWSWRPUGST-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001055014545 1249591610 /nfs/dbraw/zinc/59/16/10/1249591610.db2.gz HOTGFMBAXSDVFU-BXUZGUMPSA-N 2 0 325.840 2.144 20 30 EEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526030 1237865930 /nfs/dbraw/zinc/86/59/30/1237865930.db2.gz MXUSSNWEFJDATM-NQYYFHDYSA-N 2 0 331.504 2.264 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048587043 1238032835 /nfs/dbraw/zinc/03/28/35/1238032835.db2.gz BDVRRETXZYJUIO-LVQVYYBASA-N 2 0 325.884 2.050 20 30 EEEDRP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001353337 1242117327 /nfs/dbraw/zinc/11/73/27/1242117327.db2.gz GBLJFMJENDJXSS-IBGZPJMESA-N 2 0 331.504 2.413 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051336 1245773284 /nfs/dbraw/zinc/77/32/84/1245773284.db2.gz NWRAZBOGLTUEES-RTBURBONSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541841 1245944557 /nfs/dbraw/zinc/94/45/57/1245944557.db2.gz XHEAWURRJBRUKH-MJGOQNOKSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142697 1247509973 /nfs/dbraw/zinc/50/99/73/1247509973.db2.gz GYZGWFKAKPZDHB-PZJWPPBQSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142695 1247510192 /nfs/dbraw/zinc/51/01/92/1247510192.db2.gz GYZGWFKAKPZDHB-CTNGQTDRSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145167 1247516411 /nfs/dbraw/zinc/51/64/11/1247516411.db2.gz LOIIQFXOZGEDGF-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145228 1247516561 /nfs/dbraw/zinc/51/65/61/1247516561.db2.gz NGQAKARLSJCDMS-FPOVZHCZSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159015 1247563160 /nfs/dbraw/zinc/56/31/60/1247563160.db2.gz GAFKPESURIULNU-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171470 1247598128 /nfs/dbraw/zinc/59/81/28/1247598128.db2.gz RFWAWZWYKVJGQW-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828831 1254691922 /nfs/dbraw/zinc/69/19/22/1254691922.db2.gz VLTTUZNGEBIISF-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100830006 1259312782 /nfs/dbraw/zinc/31/27/82/1259312782.db2.gz XCXNVHQNHQAMOA-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424264 1282502560 /nfs/dbraw/zinc/50/25/60/1282502560.db2.gz KJESMQUPAJDWPD-MOPGFXCFSA-N 2 0 327.472 2.235 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001196341418 1284008531 /nfs/dbraw/zinc/00/85/31/1284008531.db2.gz OMPCAZPRFSKNIO-SJORKVTESA-N 2 0 330.476 2.335 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@@H](C)CCC=C)CC2)CC1 ZINC001198236663 1285048360 /nfs/dbraw/zinc/04/83/60/1285048360.db2.gz SCHYFWBFSNRTDP-SFHVURJKSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1OC ZINC001198759128 1285345054 /nfs/dbraw/zinc/34/50/54/1285345054.db2.gz BWEULESUXBRDGS-KRWDZBQOSA-N 2 0 331.460 2.112 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC001201640343 1289693758 /nfs/dbraw/zinc/69/37/58/1289693758.db2.gz WUFXHRAXMDTTFR-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001490728335 1291614189 /nfs/dbraw/zinc/61/41/89/1291614189.db2.gz RLWDKZNBOZEMIV-QGZVFWFLSA-N 2 0 339.911 2.345 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095251 1295236371 /nfs/dbraw/zinc/23/63/71/1295236371.db2.gz GXDHCWNOPNLAFE-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001211268288 1295789607 /nfs/dbraw/zinc/78/96/07/1295789607.db2.gz HSGCEUUTKIYXLH-QGZVFWFLSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001211307261 1295810146 /nfs/dbraw/zinc/81/01/46/1295810146.db2.gz QBKCLTJLFTZVOG-QWFCFKBJSA-N 2 0 347.547 2.450 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001216490795 1297190730 /nfs/dbraw/zinc/19/07/30/1297190730.db2.gz PDBNCVQPHRGRGY-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001216494774 1297192928 /nfs/dbraw/zinc/19/29/28/1297192928.db2.gz OZHOKNLKPZPTTJ-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521393 1299180904 /nfs/dbraw/zinc/18/09/04/1299180904.db2.gz QOPICIZKUZQPPB-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214919 1300578286 /nfs/dbraw/zinc/57/82/86/1300578286.db2.gz GKGSVERGYOXQPR-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001103436052 1302959193 /nfs/dbraw/zinc/95/91/93/1302959193.db2.gz IQCVZVKORYEORO-GPMSIDNRSA-N 2 0 339.499 2.459 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccnc1 ZINC001230829985 1303487437 /nfs/dbraw/zinc/48/74/37/1303487437.db2.gz UJADNKSJDQEWFN-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846380 1303496849 /nfs/dbraw/zinc/49/68/49/1303496849.db2.gz HNWQWCLGYSELGY-IEBWSBKVSA-N 2 0 344.503 2.164 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871501 1303514964 /nfs/dbraw/zinc/51/49/64/1303514964.db2.gz IZWIUPKYNJGCFP-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3c(F)cc(C#N)cc3F)CC2)CC1 ZINC001235667547 1305321274 /nfs/dbraw/zinc/32/12/74/1305321274.db2.gz QAWFVDWGPSAAPQ-UHFFFAOYSA-N 2 0 348.441 2.296 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115571783 1305392707 /nfs/dbraw/zinc/39/27/07/1305392707.db2.gz OMXPIYMUQAEUPF-UHFFFAOYSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCCCC1 ZINC001115691466 1305622496 /nfs/dbraw/zinc/62/24/96/1305622496.db2.gz YZYNLUDRWYXHGL-KRWDZBQOSA-N 2 0 337.508 2.080 20 30 EEEDRP CCCCCCCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001239167079 1309046098 /nfs/dbraw/zinc/04/60/98/1309046098.db2.gz ITLHRIFGPKUKTO-UHFFFAOYSA-N 2 0 347.569 2.292 20 30 EEEDRP N#Cc1cc(-c2cncc(OCC[NH+]3CCCC3)n2)cc(C2C[NH2+]C2)c1 ZINC001240338383 1309308797 /nfs/dbraw/zinc/30/87/97/1309308797.db2.gz SZZBMRAEHGCZOX-UHFFFAOYSA-N 2 0 349.438 2.177 20 30 EEEDRP N#Cc1cc(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)cc(C2C[NH2+]C2)c1 ZINC001240361414 1309313446 /nfs/dbraw/zinc/31/34/46/1309313446.db2.gz WMRSAFDTHWCXNY-AWEZNQCLSA-N 2 0 344.422 2.032 20 30 EEEDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246115336 1310239427 /nfs/dbraw/zinc/23/94/27/1310239427.db2.gz YPEPFYQXYJGHNB-MAUKXSAKSA-N 2 0 340.471 2.141 20 30 EEEDRP C[C@@H]1CC[C@H](N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769957 1310422170 /nfs/dbraw/zinc/42/21/70/1310422170.db2.gz SGYZSZURTSYKMX-MOXGXCLJSA-N 2 0 338.455 2.128 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C12CCC2 ZINC001203103945 1315057090 /nfs/dbraw/zinc/05/70/90/1315057090.db2.gz OMSMWPIPVQTLON-DLBZAZTESA-N 2 0 328.460 2.111 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715171 1316023303 /nfs/dbraw/zinc/02/33/03/1316023303.db2.gz OQVZYQPZIBGOMC-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001252481589 1317613804 /nfs/dbraw/zinc/61/38/04/1317613804.db2.gz DHKISPXRICEZDG-ZGXWSNOMSA-N 2 0 330.472 2.050 20 30 EEEDRP C=CCC[C@@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001252615593 1317647170 /nfs/dbraw/zinc/64/71/70/1317647170.db2.gz AOAHJWYRLGBGNA-HXUWFJFHSA-N 2 0 331.504 2.241 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccccc2)CC1 ZINC001157091828 1318395934 /nfs/dbraw/zinc/39/59/34/1318395934.db2.gz DIAYCNNDPRLCQH-GOSISDBHSA-N 2 0 341.499 2.358 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040484 1318981637 /nfs/dbraw/zinc/98/16/37/1318981637.db2.gz XCJLMVULZCXGPJ-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001160272765 1320119158 /nfs/dbraw/zinc/11/91/58/1320119158.db2.gz CWBNMLMOOWGVAE-QGZVFWFLSA-N 2 0 346.450 2.168 20 30 EEEDRP C[C@H](c1ccccc1)N(C(=O)[C@H]([NH3+])CCC[NH3+])C1=CC(=O)CCC1 ZINC001161506155 1320521230 /nfs/dbraw/zinc/52/12/30/1320521230.db2.gz BGVLXPNRKQPEAV-RDTXWAMCSA-N 2 0 329.444 2.279 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161649465 1320569842 /nfs/dbraw/zinc/56/98/42/1320569842.db2.gz JEDVFTVGFGEGRG-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP N#Cc1ccc(CCC[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001208862899 1324695991 /nfs/dbraw/zinc/69/59/91/1324695991.db2.gz RMSHMEMZVBYCKM-UHFFFAOYSA-N 2 0 326.488 2.204 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210340952 1325246444 /nfs/dbraw/zinc/24/64/44/1325246444.db2.gz ZMMCCGYUYWUJFF-DLBZAZTESA-N 2 0 337.508 2.033 20 30 EEEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685438 1325389768 /nfs/dbraw/zinc/38/97/68/1325389768.db2.gz VZPYGGMXAHHSLK-KRWDZBQOSA-N 2 0 327.513 2.116 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636386 1338483918 /nfs/dbraw/zinc/48/39/18/1338483918.db2.gz ZFEVPKPHDARHKR-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200722548 1338550448 /nfs/dbraw/zinc/55/04/48/1338550448.db2.gz ZNJJNSZETYHQIK-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[NH2+]C(C)(C)C ZINC001646317457 1352828705 /nfs/dbraw/zinc/82/87/05/1352828705.db2.gz DODXNVMJCBBCRW-UHFFFAOYSA-N 2 0 330.476 2.227 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098571214 1370984146 /nfs/dbraw/zinc/98/41/46/1370984146.db2.gz OCFACLTWTFFDAW-ZWKOTPCHSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202979775 1372533302 /nfs/dbraw/zinc/53/33/02/1372533302.db2.gz POQMLDDAAUVPKN-HOTGVXAUSA-N 2 0 345.512 2.464 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000834362980 1372545632 /nfs/dbraw/zinc/54/56/32/1372545632.db2.gz QMGPTFDBFQGXFH-HDICACEKSA-N 2 0 341.499 2.394 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001370567411 1374996011 /nfs/dbraw/zinc/99/60/11/1374996011.db2.gz ZWCDFNLYNDYWHI-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001379817812 1380904408 /nfs/dbraw/zinc/90/44/08/1380904408.db2.gz PWMPYPVKJBJNRT-CABCVRRESA-N 2 0 327.900 2.488 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001392130186 1389832296 /nfs/dbraw/zinc/83/22/96/1389832296.db2.gz KTXXSCXOHLCVPQ-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001394672819 1390735614 /nfs/dbraw/zinc/73/56/14/1390735614.db2.gz SNDOPLCCIUHBJS-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398467726 1392884384 /nfs/dbraw/zinc/88/43/84/1392884384.db2.gz OCNNRRUJKAQBRZ-HZPDHXFCSA-N 2 0 329.916 2.496 20 30 EEEDRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400807991 1396601609 /nfs/dbraw/zinc/60/16/09/1396601609.db2.gz CTJNASXWYLLTFU-CYBMUJFWSA-N 2 0 334.489 2.088 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001423332146 1400528617 /nfs/dbraw/zinc/52/86/17/1400528617.db2.gz VNDYZAXHGZPCHX-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204828 1407218284 /nfs/dbraw/zinc/21/82/84/1407218284.db2.gz NOVAZYWDXIGUKE-ZWKOTPCHSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573203 761929503 /nfs/dbraw/zinc/92/95/03/761929503.db2.gz LQZDFWNCDLFMEK-GUDVDZBRSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291822 758132488 /nfs/dbraw/zinc/13/24/88/758132488.db2.gz WGIBJDIBVOAPJH-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461987 760944855 /nfs/dbraw/zinc/94/48/55/760944855.db2.gz YEQOFHOIFWDFRX-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211620235 761161047 /nfs/dbraw/zinc/16/10/47/761161047.db2.gz JOICVEDFDFYYIP-ZCNNSNEGSA-N 2 0 341.499 2.180 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752501 765192234 /nfs/dbraw/zinc/19/22/34/765192234.db2.gz FYUPHIHFBVLCQY-CEXWTWQISA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473058 769617596 /nfs/dbraw/zinc/61/75/96/769617596.db2.gz QSMKNSLHIILPLL-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673614 770050895 /nfs/dbraw/zinc/05/08/95/770050895.db2.gz SAGRAGMBFMDVJF-YSIASYRMSA-N 2 0 339.483 2.078 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089646845 773684662 /nfs/dbraw/zinc/68/46/62/773684662.db2.gz QDQXRYIYZAWNCE-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3nccn31)CC2 ZINC001035194214 784084168 /nfs/dbraw/zinc/08/41/68/784084168.db2.gz WENXGRQALSPALJ-QGZVFWFLSA-N 2 0 340.471 2.098 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223071 784103421 /nfs/dbraw/zinc/10/34/21/784103421.db2.gz KRDDODQYKPXINB-UHFFFAOYSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CCCF)C3)CC2)CC1 ZINC001035256333 784204463 /nfs/dbraw/zinc/20/44/63/784204463.db2.gz IAWZVTCINDKYEY-UHFFFAOYSA-N 2 0 349.494 2.006 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001036103788 785841628 /nfs/dbraw/zinc/84/16/28/785841628.db2.gz SALURKWXNQFLEK-DOTOQJQBSA-N 2 0 339.443 2.284 20 30 EEEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001036298746 786169628 /nfs/dbraw/zinc/16/96/28/786169628.db2.gz PEGMUGCBXIEJNU-RHSMWYFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1(C)C ZINC000996325550 786268033 /nfs/dbraw/zinc/26/80/33/786268033.db2.gz MHKICRSGYJQHER-UMVBOHGHSA-N 2 0 336.867 2.103 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996994824 788389731 /nfs/dbraw/zinc/38/97/31/788389731.db2.gz KCRHPXDKXDOHJH-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904563 789621959 /nfs/dbraw/zinc/62/19/59/789621959.db2.gz JPSPZCRKXATHMT-ZCNNSNEGSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001171235310 790255703 /nfs/dbraw/zinc/25/57/03/790255703.db2.gz GWPUYTQNJLZJCX-SJLPKXTDSA-N 2 0 337.508 2.080 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001146355727 791223716 /nfs/dbraw/zinc/22/37/16/791223716.db2.gz DBJIGVFPEUMELF-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647630 792064189 /nfs/dbraw/zinc/06/41/89/792064189.db2.gz IYKZIDWELHDNDP-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981786 792351289 /nfs/dbraw/zinc/35/12/89/792351289.db2.gz GHAKKDQDXFMWKI-MJGOQNOKSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480980 792541738 /nfs/dbraw/zinc/54/17/38/792541738.db2.gz XRXOOTKGKIPHGN-OAQYLSRUSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921381 792986360 /nfs/dbraw/zinc/98/63/60/792986360.db2.gz NYIBGVAQSHHNKV-ZWKOTPCHSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942403 793034863 /nfs/dbraw/zinc/03/48/63/793034863.db2.gz PWTXDNVCXUVUSU-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952441 793086917 /nfs/dbraw/zinc/08/69/17/793086917.db2.gz IRKQFXAOVMJXNU-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000998797424 793417424 /nfs/dbraw/zinc/41/74/24/793417424.db2.gz UBGLEBZMNLGJSE-QROZZAMVSA-N 2 0 346.500 2.039 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC(C)C)C2)CC1 ZINC001036904939 796448584 /nfs/dbraw/zinc/44/85/84/796448584.db2.gz ZWOKXKJSDZOALD-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccccc1 ZINC001081140146 796663225 /nfs/dbraw/zinc/66/32/25/796663225.db2.gz KTLNKZBWRKXCTG-RBUKOAKNSA-N 2 0 339.483 2.385 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125857 796669719 /nfs/dbraw/zinc/66/97/19/796669719.db2.gz TWRZXXFNUFBCSI-XUVXKRRUSA-N 2 0 341.499 2.487 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078640099 796786752 /nfs/dbraw/zinc/78/67/52/796786752.db2.gz SFOPQXUGSISQMX-HUUCEWRRSA-N 2 0 331.485 2.074 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054059892 796994513 /nfs/dbraw/zinc/99/45/13/796994513.db2.gz AFFFTBSIETZTNL-OALUTQOASA-N 2 0 327.472 2.057 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176986263 798675208 /nfs/dbraw/zinc/67/52/08/798675208.db2.gz JBQOBFZZNLFJRM-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001112585469 806706267 /nfs/dbraw/zinc/70/62/67/806706267.db2.gz ZVYHVCYRLYUGAK-FPOVZHCZSA-N 2 0 339.483 2.213 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178854196 799654733 /nfs/dbraw/zinc/65/47/33/799654733.db2.gz XZDNRILMSOSJPD-UHFFFAOYSA-N 2 0 327.513 2.186 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179025060 799729692 /nfs/dbraw/zinc/72/96/92/799729692.db2.gz HCTZJIGJDGUQCU-WMZOPIPTSA-N 2 0 330.476 2.453 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)CCCC[NH+](C)C ZINC001179967732 800216472 /nfs/dbraw/zinc/21/64/72/800216472.db2.gz IKSQZIMQWXTBHD-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598099 800865459 /nfs/dbraw/zinc/86/54/59/800865459.db2.gz MXGWXJNXVGJUQW-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1cccc(C#N)c1 ZINC001182339259 801127311 /nfs/dbraw/zinc/12/73/11/801127311.db2.gz XRHVWYMYDLBRND-UHFFFAOYSA-N 2 0 344.503 2.223 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108218965 801536644 /nfs/dbraw/zinc/53/66/44/801536644.db2.gz CEORYNVPOQJHBW-PKOBYXMFSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001085986676 801840416 /nfs/dbraw/zinc/84/04/16/801840416.db2.gz KNDCEYZFBKJAHT-HXUWFJFHSA-N 2 0 339.483 2.065 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2=CCCCC2)CC1 ZINC001085986647 801840717 /nfs/dbraw/zinc/84/07/17/801840717.db2.gz KATXZCVTLWKZPR-FQEVSTJZSA-N 2 0 343.515 2.365 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004460843 802131231 /nfs/dbraw/zinc/13/12/31/802131231.db2.gz XIZZISVKSBKRMA-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086110217 802200464 /nfs/dbraw/zinc/20/04/64/802200464.db2.gz YPNQJWWIWSIPHY-ZCNNSNEGSA-N 2 0 339.483 2.077 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1ccnc1C(C)C)C2 ZINC001108772236 804476209 /nfs/dbraw/zinc/47/62/09/804476209.db2.gz KYJGREYZAPBDFT-BZSNNMDCSA-N 2 0 342.487 2.389 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430149 810848867 /nfs/dbraw/zinc/84/88/67/810848867.db2.gz PGUCFQPSGRBKMB-IBGZPJMESA-N 2 0 340.471 2.171 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001445656654 1091445303 /nfs/dbraw/zinc/44/53/03/1091445303.db2.gz LYJUHZDJTNDATR-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001444258014 1098818187 /nfs/dbraw/zinc/81/81/87/1098818187.db2.gz IADQFLAGIYAQJB-UHFFFAOYSA-N 2 0 327.900 2.395 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444372641 1098945441 /nfs/dbraw/zinc/94/54/41/1098945441.db2.gz FTSORWNUTDBDFT-INIZCTEOSA-N 2 0 342.487 2.132 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001444516996 1099263016 /nfs/dbraw/zinc/26/30/16/1099263016.db2.gz BPLONOKTBFNLNU-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001505453161 1113987328 /nfs/dbraw/zinc/98/73/28/1113987328.db2.gz VPWKQXBDXLCDFD-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000491495304 533098737 /nfs/dbraw/zinc/09/87/37/533098737.db2.gz IIIAOVCOGGXVTN-UHFFFAOYSA-N 2 0 328.338 2.477 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000491717052 533106146 /nfs/dbraw/zinc/10/61/46/533106146.db2.gz VNFJIJOOTVITCQ-IBGZPJMESA-N 2 0 338.455 2.094 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000344966805 161260275 /nfs/dbraw/zinc/26/02/75/161260275.db2.gz GECNWBMMFMIVNN-IAGOWNOFSA-N 2 0 342.487 2.321 20 30 EEEDRP CC(C)[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000562814921 318934477 /nfs/dbraw/zinc/93/44/77/318934477.db2.gz NXQSTEITXAQPEJ-UHFFFAOYSA-N 2 0 345.491 2.020 20 30 EEEDRP Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000328912850 465164629 /nfs/dbraw/zinc/16/46/29/465164629.db2.gz HPLFPFONXIERGM-SJORKVTESA-N 2 0 345.491 2.215 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081984036 463510730 /nfs/dbraw/zinc/51/07/30/463510730.db2.gz XQWNSXLXGMAGRU-ZBFHGGJFSA-N 2 0 338.521 2.462 20 30 EEEDRP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261978858 463916453 /nfs/dbraw/zinc/91/64/53/463916453.db2.gz OINGBXZBMLNLJA-UKRRQHHQSA-N 2 0 348.520 2.180 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000264086942 464281193 /nfs/dbraw/zinc/28/11/93/464281193.db2.gz JTIKIYXMKKQRPV-OAHLLOKOSA-N 2 0 348.491 2.229 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000264316292 464295390 /nfs/dbraw/zinc/29/53/90/464295390.db2.gz WDMRQRWFQWGZAH-IRXDYDNUSA-N 2 0 347.507 2.114 20 30 EEEDRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN1CC[NH+](C)CC1 ZINC000181689190 464521721 /nfs/dbraw/zinc/52/17/21/464521721.db2.gz LRMBTIMEVGLCTL-SJORKVTESA-N 2 0 330.476 2.123 20 30 EEEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C#N ZINC000190968018 464753503 /nfs/dbraw/zinc/75/35/03/464753503.db2.gz XCOTZAOJQHBCBT-UHFFFAOYSA-N 2 0 338.455 2.143 20 30 EEEDRP C=CCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000276583523 464988307 /nfs/dbraw/zinc/98/83/07/464988307.db2.gz HGXUNWDLCPDDAW-UHFFFAOYSA-N 2 0 342.487 2.456 20 30 EEEDRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3ccnc3C2)CCCCCC1 ZINC000330172900 465558379 /nfs/dbraw/zinc/55/83/79/465558379.db2.gz GVGJDBTWUSYRQG-OAHLLOKOSA-N 2 0 333.480 2.356 20 30 EEEDRP C[NH+](C)CCN(C(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000330454957 465667265 /nfs/dbraw/zinc/66/72/65/465667265.db2.gz NUGHHQCUUUSERD-UHFFFAOYSA-N 2 0 329.448 2.048 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000442818384 467577953 /nfs/dbraw/zinc/57/79/53/467577953.db2.gz NVPPQBQWLHNZIA-IEBWSBKVSA-N 2 0 340.471 2.294 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000592260334 468666753 /nfs/dbraw/zinc/66/67/53/468666753.db2.gz XDIIYUIKTHCWFZ-ROUUACIJSA-N 2 0 328.460 2.351 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660705220 471452091 /nfs/dbraw/zinc/45/20/91/471452091.db2.gz TXUTZJRKLLZZKQ-KRWDZBQOSA-N 2 0 334.508 2.343 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000377208347 526925947 /nfs/dbraw/zinc/92/59/47/526925947.db2.gz JTDWSALZBALLFN-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000970732980 676110423 /nfs/dbraw/zinc/11/04/23/676110423.db2.gz ZOCDHGICCXGRDJ-HNNXBMFYSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001021089993 675715929 /nfs/dbraw/zinc/71/59/29/675715929.db2.gz KLKROVHXZAFNHR-IYARVYRRSA-N 2 0 331.504 2.005 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC1 ZINC001022885748 678718554 /nfs/dbraw/zinc/71/85/54/678718554.db2.gz NOQHVLKUWKTTRL-KDURUIRLSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC(=C)C)CC1 ZINC001024813345 681466057 /nfs/dbraw/zinc/46/60/57/681466057.db2.gz ZWJZUEXEOQEUQV-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557509 681644756 /nfs/dbraw/zinc/64/47/56/681644756.db2.gz PHPIWVSNXFTVIA-YSIASYRMSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001029003573 682650556 /nfs/dbraw/zinc/65/05/56/682650556.db2.gz NUTIXLXGBXEPGM-QGZVFWFLSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001025631225 683169535 /nfs/dbraw/zinc/16/95/35/683169535.db2.gz YRACNXQNPWSHBA-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001026319204 684253439 /nfs/dbraw/zinc/25/34/39/684253439.db2.gz QCKMUTNNFJCGRB-DFQSSKMNSA-N 2 0 341.499 2.417 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990811856 693890462 /nfs/dbraw/zinc/89/04/62/693890462.db2.gz BDVDSNBKBOIZKL-FXAWDEMLSA-N 2 0 342.487 2.451 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988957004 691323885 /nfs/dbraw/zinc/32/38/85/691323885.db2.gz CUJCRKBMHPDQIE-YJBOKZPZSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001027545899 692845570 /nfs/dbraw/zinc/84/55/70/692845570.db2.gz IAZINQPHKYGLSA-AEFFLSMTSA-N 2 0 330.476 2.253 20 30 EEEDRP C=C(Br)C[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754051138 1177020690 /nfs/dbraw/zinc/02/06/90/1177020690.db2.gz ZRMTWOIFUCDSPD-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001032207308 1193086781 /nfs/dbraw/zinc/08/67/81/1193086781.db2.gz MANRRDYEJPUJTA-UHFFFAOYSA-N 2 0 343.515 2.270 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001482533389 1186541253 /nfs/dbraw/zinc/54/12/53/1186541253.db2.gz LRFZIQNIBCFISS-INIZCTEOSA-N 2 0 348.516 2.334 20 30 EEEDRP CCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272478897 1190844205 /nfs/dbraw/zinc/84/42/05/1190844205.db2.gz ROPVBGCOCDSYAK-UHFFFAOYSA-N 2 0 339.524 2.212 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365984 1194481294 /nfs/dbraw/zinc/48/12/94/1194481294.db2.gz RWSGHTQTZIAXRN-RTBURBONSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955229 1195556997 /nfs/dbraw/zinc/55/69/97/1195556997.db2.gz WYOUJHZOWXHVAK-FQEVSTJZSA-N 2 0 341.499 2.350 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001034611222 1196433892 /nfs/dbraw/zinc/43/38/92/1196433892.db2.gz JCWJHRXCNWXKKE-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001034801451 1196744984 /nfs/dbraw/zinc/74/49/84/1196744984.db2.gz RXEGVBMPGSDSQY-WKILWMFISA-N 2 0 331.460 2.385 20 30 EEEDRP C=CCOc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877747643 1200072564 /nfs/dbraw/zinc/07/25/64/1200072564.db2.gz VVVIXVWZYRPDPL-UHFFFAOYSA-N 2 0 329.488 2.463 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342420 1200767902 /nfs/dbraw/zinc/76/79/02/1200767902.db2.gz PDUHTXLEFFOVCS-WMZOPIPTSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000778164531 1207759528 /nfs/dbraw/zinc/75/95/28/1207759528.db2.gz GJDJENWDQKYCCS-MRXNPFEDSA-N 2 0 349.906 2.325 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948065098 1208850873 /nfs/dbraw/zinc/85/08/73/1208850873.db2.gz HGQYPQMFUKQDGZ-AEFFLSMTSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCO2 ZINC000949248161 1209592854 /nfs/dbraw/zinc/59/28/54/1209592854.db2.gz NVWQLLYAAVEEBM-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000303869989 1213916294 /nfs/dbraw/zinc/91/62/94/1213916294.db2.gz BDCSWHGVEFHNBE-IRXDYDNUSA-N 2 0 344.503 2.311 20 30 EEEDRP CCCCNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303911993 1213923949 /nfs/dbraw/zinc/92/39/49/1213923949.db2.gz ZZLBTLKSTYOBRZ-UHFFFAOYSA-N 2 0 331.508 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000957422397 1215114872 /nfs/dbraw/zinc/11/48/72/1215114872.db2.gz XMTFAHGUCIMLQK-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC3CCCC3)C2)CC1 ZINC000957422132 1215114884 /nfs/dbraw/zinc/11/48/84/1215114884.db2.gz KHOKMIJLHVGFCO-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000957565841 1215216218 /nfs/dbraw/zinc/21/62/18/1215216218.db2.gz AELKLWQQPKODPR-UHFFFAOYSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000957569171 1215219704 /nfs/dbraw/zinc/21/97/04/1215219704.db2.gz YKNTWHBNQVTMIZ-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000963823370 1218058220 /nfs/dbraw/zinc/05/82/20/1218058220.db2.gz HKGUJTXCSVULDH-WENYZVDWSA-N 2 0 339.911 2.486 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001019386479 1229057399 /nfs/dbraw/zinc/05/73/99/1229057399.db2.gz PSUZBWZAFJYFPY-KRWDZBQOSA-N 2 0 335.879 2.347 20 30 EEEDRP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141317 1230357567 /nfs/dbraw/zinc/35/75/67/1230357567.db2.gz VFZDPFLSAYNALC-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163412 1230385379 /nfs/dbraw/zinc/38/53/79/1230385379.db2.gz CLDYDCVUQXPINX-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165471 1230387523 /nfs/dbraw/zinc/38/75/23/1230387523.db2.gz QZAQDGLNEAVYRA-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039387263 1230572389 /nfs/dbraw/zinc/57/23/89/1230572389.db2.gz ZWEVBQUJEGFUQB-QRVBRYPASA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452395 1230619637 /nfs/dbraw/zinc/61/96/37/1230619637.db2.gz UFHCIKKHUKFWQK-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCC)CC1 ZINC001040014070 1230964160 /nfs/dbraw/zinc/96/41/60/1230964160.db2.gz DKTBTWJOLLMLDP-KDURUIRLSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433241 1231230252 /nfs/dbraw/zinc/23/02/52/1231230252.db2.gz VAZFULYHZUUPDI-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479181 1231253781 /nfs/dbraw/zinc/25/37/81/1231253781.db2.gz OJYQGMPYJSTWGL-NRFANRHFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545595 1231286274 /nfs/dbraw/zinc/28/62/74/1231286274.db2.gz RQAJFGQQKCSJEE-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357145 1231518087 /nfs/dbraw/zinc/51/80/87/1231518087.db2.gz FCMKUJHPXHMETG-TZIWHRDSSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042111241 1231895848 /nfs/dbraw/zinc/89/58/48/1231895848.db2.gz IDVKQHWZQGIFBH-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001044670756 1233166699 /nfs/dbraw/zinc/16/66/99/1233166699.db2.gz GIZNPMNHMHPXSY-LSDHHAIUSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864489 1235262223 /nfs/dbraw/zinc/26/22/23/1235262223.db2.gz VGIZWESHUICOLH-LJQANCHMSA-N 2 0 331.460 2.339 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(=C)Cl)C3)CC1 ZINC001047209200 1235672773 /nfs/dbraw/zinc/67/27/73/1235672773.db2.gz RHLOQZCJQHSDLP-JQHSSLGASA-N 2 0 349.906 2.053 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047241609 1235728507 /nfs/dbraw/zinc/72/85/07/1235728507.db2.gz FEWVRRVTVOJOML-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC001047246952 1235743033 /nfs/dbraw/zinc/74/30/33/1235743033.db2.gz CLDDQDNYAODTSK-GOSISDBHSA-N 2 0 330.476 2.410 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525113 1237861276 /nfs/dbraw/zinc/86/12/76/1237861276.db2.gz LLZSHGJAZSZEDA-LTFPLMDUSA-N 2 0 343.515 2.243 20 30 EEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060025 1239890783 /nfs/dbraw/zinc/89/07/83/1239890783.db2.gz LRRAKLSGPWMFOI-JTDSTZFVSA-N 2 0 337.483 2.165 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC001000302860 1240150013 /nfs/dbraw/zinc/15/00/13/1240150013.db2.gz BUJDGZPSUVEVCT-UHFFFAOYSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000776875 1240919968 /nfs/dbraw/zinc/91/99/68/1240919968.db2.gz MNXSNVFJSQDPFL-LJQANCHMSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049472795 1241053259 /nfs/dbraw/zinc/05/32/59/1241053259.db2.gz HCRCRALNZRBRMU-YZGWKJHDSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049918856 1242708670 /nfs/dbraw/zinc/70/86/70/1242708670.db2.gz MZLPFAREMMIRGV-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC[C@H](C)F)C[C@H]32)CC1 ZINC001050208412 1243125566 /nfs/dbraw/zinc/12/55/66/1243125566.db2.gz KIICWDGAKMLXKI-YTQUADARSA-N 2 0 349.494 2.003 20 30 EEEDRP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+]4CCC3CC4)cccc2C1 ZINC001051288741 1245481391 /nfs/dbraw/zinc/48/13/91/1245481391.db2.gz VUGKJRYYSZFCFH-FQEVSTJZSA-N 2 0 339.483 2.189 20 30 EEEDRP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C34CC[NH+](CC3)C4)cccc2C1 ZINC001051305598 1245508841 /nfs/dbraw/zinc/50/88/41/1245508841.db2.gz LWWAHUQEOMFDKH-UHFFFAOYSA-N 2 0 339.483 2.333 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382453 1245744188 /nfs/dbraw/zinc/74/41/88/1245744188.db2.gz IJXHZHOZMPRUSU-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894086 1246370673 /nfs/dbraw/zinc/37/06/73/1246370673.db2.gz UAVCTLQITMITIG-OBKDMQGPSA-N 2 0 339.483 2.239 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132195 1247479733 /nfs/dbraw/zinc/47/97/33/1247479733.db2.gz BCRFVSHRCOYXPO-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164677 1247581479 /nfs/dbraw/zinc/58/14/79/1247581479.db2.gz PDJPUBZJHKTVDA-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054181848 1247636742 /nfs/dbraw/zinc/63/67/42/1247636742.db2.gz AFHBGVMVEAASDJ-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054245054 1247863539 /nfs/dbraw/zinc/86/35/39/1247863539.db2.gz NVSGIDWHEAQVRV-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250591 1258035063 /nfs/dbraw/zinc/03/50/63/1258035063.db2.gz VEVJNELGNYKKFY-RBSFLKMASA-N 2 0 347.425 2.414 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099259471 1258045698 /nfs/dbraw/zinc/04/56/98/1258045698.db2.gz IFLLUVUTELBSLZ-KFWWJZLASA-N 2 0 347.425 2.416 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](CC)CC ZINC001185609040 1278716013 /nfs/dbraw/zinc/71/60/13/1278716013.db2.gz BNVQNHAJBSBHON-RTBURBONSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185751320 1278785250 /nfs/dbraw/zinc/78/52/50/1278785250.db2.gz OZWYNSOWIHKKBB-ROUUACIJSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC001152330477 1284548746 /nfs/dbraw/zinc/54/87/46/1284548746.db2.gz OVRAWKKQYGXHJJ-UHFFFAOYSA-N 2 0 339.483 2.115 20 30 EEEDRP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484424 1284625566 /nfs/dbraw/zinc/62/55/66/1284625566.db2.gz DDVGWLSLKIAXMX-GOSISDBHSA-N 2 0 339.524 2.090 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313541 1284933291 /nfs/dbraw/zinc/93/32/91/1284933291.db2.gz SOGFROUNAHSKNB-IBGZPJMESA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1OC ZINC001198902094 1285402311 /nfs/dbraw/zinc/40/23/11/1285402311.db2.gz DOMYQPBKUGTUSM-FUHWJXTLSA-N 2 0 345.487 2.360 20 30 EEEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060175 1289893475 /nfs/dbraw/zinc/89/34/75/1289893475.db2.gz TYMOERPUAWEXOR-QZTJIDSGSA-N 2 0 339.524 2.116 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001211234142 1295772630 /nfs/dbraw/zinc/77/26/30/1295772630.db2.gz VJARZIAFPIDTTC-VOFKWLDRSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753906 1296160512 /nfs/dbraw/zinc/16/05/12/1296160512.db2.gz PBDONTLDCYBSSI-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772498 1297285131 /nfs/dbraw/zinc/28/51/31/1297285131.db2.gz DLGCDAFNXRMRDC-GDBMZVCRSA-N 2 0 327.900 2.442 20 30 EEEDRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001220643784 1298488005 /nfs/dbraw/zinc/48/80/05/1298488005.db2.gz SRGLXDHFNREAJI-SJLPKXTDSA-N 2 0 340.471 2.049 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121599 1298669836 /nfs/dbraw/zinc/66/98/36/1298669836.db2.gz LCTKZSJLBYOLQM-KRWDZBQOSA-N 2 0 330.476 2.240 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642732 1298972366 /nfs/dbraw/zinc/97/23/66/1298972366.db2.gz FKAWTXIYMYMBCI-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659488 1298977540 /nfs/dbraw/zinc/97/75/40/1298977540.db2.gz QORREUKQQYKKIG-SJLPKXTDSA-N 2 0 328.460 2.017 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001099503510 1299173339 /nfs/dbraw/zinc/17/33/39/1299173339.db2.gz CQIVFXAVPFYKRD-OKYOBFRVSA-N 2 0 343.515 2.053 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001099547248 1299208185 /nfs/dbraw/zinc/20/81/85/1299208185.db2.gz BMGGVMHOOVIPLB-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112072147 1304202915 /nfs/dbraw/zinc/20/29/15/1304202915.db2.gz LJSNGMDUFJGADU-MCIONIFRSA-N 2 0 333.398 2.026 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001112359723 1304490973 /nfs/dbraw/zinc/49/09/73/1304490973.db2.gz HDFVNOBPGWFBHS-HPFXQQBRSA-N 2 0 339.911 2.297 20 30 EEEDRP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)c1 ZINC001235352631 1305203414 /nfs/dbraw/zinc/20/34/14/1305203414.db2.gz QNHFDJGHKWVOHT-ICSRJNTNSA-N 2 0 326.440 2.033 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799346200 1305234107 /nfs/dbraw/zinc/23/41/07/1305234107.db2.gz GFFZOGFGPPHZGT-UHFFFAOYSA-N 2 0 349.906 2.468 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)CCN(C)c2cc[nH+]cc2)CCCCC1 ZINC001115606937 1305496789 /nfs/dbraw/zinc/49/67/89/1305496789.db2.gz RPPJQCFGTPXJPS-UHFFFAOYSA-N 2 0 342.487 2.340 20 30 EEEDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1C#Cc1ccccc1 ZINC001236083103 1305498611 /nfs/dbraw/zinc/49/86/11/1305498611.db2.gz NTMAGBDTYDCTOZ-UHFFFAOYSA-N 2 0 333.479 2.423 20 30 EEEDRP C=CCC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCCCC1 ZINC001115770254 1305754938 /nfs/dbraw/zinc/75/49/38/1305754938.db2.gz RZUDSLUEEYGXRZ-UHFFFAOYSA-N 2 0 347.507 2.043 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001160866294 1320296252 /nfs/dbraw/zinc/29/62/52/1320296252.db2.gz AMPYTYPYFBGDDG-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152223964 1316647424 /nfs/dbraw/zinc/64/74/24/1316647424.db2.gz PCULVNJKWCFZKU-UHFFFAOYSA-N 2 0 347.890 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC001152334602 1316658111 /nfs/dbraw/zinc/65/81/11/1316658111.db2.gz KAVIBVLDELCRMN-OAHLLOKOSA-N 2 0 347.890 2.452 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152451818 1316672662 /nfs/dbraw/zinc/67/26/62/1316672662.db2.gz IMEPKEMYJHCTHT-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904251 1317377854 /nfs/dbraw/zinc/37/78/54/1317377854.db2.gz QMWIGNQIMUGQGD-QGZVFWFLSA-N 2 0 347.478 2.346 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206653956 1317502384 /nfs/dbraw/zinc/50/23/84/1317502384.db2.gz PTBAFOASIQDXIW-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249940 1317521928 /nfs/dbraw/zinc/52/19/28/1317521928.db2.gz VLRWDEILDGJQML-QGZVFWFLSA-N 2 0 329.488 2.254 20 30 EEEDRP C=CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469008 1317608807 /nfs/dbraw/zinc/60/88/07/1317608807.db2.gz SZXPRCBMQYTRTN-VQTJNVASSA-N 2 0 330.472 2.148 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474018 1317612363 /nfs/dbraw/zinc/61/23/63/1317612363.db2.gz UYUHDYFAODIISD-HSALFYBXSA-N 2 0 330.472 2.004 20 30 EEEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001252620858 1317647493 /nfs/dbraw/zinc/64/74/93/1317647493.db2.gz PSIQPTCQCNRXQB-VAMGGRTRSA-N 2 0 335.536 2.242 20 30 EEEDRP N#Cc1ccc(OCC[NH2+]C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256684547 1318830201 /nfs/dbraw/zinc/83/02/01/1318830201.db2.gz SQJKOYNUOSYZAL-UHFFFAOYSA-N 2 0 329.444 2.170 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)s1 ZINC001158040744 1318981293 /nfs/dbraw/zinc/98/12/93/1318981293.db2.gz YYFIPYOBTLBHAI-HUUCEWRRSA-N 2 0 346.500 2.090 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131247 1320078106 /nfs/dbraw/zinc/07/81/06/1320078106.db2.gz IKEFZZLWYNHLNJ-OALUTQOASA-N 2 0 329.488 2.023 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001161212815 1320422121 /nfs/dbraw/zinc/42/21/21/1320422121.db2.gz BAWUISAARAZQMG-HXUWFJFHSA-N 2 0 349.494 2.361 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924808 1320678054 /nfs/dbraw/zinc/67/80/54/1320678054.db2.gz LXJKPWUJPATPMU-QZTJIDSGSA-N 2 0 349.519 2.200 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952966 1320692735 /nfs/dbraw/zinc/69/27/35/1320692735.db2.gz NBDAWVFRWWVNJT-IBGZPJMESA-N 2 0 349.519 2.202 20 30 EEEDRP C=CCC[NH2+]C1CCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC001203861647 1321976994 /nfs/dbraw/zinc/97/69/94/1321976994.db2.gz OJIFXUYCZHZNEY-UHFFFAOYSA-N 2 0 333.501 2.263 20 30 EEEDRP N#Cc1ccccc1CN1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001204368171 1322131049 /nfs/dbraw/zinc/13/10/49/1322131049.db2.gz USEXPQDUHLYRSF-UHFFFAOYSA-N 2 0 335.455 2.409 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518873 1323173886 /nfs/dbraw/zinc/17/38/86/1323173886.db2.gz NUXYLJKELHWTOG-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205644662 1323226816 /nfs/dbraw/zinc/22/68/16/1323226816.db2.gz DRVJAEPESBYKAS-FUHWJXTLSA-N 2 0 333.451 2.238 20 30 EEEDRP C=CCc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001276684319 1325289742 /nfs/dbraw/zinc/28/97/42/1325289742.db2.gz BQQQUJRMFCWQGW-OALUTQOASA-N 2 0 329.488 2.331 20 30 EEEDRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001492129869 1330982904 /nfs/dbraw/zinc/98/29/04/1330982904.db2.gz TUNKOPVMMUWZHX-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C#N)cc1F ZINC001650189940 1353766378 /nfs/dbraw/zinc/76/63/78/1353766378.db2.gz KXLGPZFZHAIUBS-UHFFFAOYSA-N 2 0 334.439 2.043 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCCC1 ZINC001134757553 1367781999 /nfs/dbraw/zinc/78/19/99/1367781999.db2.gz PNYKJBXJFWKLST-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001389361143 1388072380 /nfs/dbraw/zinc/07/23/80/1388072380.db2.gz PVJMUONQQFHEKN-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001117781635 1371761978 /nfs/dbraw/zinc/76/19/78/1371761978.db2.gz IXNCTTQQOHKKBH-FQEVSTJZSA-N 2 0 341.499 2.421 20 30 EEEDRP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001121682221 1371912916 /nfs/dbraw/zinc/91/29/16/1371912916.db2.gz NVJGTQDFQSFBHR-SJORKVTESA-N 2 0 346.523 2.399 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202979776 1372533384 /nfs/dbraw/zinc/53/33/84/1372533384.db2.gz POQMLDDAAUVPKN-HZPDHXFCSA-N 2 0 345.512 2.464 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001365838454 1373767320 /nfs/dbraw/zinc/76/73/20/1373767320.db2.gz CBAQGSKNESBTSW-CKEIUWERSA-N 2 0 348.516 2.190 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001389878183 1388344007 /nfs/dbraw/zinc/34/40/07/1388344007.db2.gz AEZJIMYFYMERQO-JOCQHMNTSA-N 2 0 346.313 2.110 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001370887888 1375102388 /nfs/dbraw/zinc/10/23/88/1375102388.db2.gz RUKCCMJBAMGPCS-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(F)c(C#N)c1 ZINC001372362211 1375962760 /nfs/dbraw/zinc/96/27/60/1375962760.db2.gz PSBCKVQRLZOEDC-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001375779772 1377998767 /nfs/dbraw/zinc/99/87/67/1377998767.db2.gz BANXIBFJUDLALB-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323552 1379865826 /nfs/dbraw/zinc/86/58/26/1379865826.db2.gz YQVMYXTTXGKDQN-MSOLQXFVSA-N 2 0 330.476 2.129 20 30 EEEDRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001382136832 1381998930 /nfs/dbraw/zinc/99/89/30/1381998930.db2.gz ILGXNBNYBMEXNS-OAHLLOKOSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Br)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001392251536 1389927911 /nfs/dbraw/zinc/92/79/11/1389927911.db2.gz VHNZFKKFONWKEY-KGLIPLIRSA-N 2 0 348.329 2.212 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001392509315 1390072099 /nfs/dbraw/zinc/07/20/99/1390072099.db2.gz GIOUYROKNSTEKQ-OAHLLOKOSA-N 2 0 330.476 2.130 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001398203762 1391824506 /nfs/dbraw/zinc/82/45/06/1391824506.db2.gz PXEUPPJXNOKYEE-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400808006 1396602654 /nfs/dbraw/zinc/60/26/54/1396602654.db2.gz CTJNASXWYLLTFU-ZDUSSCGKSA-N 2 0 334.489 2.088 20 30 EEEDRP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001402397012 1397975649 /nfs/dbraw/zinc/97/56/49/1397975649.db2.gz QGOBCLQJEDQFJP-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001755116336 1407126826 /nfs/dbraw/zinc/12/68/26/1407126826.db2.gz LVJMYFOQDRNIQE-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574515921 1403521530 /nfs/dbraw/zinc/52/15/30/1403521530.db2.gz BEPVZAPHFITKDK-GHTZIAJQSA-N 2 0 339.483 2.255 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001574970605 1403529339 /nfs/dbraw/zinc/52/93/39/1403529339.db2.gz WLYRRFGIZYLJNI-INIZCTEOSA-N 2 0 331.485 2.223 20 30 EEEDRP N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCCCC[NH3+])CC1 ZINC001580081962 1403823002 /nfs/dbraw/zinc/82/30/02/1403823002.db2.gz XBQDSQJYTUMDRA-UHFFFAOYSA-N 2 0 343.431 2.447 20 30 EEEDRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001733906247 1406019726 /nfs/dbraw/zinc/01/97/26/1406019726.db2.gz WVIUHBIUNNSGGH-INIZCTEOSA-N 2 0 345.462 2.003 20 30 EEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001755573456 1407644702 /nfs/dbraw/zinc/64/47/02/1407644702.db2.gz REXDYYRKWYDJQE-RTBURBONSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001755619260 1407687754 /nfs/dbraw/zinc/68/77/54/1407687754.db2.gz VATGRCLZDGSTCT-ZWKOTPCHSA-N 2 0 335.536 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@@H]2CC)CC1 ZINC001087840359 782349637 /nfs/dbraw/zinc/34/96/37/782349637.db2.gz UGVDTNANDONLBZ-RBUKOAKNSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942442813 782438097 /nfs/dbraw/zinc/43/80/97/782438097.db2.gz AKYNQNJNEDFXDX-WBVHZDCISA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461601 760934229 /nfs/dbraw/zinc/93/42/29/760934229.db2.gz MBAVQPIOLIYSLR-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001098606129 765201605 /nfs/dbraw/zinc/20/16/05/765201605.db2.gz OAKWIIFDORXUFK-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437780 770028251 /nfs/dbraw/zinc/02/82/51/770028251.db2.gz JKVIGBSFCKAUBE-KZNAEPCWSA-N 2 0 339.524 2.257 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565703 770431168 /nfs/dbraw/zinc/43/11/68/770431168.db2.gz XGDZBBZLPMDTEW-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980150082 773954682 /nfs/dbraw/zinc/95/46/82/773954682.db2.gz WOSMOXGLHAASLS-CGTJXYLNSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980150095 773955014 /nfs/dbraw/zinc/95/50/14/773955014.db2.gz WOSMOXGLHAASLS-SZMVWBNQSA-N 2 0 336.439 2.188 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980212177 774103529 /nfs/dbraw/zinc/10/35/29/774103529.db2.gz IGEBEGLMKULNAT-JYJNAYRXSA-N 2 0 328.460 2.164 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC000980248978 774160805 /nfs/dbraw/zinc/16/08/05/774160805.db2.gz XGYHEMFSFHSPKZ-UFYCRDLUSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997613287 790447233 /nfs/dbraw/zinc/44/72/33/790447233.db2.gz IAXUICKIJVUGID-LPHOPBHVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767726 778165025 /nfs/dbraw/zinc/16/50/25/778165025.db2.gz UUVJFHFKCDUWJO-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC000982168968 779208553 /nfs/dbraw/zinc/20/85/53/779208553.db2.gz JYCYSDFRWBJYQB-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001127701097 779784628 /nfs/dbraw/zinc/78/46/28/779784628.db2.gz IFQWNFNPSBYSQW-FUHWJXTLSA-N 2 0 347.890 2.128 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001131836994 783336062 /nfs/dbraw/zinc/33/60/62/783336062.db2.gz KAPUTNDAURMYON-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135314491 783596625 /nfs/dbraw/zinc/59/66/25/783596625.db2.gz BTHAYFHLZCMTOO-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571579 784704764 /nfs/dbraw/zinc/70/47/64/784704764.db2.gz FCSNGNPBRRWKKZ-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135922925 784802259 /nfs/dbraw/zinc/80/22/59/784802259.db2.gz DHGZRROXJZIVIU-DLBZAZTESA-N 2 0 327.513 2.184 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(C#N)s1 ZINC001135939111 784831566 /nfs/dbraw/zinc/83/15/66/784831566.db2.gz UMLOMQCQLICLBZ-KGLIPLIRSA-N 2 0 346.500 2.088 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299806 786234275 /nfs/dbraw/zinc/23/42/75/786234275.db2.gz DOFVMHKSOGAJJZ-KDOFPFPSSA-N 2 0 325.472 2.212 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552450 787608059 /nfs/dbraw/zinc/60/80/59/787608059.db2.gz NKZWOJVAPCACSA-NLWGTHIKSA-N 2 0 349.519 2.034 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109653039 805830466 /nfs/dbraw/zinc/83/04/66/805830466.db2.gz LEQWTWGCMXDGIU-QYZOEREBSA-N 2 0 340.471 2.122 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816135 788523184 /nfs/dbraw/zinc/52/31/84/788523184.db2.gz AWXJNUNLFXHOHM-PKOBYXMFSA-N 2 0 339.524 2.258 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)CN2CCCC[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000923282620 789295465 /nfs/dbraw/zinc/29/54/65/789295465.db2.gz UVJGOYWGXZNNAA-CGTJXYLNSA-N 2 0 348.487 2.365 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ccnc2C)C1 ZINC001089909698 789828766 /nfs/dbraw/zinc/82/87/66/789828766.db2.gz YELRFLKCOFUTCA-QAETUUGQSA-N 2 0 348.878 2.113 20 30 EEEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001171220784 790125156 /nfs/dbraw/zinc/12/51/56/790125156.db2.gz BYHRUZUWYABDCH-GOSISDBHSA-N 2 0 326.488 2.203 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206030556 806099847 /nfs/dbraw/zinc/09/98/47/806099847.db2.gz BIINOPTWNZKGCQ-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CC=C)CC2)CC1 ZINC000998195710 792200930 /nfs/dbraw/zinc/20/09/30/792200930.db2.gz GXBBIGWHSPFMQP-IBGZPJMESA-N 2 0 331.504 2.221 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091685030 792225711 /nfs/dbraw/zinc/22/57/11/792225711.db2.gz YRQPKWHMTUCPOK-HPFXQQBRSA-N 2 0 339.911 2.250 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298822 792503664 /nfs/dbraw/zinc/50/36/64/792503664.db2.gz YYRZJNUIUYBEMZ-KGLIPLIRSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071201 793534581 /nfs/dbraw/zinc/53/45/81/793534581.db2.gz LNOUYQQWORRWBD-HBFSDRIKSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941975 794271619 /nfs/dbraw/zinc/27/16/19/794271619.db2.gz NMPDZKGPHSZGQN-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000999409631 794425396 /nfs/dbraw/zinc/42/53/96/794425396.db2.gz RGAXHXMPVVHXJO-WLYUNCDWSA-N 2 0 346.500 2.041 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000999490147 794592421 /nfs/dbraw/zinc/59/24/21/794592421.db2.gz POIWDAWZEYTCNI-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120546 794652836 /nfs/dbraw/zinc/65/28/36/794652836.db2.gz KZEFYHAMPGQHTR-QRVBRYPASA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001093360953 795086720 /nfs/dbraw/zinc/08/67/20/795086720.db2.gz GOGSGMIPSOMIPI-RTBURBONSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001106600322 795923917 /nfs/dbraw/zinc/92/39/17/795923917.db2.gz YAGMYJHVAMGHQR-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001094567575 796408703 /nfs/dbraw/zinc/40/87/03/796408703.db2.gz DTSWINCJKUNTLM-RLLQIKCJSA-N 2 0 331.504 2.409 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCC)CC3)CC1 ZINC001094582440 796423321 /nfs/dbraw/zinc/42/33/21/796423321.db2.gz OEGAHGDVZQISAD-TZIWHRDSSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078688876 796869311 /nfs/dbraw/zinc/86/93/11/796869311.db2.gz XFCUNRARRCFDOU-RBUKOAKNSA-N 2 0 339.483 2.055 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054059891 796993988 /nfs/dbraw/zinc/99/39/88/796993988.db2.gz AFFFTBSIETZTNL-MOPGFXCFSA-N 2 0 327.472 2.057 20 30 EEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262734 798060083 /nfs/dbraw/zinc/06/00/83/798060083.db2.gz LCTXVIFMIPSBNA-LPHOPBHVSA-N 2 0 339.499 2.487 20 30 EEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001175324982 798076699 /nfs/dbraw/zinc/07/66/99/798076699.db2.gz FZXBXJGPSFBMHI-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581019 798167510 /nfs/dbraw/zinc/16/75/10/798167510.db2.gz HGELBIZZHUFJQG-QGZVFWFLSA-N 2 0 339.524 2.186 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998185 798600569 /nfs/dbraw/zinc/60/05/69/798600569.db2.gz YXFAYEBKSBPORW-NZSAHSFTSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001177416237 798934004 /nfs/dbraw/zinc/93/40/04/798934004.db2.gz WZUMXGYMFPIFTJ-MJGOQNOKSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182401271 801153010 /nfs/dbraw/zinc/15/30/10/801153010.db2.gz FHWSPSPDHYOITA-DNVCBOLYSA-N 2 0 331.460 2.052 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001183758956 801724714 /nfs/dbraw/zinc/72/47/14/801724714.db2.gz BPWVBNLUBNAWSQ-MRXNPFEDSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000186597557 802130310 /nfs/dbraw/zinc/13/03/10/802130310.db2.gz GVIYAMPVMHXZIW-SJORKVTESA-N 2 0 330.476 2.266 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230635 802168798 /nfs/dbraw/zinc/16/87/98/802168798.db2.gz OTSAJAKLVMUWPC-MSOLQXFVSA-N 2 0 331.504 2.291 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001185071663 802336146 /nfs/dbraw/zinc/33/61/46/802336146.db2.gz ACDAIPRKEXYASD-LPHOPBHVSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001185072935 802336940 /nfs/dbraw/zinc/33/69/40/802336940.db2.gz LBTGWRHWOZAHEK-FUHWJXTLSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004549380 802351087 /nfs/dbraw/zinc/35/10/87/802351087.db2.gz YOERFWNGTGKMAP-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004619040 802496357 /nfs/dbraw/zinc/49/63/57/802496357.db2.gz JPKIYNGMKXWOLV-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004620874 802500200 /nfs/dbraw/zinc/50/02/00/802500200.db2.gz RZBYWWPQFXHLGT-LJQANCHMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662703 802723763 /nfs/dbraw/zinc/72/37/63/802723763.db2.gz JVKMYJJURRKLIY-HDICACEKSA-N 2 0 336.439 2.142 20 30 EEEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@H]1CCN(C2CC2)C1 ZINC000086500777 802793041 /nfs/dbraw/zinc/79/30/41/802793041.db2.gz GYYVRBNJXAGZBA-LBPRGKRZSA-N 2 0 335.521 2.342 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421054 803506097 /nfs/dbraw/zinc/50/60/97/803506097.db2.gz GKJKXSDBIWQVCY-MJGOQNOKSA-N 2 0 337.508 2.034 20 30 EEEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156373908 804015037 /nfs/dbraw/zinc/01/50/37/804015037.db2.gz DOKJKKMVAFSGAO-QGZVFWFLSA-N 2 0 329.529 2.362 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834629 804560212 /nfs/dbraw/zinc/56/02/12/804560212.db2.gz WXHJMXQSAUMWSA-FHWLQOOXSA-N 2 0 331.504 2.245 20 30 EEEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H](CO)c3ccccc3)cc2)CC1 ZINC000788456347 807533515 /nfs/dbraw/zinc/53/35/15/807533515.db2.gz SPPBRBRCIWUSBH-HXUWFJFHSA-N 2 0 338.455 2.096 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)CCC)C1 ZINC001130446551 811653567 /nfs/dbraw/zinc/65/35/67/811653567.db2.gz NZLNWUBBVHPIFE-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131464578 812865929 /nfs/dbraw/zinc/86/59/29/812865929.db2.gz WGCHHAYRWMAZBZ-QRVBRYPASA-N 2 0 349.519 2.033 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001436934224 1088605866 /nfs/dbraw/zinc/60/58/66/1088605866.db2.gz HYKBWKBEKQMSRS-SHTZXODSSA-N 2 0 346.500 2.233 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001437320809 1089482466 /nfs/dbraw/zinc/48/24/66/1089482466.db2.gz BNSKAKYTNOGECW-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001437940575 1090534311 /nfs/dbraw/zinc/53/43/11/1090534311.db2.gz BDINDKGLVYTUPG-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccccc1C#N ZINC001438326059 1090799726 /nfs/dbraw/zinc/79/97/26/1090799726.db2.gz NNEHDSLEZZMNEZ-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001438961773 1091653392 /nfs/dbraw/zinc/65/33/92/1091653392.db2.gz MCUUIMYFGPMWEN-JKSUJKDBSA-N 2 0 327.900 2.489 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001440599558 1093864296 /nfs/dbraw/zinc/86/42/96/1093864296.db2.gz PDBNCVQPHRGRGY-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480303037 1100021802 /nfs/dbraw/zinc/02/18/02/1100021802.db2.gz BTFIJKIZTNELKF-INIZCTEOSA-N 2 0 327.900 2.443 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001446495476 1100939179 /nfs/dbraw/zinc/93/91/79/1100939179.db2.gz MYHJICXSOUWWRE-INIZCTEOSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1)[NH+](C)C ZINC001447241222 1102271587 /nfs/dbraw/zinc/27/15/87/1102271587.db2.gz YJVFEQZIFAMCJX-HNNXBMFYSA-N 2 0 334.489 2.088 20 30 EEEDRP N#Cc1ccc([C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601360 164348400 /nfs/dbraw/zinc/34/84/00/164348400.db2.gz XEMMDEJXNOWPGN-AZUAARDMSA-N 2 0 348.450 2.196 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000491697123 275383415 /nfs/dbraw/zinc/38/34/15/275383415.db2.gz PHNQCXQSSCISGD-UHFFFAOYSA-N 2 0 339.439 2.141 20 30 EEEDRP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000565300183 319170457 /nfs/dbraw/zinc/17/04/57/319170457.db2.gz OJRNKRWPTNEADT-UHFFFAOYSA-N 2 0 349.500 2.188 20 30 EEEDRP N#Cc1ccsc1NC(=O)CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150767194 463423644 /nfs/dbraw/zinc/42/36/44/463423644.db2.gz MGQALCCIZJRSJA-AWEZNQCLSA-N 2 0 332.473 2.366 20 30 EEEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150834656 463437160 /nfs/dbraw/zinc/43/71/60/463437160.db2.gz XJOXBUAPWMEIOS-INIZCTEOSA-N 2 0 326.444 2.305 20 30 EEEDRP C=CC[NH+]1CCC(NC(NC[C@H]2CCOc3ccccc32)=[NH+]C)CC1 ZINC000262802275 464046331 /nfs/dbraw/zinc/04/63/31/464046331.db2.gz RMKMQKKMCWPMKK-MRXNPFEDSA-N 2 0 342.487 2.368 20 30 EEEDRP CCCCOc1ncccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000264075644 464279909 /nfs/dbraw/zinc/27/99/09/464279909.db2.gz FQVKTPVAISXNSM-MRXNPFEDSA-N 2 0 333.480 2.149 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000359218221 465387725 /nfs/dbraw/zinc/38/77/25/465387725.db2.gz DFJUPZCAVJOZQY-AEFFLSMTSA-N 2 0 334.508 2.221 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000348829821 465825104 /nfs/dbraw/zinc/82/51/04/465825104.db2.gz AHDWTPDDWCCRPW-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000424143857 466989577 /nfs/dbraw/zinc/98/95/77/466989577.db2.gz GOZSKRSHEVIGBJ-SFHVURJKSA-N 2 0 328.460 2.131 20 30 EEEDRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000570837074 468701740 /nfs/dbraw/zinc/70/17/40/468701740.db2.gz PRLVWIGUKNJLDG-SJLPKXTDSA-N 2 0 331.460 2.152 20 30 EEEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504377 468879384 /nfs/dbraw/zinc/87/93/84/468879384.db2.gz HUWRLUQBZWVDRP-IBGZPJMESA-N 2 0 326.444 2.305 20 30 EEEDRP C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426624 469393103 /nfs/dbraw/zinc/39/31/03/469393103.db2.gz CDLUEDHIIRMEGN-XLIONFOSSA-N 2 0 342.487 2.005 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000764076971 577730759 /nfs/dbraw/zinc/73/07/59/577730759.db2.gz RTKIYQZPLFGLKH-SFHVURJKSA-N 2 0 333.476 2.312 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC000970792758 676154190 /nfs/dbraw/zinc/15/41/90/676154190.db2.gz UYCYRWFPKNADNW-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021091099 675716770 /nfs/dbraw/zinc/71/67/70/675716770.db2.gz RROWFXATDLQRGK-KBUPBQIOSA-N 2 0 346.500 2.229 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891521410 676684402 /nfs/dbraw/zinc/68/44/02/676684402.db2.gz WVSIGOGEQGDNMC-LJQANCHMSA-N 2 0 342.487 2.041 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971717999 676757834 /nfs/dbraw/zinc/75/78/34/676757834.db2.gz AMESIMWWFWRGGA-KZNAEPCWSA-N 2 0 349.438 2.118 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000971735844 676766865 /nfs/dbraw/zinc/76/68/65/676766865.db2.gz MMEHMCMHABPMEZ-PBHICJAKSA-N 2 0 348.516 2.239 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534402 677831359 /nfs/dbraw/zinc/83/13/59/677831359.db2.gz TXIAQOQSNYMQCF-BETUJISGSA-N 2 0 344.297 2.006 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000176664946 678357144 /nfs/dbraw/zinc/35/71/44/678357144.db2.gz VQJRZMDYNBSVEA-VQIMIIECSA-N 2 0 336.524 2.229 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972401503 678686185 /nfs/dbraw/zinc/68/61/85/678686185.db2.gz CBXWLRJUKVYCKT-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754986 682101903 /nfs/dbraw/zinc/10/19/03/682101903.db2.gz DPAGOBKOAXHNEK-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301262 682414368 /nfs/dbraw/zinc/41/43/68/682414368.db2.gz IMXFPTDSVKLDHO-MOPGFXCFSA-N 2 0 331.504 2.341 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492778 682918609 /nfs/dbraw/zinc/91/86/09/682918609.db2.gz FBWOZNLWVOUUCV-IEBWSBKVSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801455 683966252 /nfs/dbraw/zinc/96/62/52/683966252.db2.gz NGQQNAYCVRSGEA-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001026385557 684519316 /nfs/dbraw/zinc/51/93/16/684519316.db2.gz CWNXQWITLXHGBC-YESZJQIVSA-N 2 0 339.911 2.297 20 30 EEEDRP CC[NH+]=C(NCC[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262364347 685660355 /nfs/dbraw/zinc/66/03/55/685660355.db2.gz DGLLMTBEPVULBZ-GVDBMIGSSA-N 2 0 336.524 2.231 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000262375823 685690997 /nfs/dbraw/zinc/69/09/97/685690997.db2.gz JLYNGFRQXPMUOL-TWMKSMIVSA-N 2 0 336.524 2.182 20 30 EEEDRP CC[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCC2(C1)CCOCC2 ZINC000262764409 688387695 /nfs/dbraw/zinc/38/76/95/688387695.db2.gz FKZYYNXSECPWCD-UHFFFAOYSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233293 691648113 /nfs/dbraw/zinc/64/81/13/691648113.db2.gz YGHVNFKAKXPQJY-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978144970 693331604 /nfs/dbraw/zinc/33/16/04/693331604.db2.gz NPQVWXGMPCQQRG-OWYHZJEWSA-N 2 0 331.504 2.121 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947909231 1192501106 /nfs/dbraw/zinc/50/11/06/1192501106.db2.gz YGSUHHNTHCEBGA-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccc(C#N)s1 ZINC001486178761 1193716328 /nfs/dbraw/zinc/71/63/28/1193716328.db2.gz DWODVYZEAOROSD-WMLDXEAASA-N 2 0 348.516 2.431 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482330578 1185414469 /nfs/dbraw/zinc/41/44/69/1185414469.db2.gz KIDTVVASXPWKQB-CYBMUJFWSA-N 2 0 348.329 2.309 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)C[C@@H]2C)CC1 ZINC000945177590 1193413830 /nfs/dbraw/zinc/41/38/30/1193413830.db2.gz BKFOCKMKKHRLNE-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112193391 1186716982 /nfs/dbraw/zinc/71/69/82/1186716982.db2.gz YCHUAFCLXBEFCH-RBSFLKMASA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517399 1188134630 /nfs/dbraw/zinc/13/46/30/1188134630.db2.gz BNYCNWGURYYHLO-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576475 1188190453 /nfs/dbraw/zinc/19/04/53/1188190453.db2.gz FEUAWIQENOKVPF-GOSISDBHSA-N 2 0 331.504 2.247 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001752920346 1190906253 /nfs/dbraw/zinc/90/62/53/1190906253.db2.gz BMEPUMZJFIWJMJ-ADKAHSJRSA-N 2 0 333.520 2.252 20 30 EEEDRP C#CCN1CC[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039350 1194343851 /nfs/dbraw/zinc/34/38/51/1194343851.db2.gz OWVMAWBPAVEJHW-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818019 1194440874 /nfs/dbraw/zinc/44/08/74/1194440874.db2.gz ALYBXPBUGGNMJF-ZGXWSNOMSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001033934998 1195543987 /nfs/dbraw/zinc/54/39/87/1195543987.db2.gz BAHGIZVDTDJLAQ-FUHWJXTLSA-N 2 0 330.476 2.253 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001034045497 1195697295 /nfs/dbraw/zinc/69/72/95/1195697295.db2.gz JWYSRSCRSAFKDT-SJLPKXTDSA-N 2 0 337.483 2.003 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396319 1196186721 /nfs/dbraw/zinc/18/67/21/1196186721.db2.gz DUSXRCHNWPRIQK-QFBILLFUSA-N 2 0 337.483 2.193 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441472 1199726716 /nfs/dbraw/zinc/72/67/16/1199726716.db2.gz PRSMLBPWXLDEDI-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132832235 1200095485 /nfs/dbraw/zinc/09/54/85/1200095485.db2.gz UDQHPURSLULSST-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001133410554 1200880180 /nfs/dbraw/zinc/88/01/80/1200880180.db2.gz NCCANKWPBJGRQN-INIZCTEOSA-N 2 0 335.879 2.396 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)CC2)c1 ZINC000870950850 1200973711 /nfs/dbraw/zinc/97/37/11/1200973711.db2.gz OJWGYTGVFKNDSR-HDICACEKSA-N 2 0 340.471 2.156 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCOCC1 ZINC000104173717 1204612582 /nfs/dbraw/zinc/61/25/82/1204612582.db2.gz HIBMOBQNZQNXOW-GOSISDBHSA-N 2 0 344.503 2.123 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001274920784 1205210560 /nfs/dbraw/zinc/21/05/60/1205210560.db2.gz ORYYJVISXZTMNH-OYRHEFFESA-N 2 0 340.515 2.306 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3C#N)C[C@H]2CC1 ZINC001275597372 1205436853 /nfs/dbraw/zinc/43/68/53/1205436853.db2.gz LDAZMZMGFPPKQK-HDICACEKSA-N 2 0 344.478 2.403 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568097 1208624100 /nfs/dbraw/zinc/62/41/00/1208624100.db2.gz JDEBINRDLFFPJL-PKOBYXMFSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432444 1209135218 /nfs/dbraw/zinc/13/52/18/1209135218.db2.gz GWYITFHVAICDHP-PKOBYXMFSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC=C(C)C)CC2)CC1 ZINC001006446068 1209794596 /nfs/dbraw/zinc/79/45/96/1209794596.db2.gz TYWHVDNNSAFYLI-UHFFFAOYSA-N 2 0 331.504 2.221 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)cc1Cl ZINC000304758920 1216103157 /nfs/dbraw/zinc/10/31/57/1216103157.db2.gz QPIGVSJZDXCORV-AWEZNQCLSA-N 2 0 326.847 2.410 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961342225 1217150228 /nfs/dbraw/zinc/15/02/28/1217150228.db2.gz QHFFZURGNMHURB-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390962 1217588136 /nfs/dbraw/zinc/58/81/36/1217588136.db2.gz PLGCKMJFWOXXKF-SJLPKXTDSA-N 2 0 340.471 2.097 20 30 EEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000965062273 1218866553 /nfs/dbraw/zinc/86/65/53/1218866553.db2.gz HSUSLQPKFIWYRE-BCOZGUIHSA-N 2 0 337.483 2.402 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419414 1221289608 /nfs/dbraw/zinc/28/96/08/1221289608.db2.gz ULWUJRFGNCBEIW-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674457 1221482783 /nfs/dbraw/zinc/48/27/83/1221482783.db2.gz QZAAQJCNCASOKI-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674456 1221482879 /nfs/dbraw/zinc/48/28/79/1221482879.db2.gz QZAAQJCNCASOKI-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000968861226 1221629814 /nfs/dbraw/zinc/62/98/14/1221629814.db2.gz KEUOVWPNEHISKH-MAUKXSAKSA-N 2 0 345.491 2.337 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968966763 1221705293 /nfs/dbraw/zinc/70/52/93/1221705293.db2.gz AXVRMGCLISVYFL-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505481 1222893630 /nfs/dbraw/zinc/89/36/30/1222893630.db2.gz AFXDNQNDJWAKGJ-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018938543 1228552164 /nfs/dbraw/zinc/55/21/64/1228552164.db2.gz SAZMROCGCJVBCO-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139215 1230353595 /nfs/dbraw/zinc/35/35/95/1230353595.db2.gz FRMGWRRJFDPRTG-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167487 1230390691 /nfs/dbraw/zinc/39/06/91/1230390691.db2.gz VQONTILYJGKPIB-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255610 1230491177 /nfs/dbraw/zinc/49/11/77/1230491177.db2.gz DFEOSGSETXJVBF-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039281611 1230507333 /nfs/dbraw/zinc/50/73/33/1230507333.db2.gz UJDUIDUUNZVTLL-XVLXNVKGSA-N 2 0 331.504 2.406 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200908 1231097482 /nfs/dbraw/zinc/09/74/82/1231097482.db2.gz JHRKOIRJABWEQR-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC001040512555 1231271066 /nfs/dbraw/zinc/27/10/66/1231271066.db2.gz IKPNWGQKKLVDHZ-LJQANCHMSA-N 2 0 330.476 2.243 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743483 1231671623 /nfs/dbraw/zinc/67/16/23/1231671623.db2.gz LMLUVKLXTRZZRA-FQEVSTJZSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C/C=C\Cl)C3)C2)CC1 ZINC001041844557 1231728058 /nfs/dbraw/zinc/72/80/58/1231728058.db2.gz KZWFFBCNYZRATF-LBESIHQVSA-N 2 0 349.906 2.009 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365008 1232047789 /nfs/dbraw/zinc/04/77/89/1232047789.db2.gz ICOOADUQSUKFOI-AZUAARDMSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3CC3)C[C@@H]2C)CC1 ZINC001044871221 1233330833 /nfs/dbraw/zinc/33/08/33/1233330833.db2.gz IPTJPAZIYKFNHF-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(=C)C)CC1 ZINC001045896222 1234128131 /nfs/dbraw/zinc/12/81/31/1234128131.db2.gz YMARKTULCPDVQY-UXHICEINSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943527 1234202281 /nfs/dbraw/zinc/20/22/81/1234202281.db2.gz KGYONYOKEYXGFG-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046471457 1234840204 /nfs/dbraw/zinc/84/02/04/1234840204.db2.gz ZHAMTIKVYYPIAB-SFHVURJKSA-N 2 0 325.416 2.038 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046937294 1235328058 /nfs/dbraw/zinc/32/80/58/1235328058.db2.gz HRAYQICZMRRYBK-LSDHHAIUSA-N 2 0 329.435 2.119 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244542 1235735998 /nfs/dbraw/zinc/73/59/98/1235735998.db2.gz SISYYHSBGUWVAX-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001048480721 1237743470 /nfs/dbraw/zinc/74/34/70/1237743470.db2.gz VKPAJGVJEQXMPK-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290757 1240136434 /nfs/dbraw/zinc/13/64/34/1240136434.db2.gz WDCHEOWEFSUCDH-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001145533 1241724329 /nfs/dbraw/zinc/72/43/29/1241724329.db2.gz SYZBASIWEBUYAR-UHFFFAOYSA-N 2 0 339.483 2.176 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC[C@@H](C)F)CC1 ZINC001049909451 1242657416 /nfs/dbraw/zinc/65/74/16/1242657416.db2.gz BGNQRWSOINMKQF-QRQLOZEOSA-N 2 0 349.494 2.145 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663610 1244075112 /nfs/dbraw/zinc/07/51/12/1244075112.db2.gz WAMWOSAXNTXDIO-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050766064 1244320074 /nfs/dbraw/zinc/32/00/74/1244320074.db2.gz GGPJXSSVJWWBCK-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)CC2)CC1 ZINC001052953754 1245544876 /nfs/dbraw/zinc/54/48/76/1245544876.db2.gz HEKMYRCKXCXTFI-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050050 1245768201 /nfs/dbraw/zinc/76/82/01/1245768201.db2.gz BKEZMHQPZDNVKJ-RTBURBONSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)cc2C1 ZINC001054265924 1247935935 /nfs/dbraw/zinc/93/59/35/1247935935.db2.gz CLGKTWKKRDBMIS-VQTJNVASSA-N 2 0 339.483 2.372 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099519183 1258187955 /nfs/dbraw/zinc/18/79/55/1258187955.db2.gz FYKMNFSJKGXJTJ-FJIDUMEYSA-N 2 0 331.504 2.073 20 30 EEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099583392 1258227253 /nfs/dbraw/zinc/22/72/53/1258227253.db2.gz QDIARDOLUMOYMT-QGZVFWFLSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001192385388 1281960555 /nfs/dbraw/zinc/96/05/55/1281960555.db2.gz GXJAVUHJEVRELH-MOPGFXCFSA-N 2 0 345.462 2.050 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885450 1285411498 /nfs/dbraw/zinc/41/14/98/1285411498.db2.gz IBQHUMCKTPYEHI-SFHVURJKSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001490728334 1291614495 /nfs/dbraw/zinc/61/44/95/1291614495.db2.gz RLWDKZNBOZEMIV-KRWDZBQOSA-N 2 0 339.911 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001211233872 1295771855 /nfs/dbraw/zinc/77/18/55/1295771855.db2.gz QRFCESXNTZVPAQ-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001224583225 1300659590 /nfs/dbraw/zinc/65/95/90/1300659590.db2.gz MTGFDLZKWONLHW-KRWDZBQOSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225142529 1300911734 /nfs/dbraw/zinc/91/17/34/1300911734.db2.gz LEXADLNVGLZBAN-NRFANRHFSA-N 2 0 341.499 2.315 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230274907 1303135784 /nfs/dbraw/zinc/13/57/84/1303135784.db2.gz SHHIINMVHAIEMG-KZNAEPCWSA-N 2 0 337.508 2.080 20 30 EEEDRP C=C(C)CC[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835397 1303489505 /nfs/dbraw/zinc/48/95/05/1303489505.db2.gz DIHMFSPPUHYTSM-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=CCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001277788526 1304497476 /nfs/dbraw/zinc/49/74/76/1304497476.db2.gz KICBFRBPCSHVTB-VQIMIIECSA-N 2 0 345.491 2.061 20 30 EEEDRP N#CC1(NC(=O)[C@H]2CCC[C@@]23CC[N@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821086 1304660030 /nfs/dbraw/zinc/66/00/30/1304660030.db2.gz CRXJKVBYFKLLKC-MJGOQNOKSA-N 2 0 344.503 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2[C@H]3C[N@@H+](CC/C=C/CCC)C[C@@H]23)CC1 ZINC001115289856 1304907481 /nfs/dbraw/zinc/90/74/81/1304907481.db2.gz IIMKGTKGVXLYJM-XIVKTCCCSA-N 2 0 343.515 2.124 20 30 EEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546403 1305319004 /nfs/dbraw/zinc/31/90/04/1305319004.db2.gz KKINLFMBHNPFMZ-ROUUACIJSA-N 2 0 349.519 2.225 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696359 1305630246 /nfs/dbraw/zinc/63/02/46/1305630246.db2.gz RWVJTBSWAKOJFJ-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115706922 1305640657 /nfs/dbraw/zinc/64/06/57/1305640657.db2.gz YDHGGNFDKGYHGU-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237490773 1305957390 /nfs/dbraw/zinc/95/73/90/1305957390.db2.gz AYGIHBIMRYFYEK-UHFFFAOYSA-N 2 0 329.488 2.492 20 30 EEEDRP CCCC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001278224925 1306356366 /nfs/dbraw/zinc/35/63/66/1306356366.db2.gz OMMMYODVIJJCBT-UHFFFAOYSA-N 2 0 346.519 2.335 20 30 EEEDRP COC(=O)[C@@H](C[NH3+])Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240360431 1309312336 /nfs/dbraw/zinc/31/23/36/1309312336.db2.gz FTCBRNTUGKIXAL-LJQANCHMSA-N 2 0 349.434 2.202 20 30 EEEDRP C[NH+]1CCC(n2cc(-c3ncc4c(c3C#N)CCC[NH2+]C4)cn2)CC1 ZINC001242724916 1309707981 /nfs/dbraw/zinc/70/79/81/1309707981.db2.gz IKGLFZBBXFOPBM-UHFFFAOYSA-N 2 0 336.443 2.119 20 30 EEEDRP C=CCCCCCC[C@H](O)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001246059327 1310226165 /nfs/dbraw/zinc/22/61/65/1310226165.db2.gz OXDARKOGGHILTA-IBGZPJMESA-N 2 0 325.541 2.490 20 30 EEEDRP COC(=O)c1ccc(C(=[NH2+])NC2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246303060 1310277163 /nfs/dbraw/zinc/27/71/63/1310277163.db2.gz DYAKBBGQNOMEMQ-UHFFFAOYSA-N 2 0 329.444 2.491 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246310473 1310278482 /nfs/dbraw/zinc/27/84/82/1310278482.db2.gz GSSSFAKTYFFEOK-GBESFXJTSA-N 2 0 345.487 2.296 20 30 EEEDRP N#C[C@@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CCN1 ZINC001246942430 1310473664 /nfs/dbraw/zinc/47/36/64/1310473664.db2.gz LIILQRAIDPFIEA-RBUKOAKNSA-N 2 0 330.451 2.271 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149707039 1316020225 /nfs/dbraw/zinc/02/02/25/1316020225.db2.gz BUIQAFPJWROGTJ-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001149974584 1316111764 /nfs/dbraw/zinc/11/17/64/1316111764.db2.gz NVMULJNYRXTIKN-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761381 1316367011 /nfs/dbraw/zinc/36/70/11/1316367011.db2.gz NGIFLJJPINIOMV-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCC[C@@H](O)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252603956 1317645811 /nfs/dbraw/zinc/64/58/11/1317645811.db2.gz JPYYMAVOVGPJCA-LJQANCHMSA-N 2 0 325.541 2.443 20 30 EEEDRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254663002 1318159456 /nfs/dbraw/zinc/15/94/56/1318159456.db2.gz NJKWNCHYPNSSHN-FCGDIQPGSA-N 2 0 344.503 2.086 20 30 EEEDRP C[NH+]1CCC(N(c2ncc(CC#N)cc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158589196 1319322731 /nfs/dbraw/zinc/32/27/31/1319322731.db2.gz OLRQEHWHJPWRQC-UHFFFAOYSA-N 2 0 347.894 2.454 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472169 1320511471 /nfs/dbraw/zinc/51/14/71/1320511471.db2.gz ORCWAIRXKOQPOF-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879878 1320659594 /nfs/dbraw/zinc/65/95/94/1320659594.db2.gz XYAJNUZCBMVRLH-GOSISDBHSA-N 2 0 349.519 2.059 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001164450137 1321382350 /nfs/dbraw/zinc/38/23/50/1321382350.db2.gz YQKPWACTDCHNSE-FQEVSTJZSA-N 2 0 341.499 2.256 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001166432540 1321719047 /nfs/dbraw/zinc/71/90/47/1321719047.db2.gz IAWRCIRZTKRIBM-GOSISDBHSA-N 2 0 330.476 2.275 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+](CC)CC ZINC001166432531 1321719200 /nfs/dbraw/zinc/71/92/00/1321719200.db2.gz HOUUVLNBEZUXCK-SFHVURJKSA-N 2 0 330.476 2.275 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001166858315 1321803230 /nfs/dbraw/zinc/80/32/30/1321803230.db2.gz OZYLFABQIVINIL-KRWDZBQOSA-N 2 0 335.879 2.128 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557777 1321911810 /nfs/dbraw/zinc/91/18/10/1321911810.db2.gz PKCVARZSWREKTA-ROUUACIJSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC=C(C)C)C23CCC3)CC1 ZINC001203770536 1321957348 /nfs/dbraw/zinc/95/73/48/1321957348.db2.gz HDTFKIMRDKQFOE-RBUKOAKNSA-N 2 0 343.515 2.315 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420046 1323123426 /nfs/dbraw/zinc/12/34/26/1323123426.db2.gz AZAFKODCZUXUHF-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206073625 1323386449 /nfs/dbraw/zinc/38/64/49/1323386449.db2.gz FEEGWSCTDLSKIO-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001352101501 1337892225 /nfs/dbraw/zinc/89/22/25/1337892225.db2.gz DNLIJJMOGFSKTA-MRXNPFEDSA-N 2 0 346.523 2.194 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100674028 1338627757 /nfs/dbraw/zinc/62/77/57/1338627757.db2.gz JQIWGJAXGCWWRH-VNCLNFNDSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001574953439 1343714288 /nfs/dbraw/zinc/71/42/88/1343714288.db2.gz BQFWGSJCJYIJBO-SJORKVTESA-N 2 0 344.507 2.201 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148467 1368881485 /nfs/dbraw/zinc/88/14/85/1368881485.db2.gz VPMZPJCOVUNQAR-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001389350451 1388065873 /nfs/dbraw/zinc/06/58/73/1388065873.db2.gz PLKGIIGJVQQYEN-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702032 1370559583 /nfs/dbraw/zinc/55/95/83/1370559583.db2.gz RXKQNVREQXSSDC-IEBWSBKVSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702070 1370559806 /nfs/dbraw/zinc/55/98/06/1370559806.db2.gz SQDDKSLRTCMVNF-WMZOPIPTSA-N 2 0 327.472 2.007 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC001356545608 1373201989 /nfs/dbraw/zinc/20/19/89/1373201989.db2.gz YJGKINRQLHRUKS-GOSISDBHSA-N 2 0 331.460 2.154 20 30 EEEDRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC001369847243 1374679074 /nfs/dbraw/zinc/67/90/74/1374679074.db2.gz XOXRDSQGBGUXRJ-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001389895366 1388351163 /nfs/dbraw/zinc/35/11/63/1388351163.db2.gz DOHQDCFRQOAVGE-JFIYKMOQSA-N 2 0 346.450 2.020 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376154034 1378334650 /nfs/dbraw/zinc/33/46/50/1378334650.db2.gz GAZBNNIIKINZRG-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001390267115 1388545796 /nfs/dbraw/zinc/54/57/96/1388545796.db2.gz XZDNDSZRFIZNBH-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001376559548 1378595885 /nfs/dbraw/zinc/59/58/85/1378595885.db2.gz RAWWDIDYALRJHJ-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001382129274 1381995253 /nfs/dbraw/zinc/99/52/53/1381995253.db2.gz ABENHMBARWXNDA-ZDUSSCGKSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001752655193 1406329110 /nfs/dbraw/zinc/32/91/10/1406329110.db2.gz MWPPSDQTKSZULL-LEAZDLGRSA-N 2 0 339.483 2.005 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001397049678 1391031037 /nfs/dbraw/zinc/03/10/37/1391031037.db2.gz DGCUGUSJJFQZPD-OKILXGFUSA-N 2 0 346.500 2.088 20 30 EEEDRP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCn3cncc3C2)cc1 ZINC001752985968 1406589848 /nfs/dbraw/zinc/58/98/48/1406589848.db2.gz QMCHRXNWFDUNML-SFHVURJKSA-N 2 0 338.455 2.080 20 30 EEEDRP C=C(Br)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001400914536 1396719615 /nfs/dbraw/zinc/71/96/15/1396719615.db2.gz PZMVWKWVTZFFMP-ZDUSSCGKSA-N 2 0 344.297 2.008 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153830 1396990166 /nfs/dbraw/zinc/99/01/66/1396990166.db2.gz MMHBJCGPFNREDU-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595445 1397466049 /nfs/dbraw/zinc/46/60/49/1397466049.db2.gz FVZUBVVGZBJFHM-PBHICJAKSA-N 2 0 348.516 2.336 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001422572817 1400035158 /nfs/dbraw/zinc/03/51/58/1400035158.db2.gz NYXKCGCDXRAKAE-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1 ZINC001755096562 1407110088 /nfs/dbraw/zinc/11/00/88/1407110088.db2.gz ZWFATQMEUKDNCX-KRWDZBQOSA-N 2 0 349.519 2.082 20 30 EEEDRP C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755188657 1407196129 /nfs/dbraw/zinc/19/61/29/1407196129.db2.gz IHUQMKKDIHODPN-PMACEKPBSA-N 2 0 339.483 2.055 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001426152096 1401914920 /nfs/dbraw/zinc/91/49/20/1401914920.db2.gz ZTQGANDOBKTHDM-ZDUSSCGKSA-N 2 0 348.329 2.357 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755520499 1407578605 /nfs/dbraw/zinc/57/86/05/1407578605.db2.gz JVJZTOKWYAPIHM-IRXDYDNUSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001755706984 1407758977 /nfs/dbraw/zinc/75/89/77/1407758977.db2.gz CNOFMWBBCOUSTL-SLFFLAALSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115107549 1410971944 /nfs/dbraw/zinc/97/19/44/1410971944.db2.gz DOGYRVJCNKWYFW-DOADOZAASA-N 2 0 327.472 2.086 20 30 EEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232727 757536737 /nfs/dbraw/zinc/53/67/37/757536737.db2.gz NYVWZOZRDPFCKC-SFHVURJKSA-N 2 0 325.472 2.261 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448089 760370875 /nfs/dbraw/zinc/37/08/75/760370875.db2.gz NOVQMYCQJCSJIK-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001075453893 760706119 /nfs/dbraw/zinc/70/61/19/760706119.db2.gz FRWVYPGOYNJFPR-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C(=O)NCCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167670628 761019186 /nfs/dbraw/zinc/01/91/86/761019186.db2.gz BHQOTICTONQTMN-UHFFFAOYSA-N 2 0 344.503 2.352 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087314487 761596289 /nfs/dbraw/zinc/59/62/89/761596289.db2.gz LUWUOKXTFSZXQW-BRWVUGGUSA-N 2 0 331.504 2.264 20 30 EEEDRP C=C(Br)C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203415209 765700177 /nfs/dbraw/zinc/70/01/77/765700177.db2.gz UWRKBGWBIRDTIM-UHFFFAOYSA-N 2 0 346.313 2.208 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010186 782763205 /nfs/dbraw/zinc/76/32/05/782763205.db2.gz LWHSDNOXCVVMKI-MSOLQXFVSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666708 769946375 /nfs/dbraw/zinc/94/63/75/769946375.db2.gz JOICVEDFDFYYIP-XUVXKRRUSA-N 2 0 341.499 2.180 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167098 783012563 /nfs/dbraw/zinc/01/25/63/783012563.db2.gz HJZQFZWLBIVMFR-LQWHRVPQSA-N 2 0 341.499 2.430 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131793801 783227460 /nfs/dbraw/zinc/22/74/60/783227460.db2.gz CWDPAEPAROHJDQ-UHFFFAOYSA-N 2 0 346.313 2.113 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089805930 775955967 /nfs/dbraw/zinc/95/59/67/775955967.db2.gz MFJINDDJYJEBFR-MANSERQUSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981341194 777184611 /nfs/dbraw/zinc/18/46/11/777184611.db2.gz RBNGOGSHAVENQB-MOPGFXCFSA-N 2 0 327.472 2.055 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000981456972 777443665 /nfs/dbraw/zinc/44/36/65/777443665.db2.gz HGWVVABEEOKLQE-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767625 778164998 /nfs/dbraw/zinc/16/49/98/778164998.db2.gz UUVJFHFKCDUWJO-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116993 779127777 /nfs/dbraw/zinc/12/77/77/779127777.db2.gz WOYHSDCYSYNHGQ-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282485 779525597 /nfs/dbraw/zinc/52/55/97/779525597.db2.gz ACPIPPPXYNRKOF-KVPLUYHFSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211730367 780114680 /nfs/dbraw/zinc/11/46/80/780114680.db2.gz YUMKXFQKWJKKHH-VQTJNVASSA-N 2 0 339.483 2.080 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001035052068 783659399 /nfs/dbraw/zinc/65/93/99/783659399.db2.gz DQRLPFQQYSYQKC-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675582 784209966 /nfs/dbraw/zinc/20/99/66/784209966.db2.gz ITBZRHJGYDOQKM-IRXDYDNUSA-N 2 0 347.503 2.437 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260361 784215574 /nfs/dbraw/zinc/21/55/74/784215574.db2.gz UUKWQBZIYYFLQF-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742967 784351680 /nfs/dbraw/zinc/35/16/80/784351680.db2.gz BNQPCWZAKDSMHI-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135744328 784353851 /nfs/dbraw/zinc/35/38/51/784353851.db2.gz ZQUNDQCVXSXBIW-KGLIPLIRSA-N 2 0 336.505 2.334 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857551 784639283 /nfs/dbraw/zinc/63/92/83/784639283.db2.gz KDKUSODTAOXZON-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938017 784829616 /nfs/dbraw/zinc/82/96/16/784829616.db2.gz CNMRFUAPOAUWFJ-JKSUJKDBSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794196 785142759 /nfs/dbraw/zinc/14/27/59/785142759.db2.gz ABGSGNDBFDKMIZ-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035776118 785159391 /nfs/dbraw/zinc/15/93/91/785159391.db2.gz BNMALXNDVWUJBI-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001036126108 785828663 /nfs/dbraw/zinc/82/86/63/785828663.db2.gz DPEXVUFOWVCJPB-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC000995968779 785899297 /nfs/dbraw/zinc/89/92/97/785899297.db2.gz QFQJIJXADVRITF-OAHLLOKOSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)CC1 ZINC000996671892 787093338 /nfs/dbraw/zinc/09/33/38/787093338.db2.gz PDAPXCWZIVFFDJ-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996728496 787318345 /nfs/dbraw/zinc/31/83/45/787318345.db2.gz KHSYWFATZQOYNN-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522839 787484701 /nfs/dbraw/zinc/48/47/01/787484701.db2.gz XIHRGTMHADFLPX-NVXWUHKLSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107550875 787579788 /nfs/dbraw/zinc/57/97/88/787579788.db2.gz OJJFEKLYACAKDZ-ZMSDIMECSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552645 787608941 /nfs/dbraw/zinc/60/89/41/787608941.db2.gz POFOQZBZDYQUFU-YLJYHZDGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC000946861264 788880648 /nfs/dbraw/zinc/88/06/48/788880648.db2.gz CSWRMUOJJJDZDZ-IYBDPMFKSA-N 2 0 328.460 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997368243 789752490 /nfs/dbraw/zinc/75/24/90/789752490.db2.gz DPZXQYKAKUOXPV-INIZCTEOSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001171235308 790255622 /nfs/dbraw/zinc/25/56/22/790255622.db2.gz GWPUYTQNJLZJCX-FUHWJXTLSA-N 2 0 337.508 2.080 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997828230 791243337 /nfs/dbraw/zinc/24/33/37/791243337.db2.gz GZZDOGIKUFPWOL-HKUYNNGSSA-N 2 0 333.520 2.491 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591859 791360009 /nfs/dbraw/zinc/36/00/09/791360009.db2.gz HPWSWJBBWDUEPF-CABCVRRESA-N 2 0 348.466 2.410 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942402 793035357 /nfs/dbraw/zinc/03/53/57/793035357.db2.gz PWTXDNVCXUVUSU-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992421991 794045869 /nfs/dbraw/zinc/04/58/69/794045869.db2.gz YVSYVYDTMASJES-ZMSDIMECSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092609640 794141669 /nfs/dbraw/zinc/14/16/69/794141669.db2.gz GRXCXHDUKMHODL-CEXWTWQISA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350017 794343739 /nfs/dbraw/zinc/34/37/39/794343739.db2.gz VUBKQZHWCIKOJD-JKSUJKDBSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000999490599 794593276 /nfs/dbraw/zinc/59/32/76/794593276.db2.gz RFKXPUSAUSSMDA-CZUORRHYSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700950 795119477 /nfs/dbraw/zinc/11/94/77/795119477.db2.gz QOLSGVFFTQWOMB-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CCO2 ZINC001093395433 795167477 /nfs/dbraw/zinc/16/74/77/795167477.db2.gz CXWCRVIGOKMLDS-FDYSRKEFSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC001093399982 795178708 /nfs/dbraw/zinc/17/87/08/795178708.db2.gz YAKOSIAOPILVLC-FDYSRKEFSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001000208586 795533219 /nfs/dbraw/zinc/53/32/19/795533219.db2.gz MKPZMQQXDFNARY-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106472211 795663480 /nfs/dbraw/zinc/66/34/80/795663480.db2.gz SNDKTDZTTOIAER-XYPHTWIQSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547855 806513315 /nfs/dbraw/zinc/51/33/15/806513315.db2.gz UDRGCRMRISBLIP-BJLQDIEVSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993631214 796885753 /nfs/dbraw/zinc/88/57/53/796885753.db2.gz MFBIDFAOVSUASQ-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCCC2)C[C@H]1C#N ZINC001172967093 797173579 /nfs/dbraw/zinc/17/35/79/797173579.db2.gz GCLFGEKPWFBKGS-HOTGVXAUSA-N 2 0 336.480 2.354 20 30 EEEDRP CN1CCC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991006 797200998 /nfs/dbraw/zinc/20/09/98/797200998.db2.gz TYVSBBZQFGPMLL-QZWWFDLISA-N 2 0 348.491 2.304 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083105287 797872295 /nfs/dbraw/zinc/87/22/95/797872295.db2.gz SMTJPOJHOHTPAA-CEXWTWQISA-N 2 0 349.519 2.127 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048717 798447814 /nfs/dbraw/zinc/44/78/14/798447814.db2.gz BWBLKNCBTWCDAG-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958121 798577885 /nfs/dbraw/zinc/57/78/85/798577885.db2.gz MIDNMGQUFRFGLP-HOJAQTOUSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182807327 801357010 /nfs/dbraw/zinc/35/70/10/801357010.db2.gz QRTCRPXDOZDADY-WSTZPKSXSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001183184606 801501679 /nfs/dbraw/zinc/50/16/79/801501679.db2.gz HRVSFNVWHYMKRE-DNVCBOLYSA-N 2 0 330.476 2.412 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)s1 ZINC001151362483 801770798 /nfs/dbraw/zinc/77/07/98/801770798.db2.gz XANZRHQGMUZNQU-UHFFFAOYSA-N 2 0 334.489 2.092 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086132268 802246600 /nfs/dbraw/zinc/24/66/00/802246600.db2.gz JZZCURBNTUTOMF-OKILXGFUSA-N 2 0 332.835 2.493 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789031 804498366 /nfs/dbraw/zinc/49/83/66/804498366.db2.gz BLWFQLLTHLQSRN-UHOSZYNNSA-N 2 0 331.504 2.099 20 30 EEEDRP C[NH+]1CCC(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000788470580 807540176 /nfs/dbraw/zinc/54/01/76/807540176.db2.gz KIKHFGRGGCJEKK-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049236 807953829 /nfs/dbraw/zinc/95/38/29/807953829.db2.gz IIYSTSYPLLABPY-QGZVFWFLSA-N 2 0 330.476 2.407 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130411967 811599530 /nfs/dbraw/zinc/59/95/30/811599530.db2.gz GIAUQVAMNGZEOV-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130614780 811844067 /nfs/dbraw/zinc/84/40/67/811844067.db2.gz DOTQRFMCJYORKY-UHFFFAOYSA-N 2 0 346.313 2.254 20 30 EEEDRP O=C(NCC[NH2+]CC#Cc1ccccc1Cl)C12CCC[NH+]1CCC2 ZINC001130805972 812046961 /nfs/dbraw/zinc/04/69/61/812046961.db2.gz WLWLFDFXJYVVPY-UHFFFAOYSA-N 2 0 345.874 2.026 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001438464944 1090972119 /nfs/dbraw/zinc/97/21/19/1090972119.db2.gz RHEGCLUOBQDMDO-UHFFFAOYSA-N 2 0 327.900 2.395 20 30 EEEDRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001441659190 1095626461 /nfs/dbraw/zinc/62/64/61/1095626461.db2.gz RMEMAKWZHBRCPD-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]Cc1ccccc1C#N ZINC001495771087 1101568659 /nfs/dbraw/zinc/56/86/59/1101568659.db2.gz NIIJIZBZOBFMOH-QGZVFWFLSA-N 2 0 342.487 2.132 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001448108919 1104025719 /nfs/dbraw/zinc/02/57/19/1104025719.db2.gz ZTCBUHUFTSERJY-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001494911794 1104545920 /nfs/dbraw/zinc/54/59/20/1104545920.db2.gz XKERLRBBVXPJDI-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc(C#N)n1 ZINC000341840570 161017755 /nfs/dbraw/zinc/01/77/55/161017755.db2.gz DABGUDNLILYPIU-UHFFFAOYSA-N 2 0 336.443 2.281 20 30 EEEDRP CCC[N@H+](CCOc1ccc(C#N)cc1)CCN1CC[NH+](CC)CC1 ZINC000344116934 161199823 /nfs/dbraw/zinc/19/98/23/161199823.db2.gz BCTLWDPBBHBMQA-UHFFFAOYSA-N 2 0 344.503 2.287 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671589 782047172 /nfs/dbraw/zinc/04/71/72/782047172.db2.gz GBMNNGOLFOMTJB-VQTJNVASSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)C(C)C ZINC000355469317 465250749 /nfs/dbraw/zinc/25/07/49/465250749.db2.gz FIGHVESLYOIYHS-ROUUACIJSA-N 2 0 336.524 2.421 20 30 EEEDRP C[NH+]=C(NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)NC1CC1 ZINC000103337857 463400311 /nfs/dbraw/zinc/40/03/11/463400311.db2.gz QJOCHVKOUVMVJC-HUUCEWRRSA-N 2 0 330.476 2.123 20 30 EEEDRP C[NH+]=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC000262757322 464043817 /nfs/dbraw/zinc/04/38/17/464043817.db2.gz HTBDMJJGIMKOPF-AWEZNQCLSA-N 2 0 328.382 2.417 20 30 EEEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000264107404 464283543 /nfs/dbraw/zinc/28/35/43/464283543.db2.gz OCBUAVIXBYTZET-IBGZPJMESA-N 3 0 345.535 2.417 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000264316291 464294556 /nfs/dbraw/zinc/29/45/56/464294556.db2.gz WDMRQRWFQWGZAH-IAGOWNOFSA-N 2 0 347.507 2.114 20 30 EEEDRP Cc1ncc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C ZINC000596993937 468410207 /nfs/dbraw/zinc/41/02/07/468410207.db2.gz YYNFRFASSPOZDY-UHFFFAOYSA-N 2 0 346.438 2.471 20 30 EEEDRP Cc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C ZINC000596993920 468410804 /nfs/dbraw/zinc/41/08/04/468410804.db2.gz YGTFRQDCUOHOSB-UHFFFAOYSA-N 2 0 337.427 2.451 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(CNC(=[NH2+])N[C@@H](C)CC)cc1 ZINC000274252312 464739107 /nfs/dbraw/zinc/73/91/07/464739107.db2.gz YSIZGCLMKODSNM-OKILXGFUSA-N 2 0 332.496 2.092 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000593918733 468433929 /nfs/dbraw/zinc/43/39/29/468433929.db2.gz HABONALDSJGHTK-HXUWFJFHSA-N 2 0 348.450 2.339 20 30 EEEDRP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330218577 465573471 /nfs/dbraw/zinc/57/34/71/465573471.db2.gz JMEFVAJRUGRGSK-FHWLQOOXSA-N 2 0 343.471 2.205 20 30 EEEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 ZINC000372065779 466142816 /nfs/dbraw/zinc/14/28/16/466142816.db2.gz IDALEQURXOJZFP-MAUKXSAKSA-N 2 0 327.476 2.242 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424152070 466992271 /nfs/dbraw/zinc/99/22/71/466992271.db2.gz IBKZRIQVUNICJG-NJAFHUGGSA-N 2 0 328.460 2.177 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592066065 468609964 /nfs/dbraw/zinc/60/99/64/468609964.db2.gz GUUMLWJOBNMQDM-QZTJIDSGSA-N 2 0 328.460 2.036 20 30 EEEDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600715067 468630219 /nfs/dbraw/zinc/63/02/19/468630219.db2.gz DRTBATDIBMTFRL-LJQANCHMSA-N 2 0 345.487 2.400 20 30 EEEDRP CN(Cc1ccc(C#N)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000562383727 468947604 /nfs/dbraw/zinc/94/76/04/468947604.db2.gz WPIRJBZKUVEYMY-UHFFFAOYSA-N 2 0 335.455 2.487 20 30 EEEDRP N#Cc1ncn(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602654516 468990661 /nfs/dbraw/zinc/99/06/61/468990661.db2.gz MTPLTISVMMMBDV-SJLPKXTDSA-N 2 0 336.443 2.107 20 30 EEEDRP N#CCNC(=O)C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602863278 469127480 /nfs/dbraw/zinc/12/74/80/469127480.db2.gz MIUHERRLEOWMLM-UHFFFAOYSA-N 2 0 340.471 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000995225074 782132475 /nfs/dbraw/zinc/13/24/75/782132475.db2.gz BXVPIBRRJPDSGS-ICSRJNTNSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160198290 527114225 /nfs/dbraw/zinc/11/42/25/527114225.db2.gz JACGALHZVAWLAW-QGZVFWFLSA-N 2 0 329.488 2.375 20 30 EEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(OCC[NH+](C)C)cc1 ZINC000753938587 577796902 /nfs/dbraw/zinc/79/69/02/577796902.db2.gz KGCUJKVNYYSVJU-HDICACEKSA-N 2 0 343.475 2.211 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC000970789199 676152772 /nfs/dbraw/zinc/15/27/72/676152772.db2.gz UMZFSQFMEAYBPO-YLJYHZDGSA-N 2 0 339.483 2.283 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021091451 675716864 /nfs/dbraw/zinc/71/68/64/675716864.db2.gz VYXRDONZPWBCJG-OHDICMOHSA-N 2 0 340.471 2.168 20 30 EEEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970327017 675790462 /nfs/dbraw/zinc/79/04/62/675790462.db2.gz YNYBSMHKGUCXRM-QFBILLFUSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428558 675875331 /nfs/dbraw/zinc/87/53/31/675875331.db2.gz PEUBCUPZFMBSQF-MRXNPFEDSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706550 676366744 /nfs/dbraw/zinc/36/67/44/676366744.db2.gz LSUMNIGWGIDXEV-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCC)CC[C@@H]32)CC1 ZINC001021740392 676399513 /nfs/dbraw/zinc/39/95/13/676399513.db2.gz SMXFXQIQZGXODX-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329759 678552211 /nfs/dbraw/zinc/55/22/11/678552211.db2.gz BBBPVYQZYONQLW-LPHOPBHVSA-N 2 0 340.471 2.075 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332226 678556033 /nfs/dbraw/zinc/55/60/33/678556033.db2.gz OPPOQZCCGVDGER-GJZGRUSLSA-N 2 0 346.500 2.137 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C(C)C)CC1 ZINC000162203822 679450878 /nfs/dbraw/zinc/45/08/78/679450878.db2.gz QNPDSNOWVSJRBL-KSZLIROESA-N 2 0 348.535 2.372 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024477119 679949686 /nfs/dbraw/zinc/94/96/86/679949686.db2.gz JCNSGKVBPMHFPI-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001026901524 685273076 /nfs/dbraw/zinc/27/30/76/685273076.db2.gz RGORFOGGPFRZDC-OALUTQOASA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@]2(C)C1 ZINC000982726283 682111848 /nfs/dbraw/zinc/11/18/48/682111848.db2.gz UDVNUZULNRSVAQ-NRSPTQNISA-N 2 0 345.531 2.445 20 30 EEEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000261976910 682709051 /nfs/dbraw/zinc/70/90/51/682709051.db2.gz GIIPAACLLLFNCR-ZDUSSCGKSA-N 2 0 330.432 2.059 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557147 682994910 /nfs/dbraw/zinc/99/49/10/682994910.db2.gz FCLYREGYCCKEPT-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239297 683565121 /nfs/dbraw/zinc/56/51/21/683565121.db2.gz WACRICNLQUENNY-IIAWOOMASA-N 2 0 325.884 2.383 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000983902609 683746255 /nfs/dbraw/zinc/74/62/55/683746255.db2.gz VPBHBVUAVNQIGW-IHPCNDPISA-N 2 0 339.483 2.077 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1)[NH+](C)C ZINC001029478606 685039827 /nfs/dbraw/zinc/03/98/27/685039827.db2.gz UTIBOAMGMZSZKT-ZCNNSNEGSA-N 2 0 339.483 2.054 20 30 EEEDRP CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262425671 685995001 /nfs/dbraw/zinc/99/50/01/685995001.db2.gz ROKJJDBDANDNFQ-APWZRJJASA-N 2 0 336.524 2.372 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013855 694186521 /nfs/dbraw/zinc/18/65/21/694186521.db2.gz AIUAHTCBOHQBSD-NLWGTHIKSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989169686 691491353 /nfs/dbraw/zinc/49/13/53/691491353.db2.gz KQSBHLKDMRIASS-KGLIPLIRSA-N 2 0 345.834 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C[C@@H]2C)CC1 ZINC000989828560 692371318 /nfs/dbraw/zinc/37/13/18/692371318.db2.gz FRHIIRHTCSTBFB-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C[C@@H]2C)CC1 ZINC000989829052 692371908 /nfs/dbraw/zinc/37/19/08/692371908.db2.gz NMRNOLLGXNITKX-PXNSSMCTSA-N 2 0 339.483 2.111 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880052 1192633526 /nfs/dbraw/zinc/63/35/26/1192633526.db2.gz GYODVUIZWFHNNV-YRPNKDGESA-N 2 0 345.531 2.463 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088632133 1188019915 /nfs/dbraw/zinc/01/99/15/1188019915.db2.gz ZYXACICHCMTUOS-NEWSRXKRSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518509 1188135733 /nfs/dbraw/zinc/13/57/33/1188135733.db2.gz ZWEWMLNVBHCQMV-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Br)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431499 1188249745 /nfs/dbraw/zinc/24/97/45/1188249745.db2.gz KNIVAUQPFHGGHK-UHFFFAOYSA-N 2 0 346.313 2.208 20 30 EEEDRP C#CCN1CC2(CCC1=O)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273101395 1194385349 /nfs/dbraw/zinc/38/53/49/1194385349.db2.gz TXUZUNPGPRFOBW-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001033683947 1195064015 /nfs/dbraw/zinc/06/40/15/1195064015.db2.gz JYKHDSMTJNVUEK-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329912 1196099616 /nfs/dbraw/zinc/09/96/16/1196099616.db2.gz JROKVQFTENNEAH-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000872222894 1198095788 /nfs/dbraw/zinc/09/57/88/1198095788.db2.gz IAZSGVNWFJWYCH-IBGZPJMESA-N 2 0 345.487 2.398 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001133893705 1199149828 /nfs/dbraw/zinc/14/98/28/1199149828.db2.gz NIWFACZWCBHXSD-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001134607085 1199698779 /nfs/dbraw/zinc/69/87/79/1199698779.db2.gz DBRNGRRTVYDPGB-MSOLQXFVSA-N 2 0 341.499 2.395 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001134607828 1199700619 /nfs/dbraw/zinc/70/06/19/1199700619.db2.gz MFNDXNWYCPUIOI-KGLIPLIRSA-N 2 0 348.516 2.477 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941871 1200217616 /nfs/dbraw/zinc/21/76/16/1200217616.db2.gz RNFOEFNRMMKJIL-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133249679 1200640844 /nfs/dbraw/zinc/64/08/44/1200640844.db2.gz IVHLMUUXCRVGLW-JKSUJKDBSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)[NH+](C)C ZINC001133405934 1200870052 /nfs/dbraw/zinc/87/00/52/1200870052.db2.gz XUCCNSDQZDHNDO-KRWDZBQOSA-N 2 0 335.879 2.232 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001133410565 1200879031 /nfs/dbraw/zinc/87/90/31/1200879031.db2.gz NMLZDMAZWDCBIX-QGZVFWFLSA-N 2 0 347.890 2.233 20 30 EEEDRP C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001274267790 1204981213 /nfs/dbraw/zinc/98/12/13/1204981213.db2.gz FTBMOSVAYABWJB-UHFFFAOYSA-N 2 0 336.439 2.401 20 30 EEEDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001274920256 1205209887 /nfs/dbraw/zinc/20/98/87/1205209887.db2.gz GJRMZBNJSHXTEF-NRFANRHFSA-N 2 0 340.515 2.450 20 30 EEEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C[C@H]4CCOC4)(C2)CCC3)cc1C#N ZINC001275172886 1205273864 /nfs/dbraw/zinc/27/38/64/1205273864.db2.gz XSGSULDYBGQPRQ-AHRSYUTCSA-N 2 0 342.487 2.458 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)CN2CCc3sccc3C2)CC1 ZINC001006433802 1209266007 /nfs/dbraw/zinc/26/60/07/1209266007.db2.gz GCMJSLLVTZNJIW-UHFFFAOYSA-N 2 0 345.512 2.052 20 30 EEEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000303878133 1213917364 /nfs/dbraw/zinc/91/73/64/1213917364.db2.gz FTZBSBLPSDLXSK-UHFFFAOYSA-N 2 0 332.492 2.154 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[NH+]2CCCC2)s1 ZINC001037126587 1213945148 /nfs/dbraw/zinc/94/51/48/1213945148.db2.gz QXEUIMLLDIEYHN-RHSMWYFYSA-N 2 0 346.500 2.090 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621052 1215264390 /nfs/dbraw/zinc/26/43/90/1215264390.db2.gz VJUVIGSDYMWOMJ-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CC=C)C3)C2)CC1 ZINC000961292508 1217132046 /nfs/dbraw/zinc/13/20/46/1217132046.db2.gz JPPTZJGLMGNSDA-UXHICEINSA-N 2 0 343.515 2.078 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961343830 1217150865 /nfs/dbraw/zinc/15/08/65/1217150865.db2.gz SXBRCYCHXJGRCO-BWTSREIZSA-N 2 0 327.472 2.027 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443815 1217192082 /nfs/dbraw/zinc/19/20/82/1217192082.db2.gz WPBOMLUDUHQQSY-LJQANCHMSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928162 1221679362 /nfs/dbraw/zinc/67/93/62/1221679362.db2.gz DHSNPAWMERQJJH-RBUKOAKNSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000968997976 1221728876 /nfs/dbraw/zinc/72/88/76/1221728876.db2.gz HQTSLZYAJGHGCK-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073276 1221784431 /nfs/dbraw/zinc/78/44/31/1221784431.db2.gz YTHAARKRLSSONG-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007906229 1222495331 /nfs/dbraw/zinc/49/53/31/1222495331.db2.gz GRAAKIYEZKYJGZ-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001016338050 1226361426 /nfs/dbraw/zinc/36/14/26/1226361426.db2.gz VSKJTXFEGGLBHI-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754552 1226843087 /nfs/dbraw/zinc/84/30/87/1226843087.db2.gz OLRKOYGRSQURCD-MSOLQXFVSA-N 2 0 331.504 2.408 20 30 EEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017943716 1227901189 /nfs/dbraw/zinc/90/11/89/1227901189.db2.gz GMJPNTVRZQQMCV-FCEWJHQRSA-N 2 0 337.483 2.450 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018938285 1228551637 /nfs/dbraw/zinc/55/16/37/1228551637.db2.gz HICFFVCCYWNTAV-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054738390 1248967771 /nfs/dbraw/zinc/96/77/71/1248967771.db2.gz PLSGIQPBQPRTHZ-GUYCJALGSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C)C2)CC1 ZINC001019814243 1229361057 /nfs/dbraw/zinc/36/10/57/1229361057.db2.gz VVISAYLLNNDREJ-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001020250994 1229583371 /nfs/dbraw/zinc/58/33/71/1229583371.db2.gz ZHNOLTBWWZXSFS-BZSNNMDCSA-N 2 0 345.874 2.174 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208092 1231104085 /nfs/dbraw/zinc/10/40/85/1231104085.db2.gz IYTUGBGWGAUTIL-ICSRJNTNSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001040913803 1231403070 /nfs/dbraw/zinc/40/30/70/1231403070.db2.gz GYNOMOGOZHLOLJ-UHFFFAOYSA-N 2 0 328.460 2.262 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CCC=C)CC3)CC1 ZINC001040948723 1231408170 /nfs/dbraw/zinc/40/81/70/1231408170.db2.gz XOMMJNVQSNETHT-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041288481 1231495778 /nfs/dbraw/zinc/49/57/78/1231495778.db2.gz XGABIMVQOCZTRM-NQIIRXRSSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742794 1231670939 /nfs/dbraw/zinc/67/09/39/1231670939.db2.gz DZSVJLLRNPHIRN-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044768076 1233250512 /nfs/dbraw/zinc/25/05/12/1233250512.db2.gz TYHIFAGWPXGCEG-GDBMZVCRSA-N 2 0 327.900 2.440 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001045205497 1233579230 /nfs/dbraw/zinc/57/92/30/1233579230.db2.gz MLARBIKMCZVTEY-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045273570 1233629877 /nfs/dbraw/zinc/62/98/77/1233629877.db2.gz OONCTEGHFDOBPY-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001054929074 1249400380 /nfs/dbraw/zinc/40/03/80/1249400380.db2.gz DLRMCVCRVMCULE-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001046946512 1235340578 /nfs/dbraw/zinc/34/05/78/1235340578.db2.gz WGYWAJLSDKRXPF-LSDHHAIUSA-N 2 0 329.435 2.120 20 30 EEEDRP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046988454 1235397200 /nfs/dbraw/zinc/39/72/00/1235397200.db2.gz ODEPKIDUZHYNQX-MRXNPFEDSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257822 1235762477 /nfs/dbraw/zinc/76/24/77/1235762477.db2.gz UWPPXXYRUWCAKG-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572406 1237993300 /nfs/dbraw/zinc/99/33/00/1237993300.db2.gz HTBMZYBUPWEWSS-RDGPPVDQSA-N 2 0 331.504 2.242 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000149409 1239999273 /nfs/dbraw/zinc/99/92/73/1239999273.db2.gz LNRMTANEGABXIP-SFHVURJKSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171013 1240174382 /nfs/dbraw/zinc/17/43/82/1240174382.db2.gz IAZYXUAUEUCEEE-WCXIOVBPSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563633 1241432301 /nfs/dbraw/zinc/43/23/01/1241432301.db2.gz GGNYUXOAKDLDAG-MSOLQXFVSA-N 2 0 331.504 2.338 20 30 EEEDRP N#CC1(CCCC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742018 1241798492 /nfs/dbraw/zinc/79/84/92/1241798492.db2.gz ULQMEVBPDOFNRH-ROUUACIJSA-N 2 0 346.519 2.431 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842512 1242384826 /nfs/dbraw/zinc/38/48/26/1242384826.db2.gz LSXQQYMDPXYLDM-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845356 1242400174 /nfs/dbraw/zinc/40/01/74/1242400174.db2.gz XXGQICYYJVKYPI-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001073627260 1242589859 /nfs/dbraw/zinc/58/98/59/1242589859.db2.gz KWMXMPMFOXKPOB-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919830 1242711194 /nfs/dbraw/zinc/71/11/94/1242711194.db2.gz PSHWVHKOABACKN-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001050542206 1243813251 /nfs/dbraw/zinc/81/32/51/1243813251.db2.gz ABPLAWRYZHDPOD-UHFFFAOYSA-N 2 0 325.884 2.148 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=C)Cl)CC2)CC1 ZINC001052957835 1245555590 /nfs/dbraw/zinc/55/55/90/1245555590.db2.gz JJZLCVOPRVYIRG-KRWDZBQOSA-N 2 0 337.895 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095201 1245890427 /nfs/dbraw/zinc/89/04/27/1245890427.db2.gz IHDCOURIWPIHRN-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245199 1247860063 /nfs/dbraw/zinc/86/00/63/1247860063.db2.gz PSOCHMXPMYGUNE-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281493 1247998385 /nfs/dbraw/zinc/99/83/85/1247998385.db2.gz MYSOFZDZMQOICH-KXBFYZLASA-N 2 0 327.472 2.392 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCC1 ZINC001099552526 1258200427 /nfs/dbraw/zinc/20/04/27/1258200427.db2.gz OKSMYVWWFHUMAR-MANSERQUSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597506 1258246392 /nfs/dbraw/zinc/24/63/92/1258246392.db2.gz XETJRXNWYOUBIS-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001185706291 1278745440 /nfs/dbraw/zinc/74/54/40/1278745440.db2.gz LGZDRUXURLJHNH-LJQANCHMSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@@H](C)C2)CC1 ZINC001185730775 1278766988 /nfs/dbraw/zinc/76/69/88/1278766988.db2.gz NVOMNNUDIKIGLQ-FXAWDEMLSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018295 1279348304 /nfs/dbraw/zinc/34/83/04/1279348304.db2.gz LJUBJHKCDBVODA-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193292628 1282428279 /nfs/dbraw/zinc/42/82/79/1282428279.db2.gz QIKHROXOJPPMLR-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622693 1282606883 /nfs/dbraw/zinc/60/68/83/1282606883.db2.gz RFDPWSPTMJESES-IBGZPJMESA-N 2 0 345.462 2.052 20 30 EEEDRP C#Cc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000289316296 1296843468 /nfs/dbraw/zinc/84/34/68/1296843468.db2.gz SOHCCGMSQSSWAN-UHFFFAOYSA-N 2 0 335.451 2.249 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202059 1298702037 /nfs/dbraw/zinc/70/20/37/1298702037.db2.gz RHJHEFPMAHTTOF-LSBZLQRGSA-N 2 0 331.435 2.276 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001099503513 1299173486 /nfs/dbraw/zinc/17/34/86/1299173486.db2.gz CQIVFXAVPFYKRD-RDGPPVDQSA-N 2 0 343.515 2.053 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790294 1299861885 /nfs/dbraw/zinc/86/18/85/1299861885.db2.gz WLFLYPVKQWRRRH-ZACQAIPSSA-N 2 0 325.472 2.165 20 30 EEEDRP C=CCCCC[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001276888112 1300118428 /nfs/dbraw/zinc/11/84/28/1300118428.db2.gz UANALAUHPCPINB-NEWSRXKRSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013422 1300140365 /nfs/dbraw/zinc/14/03/65/1300140365.db2.gz XKQAUOVVFQNQOI-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001224254507 1300512437 /nfs/dbraw/zinc/51/24/37/1300512437.db2.gz VJTOSRSSECNFFB-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001226541625 1301452770 /nfs/dbraw/zinc/45/27/70/1301452770.db2.gz BMRKEBBEKOXEGE-HZPDHXFCSA-N 2 0 333.501 2.464 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001228032822 1302065148 /nfs/dbraw/zinc/06/51/48/1302065148.db2.gz MCPIAAIUDJEAMS-CVEARBPZSA-N 2 0 330.476 2.381 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103086650 1302193727 /nfs/dbraw/zinc/19/37/27/1302193727.db2.gz LTADMTQCJFUVOQ-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359296 1302809045 /nfs/dbraw/zinc/80/90/45/1302809045.db2.gz SVTBSTLZWBIEGM-GUDVDZBRSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001229641570 1302903685 /nfs/dbraw/zinc/90/36/85/1302903685.db2.gz OJVUMTBVZNBFAN-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846336 1303497178 /nfs/dbraw/zinc/49/71/78/1303497178.db2.gz GCNJIFYADJHAJB-HKUYNNGSSA-N 2 0 344.503 2.164 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846362 1303497635 /nfs/dbraw/zinc/49/76/35/1303497635.db2.gz HDOUMRMMKLURLY-SFHVURJKSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601449 1305484137 /nfs/dbraw/zinc/48/41/37/1305484137.db2.gz BASIYKNILXBWRP-UHFFFAOYSA-N 2 0 339.524 2.328 20 30 EEEDRP CCC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001278192352 1306238291 /nfs/dbraw/zinc/23/82/91/1306238291.db2.gz BOUPZICNWQIUKB-UHFFFAOYSA-N 2 0 332.492 2.135 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421950 1309523205 /nfs/dbraw/zinc/52/32/05/1309523205.db2.gz GVNAFBMZANJDRV-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423415 1309526555 /nfs/dbraw/zinc/52/65/55/1309526555.db2.gz UHGVFZPLOCBKAB-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[NH2+]C1 ZINC001246104600 1310236823 /nfs/dbraw/zinc/23/68/23/1310236823.db2.gz KMYBETROUXIZIS-HNAYVOBHSA-N 2 0 340.471 2.141 20 30 EEEDRP C[NH+](C)CCOc1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001138768726 1314663436 /nfs/dbraw/zinc/66/34/36/1314663436.db2.gz CWUVPAKQLVMXOS-KRWDZBQOSA-N 2 0 332.469 2.401 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c(F)c1 ZINC001153314885 1316809750 /nfs/dbraw/zinc/80/97/50/1316809750.db2.gz RIZOCTAWBXFAEF-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001252550858 1317632700 /nfs/dbraw/zinc/63/27/00/1317632700.db2.gz PBOANYDBTHCCLP-IBGZPJMESA-N 2 0 330.472 2.290 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001157886271 1318917017 /nfs/dbraw/zinc/91/70/17/1318917017.db2.gz DNGHEKKDRMWEHY-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131279 1320079035 /nfs/dbraw/zinc/07/90/35/1320079035.db2.gz JVZIXZBQXIIZKG-UHFFFAOYSA-N 2 0 331.504 2.413 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160474014 1320171864 /nfs/dbraw/zinc/17/18/64/1320171864.db2.gz WPEWJITXDLDMER-OALUTQOASA-N 2 0 329.488 2.165 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160579975 1320204303 /nfs/dbraw/zinc/20/43/03/1320204303.db2.gz BMTORNBKAFSITL-UHFFFAOYSA-N 2 0 336.439 2.418 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906980 1320986015 /nfs/dbraw/zinc/98/60/15/1320986015.db2.gz WUVNWJHTDQMARV-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500713 1321398286 /nfs/dbraw/zinc/39/82/86/1321398286.db2.gz BZGGIQYAQUPFAA-GOSISDBHSA-N 2 0 337.508 2.082 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001166424551 1321716991 /nfs/dbraw/zinc/71/69/91/1321716991.db2.gz JXCZDDHOKVFKQO-LJQANCHMSA-N 2 0 329.488 2.254 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001166424390 1321717243 /nfs/dbraw/zinc/71/72/43/1321717243.db2.gz GAUVJIJFKCNUSG-IBGZPJMESA-N 2 0 347.478 2.394 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203360600 1321869055 /nfs/dbraw/zinc/86/90/55/1321869055.db2.gz XVAMMIZTKHDHOZ-OALUTQOASA-N 2 0 339.483 2.007 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203586729 1321916768 /nfs/dbraw/zinc/91/67/68/1321916768.db2.gz ASPICDUXGVADQP-OALUTQOASA-N 2 0 343.515 2.149 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205691956 1323248639 /nfs/dbraw/zinc/24/86/39/1323248639.db2.gz KEGBCQXYDIANFY-FUHWJXTLSA-N 2 0 333.451 2.236 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206856869 1323634258 /nfs/dbraw/zinc/63/42/58/1323634258.db2.gz DMLQRXRPYDMJRV-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206890299 1323673654 /nfs/dbraw/zinc/67/36/54/1323673654.db2.gz KOGXXLZKPUTRKT-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001207757658 1324130685 /nfs/dbraw/zinc/13/06/85/1324130685.db2.gz IYGUEYOLHUUMLJ-IEBWSBKVSA-N 2 0 341.499 2.205 20 30 EEEDRP C#Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cncn4C)C3=O)C2)cc1 ZINC001276558994 1324336895 /nfs/dbraw/zinc/33/68/95/1324336895.db2.gz ZJINKTCSNAPWPM-NRFANRHFSA-N 2 0 348.450 2.026 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424471 1324490832 /nfs/dbraw/zinc/49/08/32/1324490832.db2.gz ZHFDENIMOJWXNC-VQTJNVASSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001340733618 1337237583 /nfs/dbraw/zinc/23/75/83/1337237583.db2.gz DQFXZVMGNWYHOG-GOSISDBHSA-N 2 0 330.476 2.093 20 30 EEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202860 1371156943 /nfs/dbraw/zinc/15/69/43/1371156943.db2.gz SLTRKYFNXZDMCZ-BHIYHBOVSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577670 1373055323 /nfs/dbraw/zinc/05/53/23/1373055323.db2.gz CXQWIAHCJWJPGZ-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001389729490 1388272644 /nfs/dbraw/zinc/27/26/44/1388272644.db2.gz OQIBHIUELITIGY-HNNXBMFYSA-N 2 0 327.900 2.394 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC001367317141 1374149161 /nfs/dbraw/zinc/14/91/61/1374149161.db2.gz SJGGUWKMYUBVSG-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001369217187 1374507065 /nfs/dbraw/zinc/50/70/65/1374507065.db2.gz RWPDXGSPUZESTH-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001369217188 1374507528 /nfs/dbraw/zinc/50/75/28/1374507528.db2.gz RWPDXGSPUZESTH-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001378893659 1380243182 /nfs/dbraw/zinc/24/31/82/1380243182.db2.gz COANXJOPRSNMJD-WMLDXEAASA-N 2 0 348.516 2.288 20 30 EEEDRP N#Cc1cccc(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC001392965383 1390263847 /nfs/dbraw/zinc/26/38/47/1390263847.db2.gz PDHASPAYSGJVCU-UHFFFAOYSA-N 2 0 340.471 2.173 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001393542609 1390464683 /nfs/dbraw/zinc/46/46/83/1390464683.db2.gz DRVSVZRQKFKUNM-UHFFFAOYSA-N 2 0 344.297 2.008 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001394717060 1390744387 /nfs/dbraw/zinc/74/43/87/1390744387.db2.gz RXFLSVDTQGZULO-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141714 1396976120 /nfs/dbraw/zinc/97/61/20/1396976120.db2.gz VFRGNVOPRLGDIJ-KSSFIOAISA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001401285952 1397119838 /nfs/dbraw/zinc/11/98/38/1397119838.db2.gz AVDDZKXTCCECTH-TZMCWYRMSA-N 2 0 346.313 2.063 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001401980580 1397705690 /nfs/dbraw/zinc/70/56/90/1397705690.db2.gz QVFISILMXQVFIS-UHFFFAOYSA-N 2 0 325.884 2.099 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC001754451062 1406907209 /nfs/dbraw/zinc/90/72/09/1406907209.db2.gz ZYPYECKVGHZUFD-SFHVURJKSA-N 2 0 347.890 2.128 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001402683201 1398149961 /nfs/dbraw/zinc/14/99/61/1398149961.db2.gz DDNJPBDTFFSINJ-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001755114978 1407124612 /nfs/dbraw/zinc/12/46/12/1407124612.db2.gz XUSLFTJOWBCUFD-YJBOKZPZSA-N 2 0 347.890 2.080 20 30 EEEDRP C#CCN1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001755171078 1407182459 /nfs/dbraw/zinc/18/24/59/1407182459.db2.gz JFWGUVRCSMDZTL-IBGZPJMESA-N 2 0 327.472 2.067 20 30 EEEDRP N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3OC3(CC[NH2+]CC3)C2)CC1 ZINC001580037878 1403812800 /nfs/dbraw/zinc/81/28/00/1403812800.db2.gz ATRYKENKMOFQBE-KRWDZBQOSA-N 2 0 341.455 2.058 20 30 EEEDRP C[C@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560096 1410397684 /nfs/dbraw/zinc/39/76/84/1410397684.db2.gz JBWNIZWPZKKFTA-IEBWSBKVSA-N 2 0 328.460 2.036 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821201 1410852633 /nfs/dbraw/zinc/85/26/33/1410852633.db2.gz PGEIVUNRKGLZOL-PXNSSMCTSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506778 759897652 /nfs/dbraw/zinc/89/76/52/759897652.db2.gz FKPUGJOZFCZWBS-PXNSSMCTSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610660 760728663 /nfs/dbraw/zinc/72/86/63/760728663.db2.gz VHDWLPHISJBIFS-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c(n3)CCCC4)C[C@@H]2C1 ZINC001087972834 782671913 /nfs/dbraw/zinc/67/19/13/782671913.db2.gz ADIFIMIABIWCEX-SJORKVTESA-N 2 0 342.487 2.118 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070936 768841420 /nfs/dbraw/zinc/84/14/20/768841420.db2.gz LGAGNFRJWOKTRP-MCIONIFRSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166567 783011827 /nfs/dbraw/zinc/01/18/27/783011827.db2.gz HYCHHNUVRFTARA-AABGKKOBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H](C)C1 ZINC000942717961 783048417 /nfs/dbraw/zinc/04/84/17/783048417.db2.gz AYQDPDYYOIAUED-NVXWUHKLSA-N 2 0 346.475 2.287 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718884 783049582 /nfs/dbraw/zinc/04/95/82/783049582.db2.gz DKAGGCNSWCFAOD-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212576 783065622 /nfs/dbraw/zinc/06/56/22/783065622.db2.gz AJDVCSMMESPDGK-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131704716 783083584 /nfs/dbraw/zinc/08/35/84/783083584.db2.gz ZHSIHJGFCOTPIA-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138970 773928559 /nfs/dbraw/zinc/92/85/59/773928559.db2.gz IEOLWAZQURGSTR-BZSNNMDCSA-N 2 0 336.439 2.188 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981193288 776763854 /nfs/dbraw/zinc/76/38/54/776763854.db2.gz GOASHQHVLSJBQF-HUUCEWRRSA-N 2 0 325.884 2.384 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820826 776963639 /nfs/dbraw/zinc/96/36/39/776963639.db2.gz PBULAVMPDSUIBY-MLHJIOFPSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC000981539899 777623659 /nfs/dbraw/zinc/62/36/59/777623659.db2.gz ANHCFXPVWVEYRL-RTBURBONSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541006 777624884 /nfs/dbraw/zinc/62/48/84/777624884.db2.gz IKGUBOUIABTHDA-MOPGFXCFSA-N 2 0 331.504 2.149 20 30 EEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982012601 778862239 /nfs/dbraw/zinc/86/22/39/778862239.db2.gz AWNGXHWWVIJGDQ-LJQANCHMSA-N 2 0 337.483 2.309 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001211709780 779421009 /nfs/dbraw/zinc/42/10/09/779421009.db2.gz XTUDLTVYWMMHNW-RBUKOAKNSA-N 2 0 339.483 2.243 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122207 780868938 /nfs/dbraw/zinc/86/89/38/780868938.db2.gz AZEWQNKAKPOSSY-MCIONIFRSA-N 2 0 333.398 2.026 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001035039509 783596273 /nfs/dbraw/zinc/59/62/73/783596273.db2.gz DZNIJOCEVLYVQQ-RHSMWYFYSA-N 2 0 348.516 2.287 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035226315 784112722 /nfs/dbraw/zinc/11/27/22/784112722.db2.gz FXLCDPFIRFQVIY-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233479 784145965 /nfs/dbraw/zinc/14/59/65/784145965.db2.gz FDVTZJUPQDKLSN-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(C#N)c1 ZINC001135939378 784831645 /nfs/dbraw/zinc/83/16/45/784831645.db2.gz ZDIROSLZNUBVIS-CVEARBPZSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450857 787271691 /nfs/dbraw/zinc/27/16/91/787271691.db2.gz OJJFEKLYACAKDZ-BFYDXBDKSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904602 789622077 /nfs/dbraw/zinc/62/20/77/789622077.db2.gz LYRTVJVGVIGWKU-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908303 789782934 /nfs/dbraw/zinc/78/29/34/789782934.db2.gz SNOBTSQNZKHPNA-OKYOBFRVSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001171235312 790255579 /nfs/dbraw/zinc/25/55/79/790255579.db2.gz GWPUYTQNJLZJCX-WMZOPIPTSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939406 793762227 /nfs/dbraw/zinc/76/22/27/793762227.db2.gz PCUGHSVBBJKMQU-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992409719 793995099 /nfs/dbraw/zinc/99/50/99/793995099.db2.gz UDKAKDBSIXEMON-FPOVZHCZSA-N 2 0 343.515 2.245 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540316 794133422 /nfs/dbraw/zinc/13/34/22/794133422.db2.gz PVOVFLGDPHIHSZ-ZJOUEHCJSA-N 2 0 345.531 2.491 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151948602 794332586 /nfs/dbraw/zinc/33/25/86/794332586.db2.gz VXHZMCJUCHOELZ-MDZRGWNJSA-N 2 0 336.524 2.183 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079174801 794409860 /nfs/dbraw/zinc/40/98/60/794409860.db2.gz IBPHSQZNZFVCPV-IPMKNSEASA-N 2 0 345.462 2.380 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992503258 794430682 /nfs/dbraw/zinc/43/06/82/794430682.db2.gz DSNQVMVMYMLKJC-TZIWHRDSSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502237 794436632 /nfs/dbraw/zinc/43/66/32/794436632.db2.gz BBEULVHARCPPND-PZJWPPBQSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999432952 794456290 /nfs/dbraw/zinc/45/62/90/794456290.db2.gz ICAPCHVYVDBFQH-KBPBESRZSA-N 2 0 346.313 2.062 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cccc(F)c1 ZINC001079186131 794466011 /nfs/dbraw/zinc/46/60/11/794466011.db2.gz BFHJTIIPOZFOPQ-ZWKOTPCHSA-N 2 0 345.462 2.380 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)CC1 ZINC000999876551 795071351 /nfs/dbraw/zinc/07/13/51/795071351.db2.gz NVIYNECEHZSQGR-UHFFFAOYSA-N 2 0 345.512 2.172 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093383995 795127741 /nfs/dbraw/zinc/12/77/41/795127741.db2.gz RTPCWCLIOLJSJZ-QZTJIDSGSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)c3ccc4c[nH+]cn4c3C)CC2)CC1 ZINC001000197766 795474130 /nfs/dbraw/zinc/47/41/30/795474130.db2.gz WBNZHKDHTBMQIV-UHFFFAOYSA-N 2 0 336.439 2.250 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C(C)C)C12CCC2 ZINC001203453622 796396313 /nfs/dbraw/zinc/39/63/13/796396313.db2.gz UGWVOQGCFGOTJV-JKSUJKDBSA-N 2 0 328.460 2.047 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673050 796846981 /nfs/dbraw/zinc/84/69/81/796846981.db2.gz VGBRNOLCTDAOFT-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078688877 796869454 /nfs/dbraw/zinc/86/94/54/796869454.db2.gz XFCUNRARRCFDOU-RTBURBONSA-N 2 0 339.483 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078717891 796909493 /nfs/dbraw/zinc/90/94/93/796909493.db2.gz HTDPUDAURUOBIQ-HUUCEWRRSA-N 2 0 325.884 2.098 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001173422882 797442283 /nfs/dbraw/zinc/44/22/83/797442283.db2.gz YRWVCDUGSBNOBD-FUHWJXTLSA-N 2 0 326.444 2.022 20 30 EEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001175324976 798076832 /nfs/dbraw/zinc/07/68/32/798076832.db2.gz FZXBXJGPSFBMHI-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C)CC1 ZINC000994498554 798095790 /nfs/dbraw/zinc/09/57/90/798095790.db2.gz NBMKCTBVRLTGCC-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852425 798502354 /nfs/dbraw/zinc/50/23/54/798502354.db2.gz YXBSWWWVHZSFIG-IEBWSBKVSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978247 798591492 /nfs/dbraw/zinc/59/14/92/798591492.db2.gz FFSFQRQLEFXDJR-QRVBRYPASA-N 2 0 331.504 2.053 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176986366 798675321 /nfs/dbraw/zinc/67/53/21/798675321.db2.gz LVXLFJOLZLGSLY-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001177319967 798858678 /nfs/dbraw/zinc/85/86/78/798858678.db2.gz VFNOISZAKWJLMY-FQEVSTJZSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C\CC)[C@@H]2C)CC1 ZINC001180204614 800308784 /nfs/dbraw/zinc/30/87/84/800308784.db2.gz VVMZHNUYHFNUAD-OIIZEAPSSA-N 2 0 331.504 2.267 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001180259741 800336486 /nfs/dbraw/zinc/33/64/86/800336486.db2.gz KWLLWJYNPGPGQI-IBGZPJMESA-N 2 0 342.487 2.276 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467692 800798049 /nfs/dbraw/zinc/79/80/49/800798049.db2.gz AWCULRNUVWXRCW-LVCYWYKZSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639726 800950959 /nfs/dbraw/zinc/95/09/59/800950959.db2.gz UVWWWYCCFRMOOV-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C2)CC1 ZINC001183496849 801629628 /nfs/dbraw/zinc/62/96/28/801629628.db2.gz PACVPIJXSCIEPL-YLJYHZDGSA-N 2 0 333.520 2.062 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001183759902 801724069 /nfs/dbraw/zinc/72/40/69/801724069.db2.gz QMQGEHQGTMYZCF-MRXNPFEDSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004432711 802041902 /nfs/dbraw/zinc/04/19/02/802041902.db2.gz DRTUZXKUQCKZKP-RTBURBONSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC001184693166 802129909 /nfs/dbraw/zinc/12/99/09/802129909.db2.gz OSCWEFRLGYDUTH-ROUUACIJSA-N 2 0 342.487 2.005 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642879 802552478 /nfs/dbraw/zinc/55/24/78/802552478.db2.gz TUDZIXJQOGJNAS-HCXYKTFWSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086500337 803131875 /nfs/dbraw/zinc/13/18/75/803131875.db2.gz XKQFSLWSTLCDDT-FPCVCCKLSA-N 2 0 325.884 2.240 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108688363 804355457 /nfs/dbraw/zinc/35/54/57/804355457.db2.gz ZLTCLDPSVKSJKO-KSZLIROESA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108732801 804418260 /nfs/dbraw/zinc/41/82/60/804418260.db2.gz CTDFQBLFAZQPPT-BZSNNMDCSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001108787153 804495079 /nfs/dbraw/zinc/49/50/79/804495079.db2.gz LFJUNRNJTWTBGT-BZSNNMDCSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108796708 804518847 /nfs/dbraw/zinc/51/88/47/804518847.db2.gz RSFGNWRTWYQOPK-FHWLQOOXSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830461 804554284 /nfs/dbraw/zinc/55/42/84/804554284.db2.gz NFZVSTFOEGYVCE-SXLOBPIMSA-N 2 0 339.483 2.354 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607795 809748706 /nfs/dbraw/zinc/74/87/06/809748706.db2.gz SSNWXLQPHGTALQ-RBUKOAKNSA-N 2 0 327.472 2.098 20 30 EEEDRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001130614812 811844135 /nfs/dbraw/zinc/84/41/35/811844135.db2.gz FKESVLSYXFANQS-UHFFFAOYSA-N 2 0 341.499 2.397 20 30 EEEDRP Cc1c(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)ccc2c[nH+]cn21 ZINC001130656107 811907162 /nfs/dbraw/zinc/90/71/62/811907162.db2.gz KCLDHLURRGBHKP-UHFFFAOYSA-N 2 0 333.395 2.034 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001445497576 1091274560 /nfs/dbraw/zinc/27/45/60/1091274560.db2.gz LYJUHZDJTNDATR-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001448758509 1093830054 /nfs/dbraw/zinc/83/00/54/1093830054.db2.gz YHMAIPLWGCIIGB-AWEZNQCLSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CN1C(=O)CCC[NH+](C)C ZINC001449036585 1094048858 /nfs/dbraw/zinc/04/88/58/1094048858.db2.gz WKXJMWXBNXSEAZ-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001441593116 1095429453 /nfs/dbraw/zinc/42/94/53/1095429453.db2.gz YYOAQEWCNDQHPI-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CN1C(=O)CCC[NH+](C)C ZINC001441847748 1095931340 /nfs/dbraw/zinc/93/13/40/1095931340.db2.gz YPCXDITYLAZLMW-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480379966 1100170465 /nfs/dbraw/zinc/17/04/65/1100170465.db2.gz NYSATULWVPSJHE-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000491744509 533105971 /nfs/dbraw/zinc/10/59/71/533105971.db2.gz JFHVRKLFLGOOAC-GOSISDBHSA-N 2 0 345.462 2.109 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000491474448 533148498 /nfs/dbraw/zinc/14/84/98/533148498.db2.gz MUHMVBQPDRRUQD-RDJZCZTQSA-N 2 0 331.460 2.170 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000491504551 533163772 /nfs/dbraw/zinc/16/37/72/533163772.db2.gz IJYHDQYNJGUUHU-KRWDZBQOSA-N 2 0 327.472 2.290 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000491801150 533163463 /nfs/dbraw/zinc/16/34/63/533163463.db2.gz BNVZUNUNNKVTMM-UHFFFAOYSA-N 2 0 327.472 2.292 20 30 EEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000369398900 166253219 /nfs/dbraw/zinc/25/32/19/166253219.db2.gz QUMNBIZWFNXMJJ-LJQANCHMSA-N 2 0 342.487 2.037 20 30 EEEDRP N#CCC[C@H](C#N)CNCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000578860575 468270081 /nfs/dbraw/zinc/27/00/81/468270081.db2.gz XPAPOFONJIEKIC-GOSISDBHSA-N 2 0 325.460 2.232 20 30 EEEDRP C[NH+]1CCC2(CCCN2C(=O)NCc2cn3ccccc3n2)CC1 ZINC000329089677 465229688 /nfs/dbraw/zinc/22/96/88/465229688.db2.gz WHFBBXRQYKPJFE-UHFFFAOYSA-N 2 0 327.432 2.309 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)CC1 ZINC000112919759 462554720 /nfs/dbraw/zinc/55/47/20/462554720.db2.gz GAIPUXCSZKZKRR-IBGZPJMESA-N 2 0 331.504 2.146 20 30 EEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106412 462690209 /nfs/dbraw/zinc/69/02/09/462690209.db2.gz LZJWSRZVEXVJOR-WMZOPIPTSA-N 2 0 326.444 2.303 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000119592527 462913073 /nfs/dbraw/zinc/91/30/73/462913073.db2.gz QLHFXFZCSMOWNN-LJQANCHMSA-N 2 0 329.488 2.463 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017395 463773108 /nfs/dbraw/zinc/77/31/08/463773108.db2.gz RUVBKJHDHWCMCO-KRWDZBQOSA-N 2 0 327.472 2.146 20 30 EEEDRP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261994241 463920263 /nfs/dbraw/zinc/92/02/63/463920263.db2.gz RZYDKMHEFVMWHE-UQSIQIAASA-N 2 0 338.499 2.220 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000287725592 463982422 /nfs/dbraw/zinc/98/24/22/463982422.db2.gz NVHPOQVYCVZALO-SFHVURJKSA-N 2 0 348.466 2.378 20 30 EEEDRP C[NH+]=C(NCc1ccc(Cl)cc1OC)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262822627 464048263 /nfs/dbraw/zinc/04/82/63/464048263.db2.gz XLYJNEUAYLEKJN-INIZCTEOSA-N 2 0 348.878 2.370 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000264122877 464285055 /nfs/dbraw/zinc/28/50/55/464285055.db2.gz VMHXGHRTPPPLPE-OAHLLOKOSA-N 2 0 331.508 2.174 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)nc1 ZINC000272210533 464519311 /nfs/dbraw/zinc/51/93/11/464519311.db2.gz NZAKPGWIHWYOEA-OAHLLOKOSA-N 2 0 333.480 2.148 20 30 EEEDRP C=CCNC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383413 464543917 /nfs/dbraw/zinc/54/39/17/464543917.db2.gz BOYWIDWPIWJJEO-FXAWDEMLSA-N 2 0 327.472 2.275 20 30 EEEDRP C[C@@H]1[C@H](C)N(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC[N@H+]1C ZINC000330893380 465849779 /nfs/dbraw/zinc/84/97/79/465849779.db2.gz QUDQEUVTTDDZJP-OLZOCXBDSA-N 2 0 347.463 2.201 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376328538 466906395 /nfs/dbraw/zinc/90/63/95/466906395.db2.gz SZCCYVRYDCWWSM-SJLPKXTDSA-N 2 0 334.508 2.295 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000424139552 466988821 /nfs/dbraw/zinc/98/88/21/466988821.db2.gz APUTXZVTFNKPTP-SFHVURJKSA-N 2 0 328.460 2.036 20 30 EEEDRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424153434 466991668 /nfs/dbraw/zinc/99/16/68/466991668.db2.gz KZOCCESHIHTHNO-RTBURBONSA-N 2 0 342.487 2.378 20 30 EEEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC#CCOC)CC1 ZINC000678762073 485494114 /nfs/dbraw/zinc/49/41/14/485494114.db2.gz YOLQJRDYEIJELH-INIZCTEOSA-N 2 0 333.451 2.268 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000970792773 676154354 /nfs/dbraw/zinc/15/43/54/676154354.db2.gz VNOWGZUGKGFCNC-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000949379086 676177279 /nfs/dbraw/zinc/17/72/79/676177279.db2.gz MUCUUDCTTNDNMQ-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001021090296 675716212 /nfs/dbraw/zinc/71/62/12/675716212.db2.gz SFGUOJKCKVKABD-MXVIHJGJSA-N 2 0 343.515 2.459 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740859 676400328 /nfs/dbraw/zinc/40/03/28/676400328.db2.gz WTLDJJQLFZVEMB-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000972354836 678595022 /nfs/dbraw/zinc/59/50/22/678595022.db2.gz PWMAMWJCLKAGSG-WMZOPIPTSA-N 2 0 346.450 2.070 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023125515 679135031 /nfs/dbraw/zinc/13/50/31/679135031.db2.gz RROWFXATDLQRGK-NMWPEEMBSA-N 2 0 346.500 2.229 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001023553995 679374770 /nfs/dbraw/zinc/37/47/70/679374770.db2.gz DUABFHQASCBPFE-HKUYNNGSSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696402 679486684 /nfs/dbraw/zinc/48/66/84/679486684.db2.gz MFUQEFKOWFGRAN-RTBURBONSA-N 2 0 333.520 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366762 679883844 /nfs/dbraw/zinc/88/38/44/679883844.db2.gz VFOYBOAARHEBJJ-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279440 682388140 /nfs/dbraw/zinc/38/81/40/682388140.db2.gz BQLHADYJQVNING-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CC3CCC3)CC2)CC1 ZINC001029173066 683310317 /nfs/dbraw/zinc/31/03/17/683310317.db2.gz KUNPELXWKNGJGN-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001026331592 684294018 /nfs/dbraw/zinc/29/40/18/684294018.db2.gz WYNBRDSWRQLKSH-HRCADAONSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026547964 684731889 /nfs/dbraw/zinc/73/18/89/684731889.db2.gz JQFGYCRGLVEDCX-TVPLGVNVSA-N 2 0 331.504 2.434 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccsc2)CC1(C)C ZINC000974683049 685231049 /nfs/dbraw/zinc/23/10/49/685231049.db2.gz BFWDINFTTAETHD-IRXDYDNUSA-N 2 0 345.512 2.172 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)[C@H]2C)CC1 ZINC000987569932 689845873 /nfs/dbraw/zinc/84/58/73/689845873.db2.gz JFNKJJXLOJOCQR-VQIMIIECSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541928 692788311 /nfs/dbraw/zinc/78/83/11/692788311.db2.gz DGDINJRXENBCRR-RBUKOAKNSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664068 693170961 /nfs/dbraw/zinc/17/09/61/693170961.db2.gz SSQILJFQKVBRAS-YFVAEKQCSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC000978421631 693588473 /nfs/dbraw/zinc/58/84/73/693588473.db2.gz XPSDJIPWDNFMGI-OKYOBFRVSA-N 2 0 333.520 2.367 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943515443 1192325932 /nfs/dbraw/zinc/32/59/32/1192325932.db2.gz GVQHWPZRWNBLKF-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001754745087 1179314430 /nfs/dbraw/zinc/31/44/30/1179314430.db2.gz TUXBZERIPDYGBO-HNNXBMFYSA-N 2 0 329.435 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)CC1 ZINC001088430729 1186868136 /nfs/dbraw/zinc/86/81/36/1186868136.db2.gz WYRCYKFJSSMUIN-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP N#Cc1ccc(C[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001168147617 1187027795 /nfs/dbraw/zinc/02/77/95/1187027795.db2.gz VITYUNQPNMYKBN-UHFFFAOYSA-N 2 0 340.471 2.030 20 30 EEEDRP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001105443040 1187166063 /nfs/dbraw/zinc/16/60/63/1187166063.db2.gz UOIMLRMEBHOODO-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569018 1187408489 /nfs/dbraw/zinc/40/84/89/1187408489.db2.gz DPXIVUWUWYLXIH-AOIWGVFYSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001272910921 1193601310 /nfs/dbraw/zinc/60/13/10/1193601310.db2.gz HAAZHYOAPKIGIA-HXUWFJFHSA-N 2 0 340.471 2.077 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001483916156 1191115456 /nfs/dbraw/zinc/11/54/56/1191115456.db2.gz MCIBQPHQGQXJPP-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CN(CCC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001484745553 1191496353 /nfs/dbraw/zinc/49/63/53/1191496353.db2.gz KDDOPLKWGBDPHX-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138111 1195810812 /nfs/dbraw/zinc/81/08/12/1195810812.db2.gz NSXFTRPLUXOMAT-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001005691746 1196677923 /nfs/dbraw/zinc/67/79/23/1196677923.db2.gz QTGFQKNMBDPMTC-UHFFFAOYSA-N 2 0 339.443 2.380 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001410890000 1198541558 /nfs/dbraw/zinc/54/15/58/1198541558.db2.gz SAYLBDYPVZBMKI-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001132284137 1199518529 /nfs/dbraw/zinc/51/85/29/1199518529.db2.gz XYNXGJJZDGIGEL-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133012870 1200334777 /nfs/dbraw/zinc/33/47/77/1200334777.db2.gz VNDGRDZCXFSRHF-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001133092069 1200434203 /nfs/dbraw/zinc/43/42/03/1200434203.db2.gz YKMNZENADMRTTD-QFBILLFUSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133249557 1200640647 /nfs/dbraw/zinc/64/06/47/1200640647.db2.gz GXDXEHXIBGNPKQ-PXNSSMCTSA-N 2 0 345.531 2.206 20 30 EEEDRP CCCOc1cccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000135109593 1202338159 /nfs/dbraw/zinc/33/81/59/1202338159.db2.gz OMDFWCXGCNCNAT-KRWDZBQOSA-N 2 0 332.492 2.407 20 30 EEEDRP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001274958373 1205220059 /nfs/dbraw/zinc/22/00/59/1205220059.db2.gz BTMKZPVLWSSLHK-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925936384 1206171546 /nfs/dbraw/zinc/17/15/46/1206171546.db2.gz NQXABKRDSSHODZ-AEFFLSMTSA-N 2 0 344.503 2.193 20 30 EEEDRP C[NH+](C)CC#CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000929890251 1206513807 /nfs/dbraw/zinc/51/38/07/1206513807.db2.gz STGQOYNAMCZZFS-UHFFFAOYSA-N 2 0 342.487 2.402 20 30 EEEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929951776 1206521206 /nfs/dbraw/zinc/52/12/06/1206521206.db2.gz FWITYKJHZPYCRL-UHFFFAOYSA-N 2 0 334.508 2.240 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722854 1208686976 /nfs/dbraw/zinc/68/69/76/1208686976.db2.gz MHLSYOHEMBCYRJ-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432442 1209135128 /nfs/dbraw/zinc/13/51/28/1209135128.db2.gz GWYITFHVAICDHP-MJGOQNOKSA-N 2 0 349.519 2.129 20 30 EEEDRP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1cccc(C)c1 ZINC000303786746 1213905132 /nfs/dbraw/zinc/90/51/32/1213905132.db2.gz RPBBBSOBSVUYNL-SFHVURJKSA-N 2 0 331.508 2.210 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885725 1213920818 /nfs/dbraw/zinc/92/08/18/1213920818.db2.gz JYUWEPPZCAXORR-ZWKOTPCHSA-N 3 0 337.556 2.132 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552469 1215203894 /nfs/dbraw/zinc/20/38/94/1215203894.db2.gz QSYOMXNFIHXEDX-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1 ZINC000304741401 1216102322 /nfs/dbraw/zinc/10/23/22/1216102322.db2.gz CBWUYMWRQLLJGT-UHFFFAOYSA-N 2 0 334.464 2.311 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSc1nccs1 ZINC000304758458 1216103108 /nfs/dbraw/zinc/10/31/08/1216103108.db2.gz QAXGYHFPOQBKST-GFCCVEGCSA-N 2 0 327.523 2.014 20 30 EEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248294 1217108373 /nfs/dbraw/zinc/10/83/73/1217108373.db2.gz DQBDPTWKFWVGEA-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253575 1217111661 /nfs/dbraw/zinc/11/16/61/1217111661.db2.gz QOIZPPZRDPDDFO-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965853 1221704413 /nfs/dbraw/zinc/70/44/13/1221704413.db2.gz ZXQHJWAOQZVJSU-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001009624864 1223306912 /nfs/dbraw/zinc/30/69/12/1223306912.db2.gz BAXJAKWXDMUEFL-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663468 1226747634 /nfs/dbraw/zinc/74/76/34/1226747634.db2.gz RQXFPOHVNRFSSZ-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663466 1226747664 /nfs/dbraw/zinc/74/76/64/1226747664.db2.gz RQXFPOHVNRFSSZ-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788592 1226878087 /nfs/dbraw/zinc/87/80/87/1226878087.db2.gz BRNFXNIOZXBPQF-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001020250877 1229583169 /nfs/dbraw/zinc/58/31/69/1229583169.db2.gz VKWPSQQMZXVBES-UFYCRDLUSA-N 2 0 339.483 2.083 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137356 1230349870 /nfs/dbraw/zinc/34/98/70/1230349870.db2.gz GTCPDDWVLBPWLM-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001039182100 1230408683 /nfs/dbraw/zinc/40/86/83/1230408683.db2.gz IXGHSIDQZWKZLL-FQEVSTJZSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240493 1231125395 /nfs/dbraw/zinc/12/53/95/1231125395.db2.gz HDFOIFISPBPODR-PZJWPPBQSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313572 1231164594 /nfs/dbraw/zinc/16/45/94/1231164594.db2.gz LLBORBJCBRMQAU-TZIWHRDSSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040790237 1231369200 /nfs/dbraw/zinc/36/92/00/1231369200.db2.gz SIRVTTOPUNKSEM-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040798410 1231371698 /nfs/dbraw/zinc/37/16/98/1231371698.db2.gz NIPXBIGNRAYSED-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357665 1231518905 /nfs/dbraw/zinc/51/89/05/1231518905.db2.gz IBKHVXMDUHMSBF-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268419 1231993678 /nfs/dbraw/zinc/99/36/78/1231993678.db2.gz CZVMYDDZFFSTCR-QUCCMNQESA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368454 1232050272 /nfs/dbraw/zinc/05/02/72/1232050272.db2.gz QMEMAHAAXRLMLV-FXAWDEMLSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045940945 1234198185 /nfs/dbraw/zinc/19/81/85/1234198185.db2.gz GASVRHMBYMYKSC-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317946 1234662891 /nfs/dbraw/zinc/66/28/91/1234662891.db2.gz JITSMIYMQUCQPO-FXAWDEMLSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046963985 1235364688 /nfs/dbraw/zinc/36/46/88/1235364688.db2.gz KZKDOVXTZGYSCR-JKSUJKDBSA-N 2 0 343.462 2.368 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242868 1235731875 /nfs/dbraw/zinc/73/18/75/1235731875.db2.gz HQJRZNUDIHRQOE-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047265400 1235777673 /nfs/dbraw/zinc/77/76/73/1235777673.db2.gz HVHDZFBAOSXARZ-LJQANCHMSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556567 1237955212 /nfs/dbraw/zinc/95/52/12/1237955212.db2.gz MOCMMBOQJCENAL-FKSLSLAPSA-N 2 0 331.504 2.099 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820348 1238738483 /nfs/dbraw/zinc/73/84/83/1238738483.db2.gz GEODWNDXOMVUKV-GBESFXJTSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]2C1 ZINC001048960931 1239582853 /nfs/dbraw/zinc/58/28/53/1239582853.db2.gz QZSWMXLGSJHNLK-KDURUIRLSA-N 2 0 341.499 2.371 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687740 1240737535 /nfs/dbraw/zinc/73/75/35/1240737535.db2.gz HTTRHWWHRXSPSY-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821032 1242308381 /nfs/dbraw/zinc/30/83/81/1242308381.db2.gz QXTNCTTWIBMIHZ-OALUTQOASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913388 1242675140 /nfs/dbraw/zinc/67/51/40/1242675140.db2.gz WPRXRMBYBQXWMY-MOPGFXCFSA-N 2 0 325.456 2.060 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050661838 1244069915 /nfs/dbraw/zinc/06/99/15/1244069915.db2.gz DIJOCFGJBMIACL-OAHLLOKOSA-N 2 0 325.884 2.148 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C/C=C\Cl)CC3)CC1 ZINC001050764898 1244316997 /nfs/dbraw/zinc/31/69/97/1244316997.db2.gz IWYIXJAHROHVNK-BAQGIRSFSA-N 2 0 349.906 2.009 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051190 1245772223 /nfs/dbraw/zinc/77/22/23/1245772223.db2.gz KSLCYKVSXCZHBA-OALUTQOASA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448422 1247310897 /nfs/dbraw/zinc/31/08/97/1247310897.db2.gz ZEHUOAHOTIZCCR-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448421 1247312077 /nfs/dbraw/zinc/31/20/77/1247312077.db2.gz ZEHUOAHOTIZCCR-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054245053 1247861798 /nfs/dbraw/zinc/86/17/98/1247861798.db2.gz NVSGIDWHEAQVRV-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059371 1255624624 /nfs/dbraw/zinc/62/46/24/1255624624.db2.gz CTMBBXBVQNNPEU-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098485544 1257708578 /nfs/dbraw/zinc/70/85/78/1257708578.db2.gz KFSWUSMKAFPZMF-NXHRZFHOSA-N 2 0 343.471 2.480 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115954 1257977193 /nfs/dbraw/zinc/97/71/93/1257977193.db2.gz LYYDERDBFMPMNN-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200894640 1287210899 /nfs/dbraw/zinc/21/08/99/1287210899.db2.gz OIXOQKVKYJMPSS-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185411732 1278641814 /nfs/dbraw/zinc/64/18/14/1278641814.db2.gz LNTXLXLSVQADBS-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](CC)CC ZINC001185609036 1278715833 /nfs/dbraw/zinc/71/58/33/1278715833.db2.gz BNVQNHAJBSBHON-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(C#N)c1F ZINC001190536675 1280936224 /nfs/dbraw/zinc/93/62/24/1280936224.db2.gz AIARDSNITGIMLW-UHFFFAOYSA-N 2 0 334.439 2.043 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019929 1281177602 /nfs/dbraw/zinc/17/76/02/1281177602.db2.gz RDGGVSKWBAPFOE-GOSISDBHSA-N 2 0 342.487 2.321 20 30 EEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408117 1282474832 /nfs/dbraw/zinc/47/48/32/1282474832.db2.gz DPENIAOAFCIUQM-AZUAARDMSA-N 2 0 327.472 2.019 20 30 EEEDRP C=CCOCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484426 1284626803 /nfs/dbraw/zinc/62/68/03/1284626803.db2.gz DDVGWLSLKIAXMX-SFHVURJKSA-N 2 0 339.524 2.090 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000105450856 1286395304 /nfs/dbraw/zinc/39/53/04/1286395304.db2.gz HMVRTCYOZUXMDM-QGZVFWFLSA-N 2 0 344.503 2.341 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110714681 1293677609 /nfs/dbraw/zinc/67/76/09/1293677609.db2.gz CEXBBYRDFXPBEJ-KURKYZTESA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250848 1295779801 /nfs/dbraw/zinc/77/98/01/1295779801.db2.gz WXWXGKFGWCNQQT-GOSISDBHSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001211307256 1295811679 /nfs/dbraw/zinc/81/16/79/1295811679.db2.gz PYFLPJODHWXGQL-ZHALLVOQSA-N 2 0 331.504 2.123 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615775 1298962094 /nfs/dbraw/zinc/96/20/94/1298962094.db2.gz YTAJHCGUEFAKQB-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]21 ZINC001223690607 1300227811 /nfs/dbraw/zinc/22/78/11/1300227811.db2.gz JDQGXWOCDBKEAG-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372751 1300951855 /nfs/dbraw/zinc/95/18/55/1300951855.db2.gz NNOFSTUNCUWGJM-RKVPGOIHSA-N 2 0 325.472 2.069 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102601161 1301275361 /nfs/dbraw/zinc/27/53/61/1301275361.db2.gz OELQMVXDOIIUFV-VQIMIIECSA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086415 1302193331 /nfs/dbraw/zinc/19/33/31/1302193331.db2.gz AVOURSOAWZZODQ-WQVCFCJDSA-N 2 0 327.900 2.153 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229229886 1302684827 /nfs/dbraw/zinc/68/48/27/1302684827.db2.gz DKFXAIPLPTYXNV-WOJBJXKFSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112117932 1304255719 /nfs/dbraw/zinc/25/57/19/1304255719.db2.gz JVXPMSCVTFEZAJ-MCIONIFRSA-N 2 0 335.414 2.128 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206128 1304330800 /nfs/dbraw/zinc/33/08/00/1304330800.db2.gz ILLVYZFPDKYUEY-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)CCN(C)c2cc[nH+]cc2)CCCCC1 ZINC001115606423 1305495927 /nfs/dbraw/zinc/49/59/27/1305495927.db2.gz FYEBEXDZLQJEIZ-UHFFFAOYSA-N 2 0 342.487 2.340 20 30 EEEDRP C=CCOc1cccc(C[N@@H+]2CCC3(C[NH2+]C3)[C@@H](C(=O)OCC)C2)c1 ZINC001237430630 1305928578 /nfs/dbraw/zinc/92/85/78/1305928578.db2.gz LHZDBTZHLNLUFI-GOSISDBHSA-N 2 0 344.455 2.226 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120400640 1309510747 /nfs/dbraw/zinc/51/07/47/1309510747.db2.gz DOBZDYSLCWFOSU-QZTJIDSGSA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347039 1309988746 /nfs/dbraw/zinc/98/87/46/1309988746.db2.gz DODMJUKXZSJRPI-QAELIBMJSA-N 2 0 331.504 2.147 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2ccccc2F)CCN1 ZINC001246445975 1310313801 /nfs/dbraw/zinc/31/38/01/1310313801.db2.gz AWPSALRQIKSOQD-BXWFABGCSA-N 2 0 330.451 2.490 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202977298 1314780863 /nfs/dbraw/zinc/78/08/63/1314780863.db2.gz CGYOXAMBMDNXAC-HZPDHXFCSA-N 2 0 345.512 2.464 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149727900 1316026796 /nfs/dbraw/zinc/02/67/96/1316026796.db2.gz QLPACUGHZWRBHQ-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855425 1316068379 /nfs/dbraw/zinc/06/83/79/1316068379.db2.gz YTZRJSGDYRTFFW-WMZOPIPTSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855423 1316068880 /nfs/dbraw/zinc/06/88/80/1316068880.db2.gz YTZRJSGDYRTFFW-FUHWJXTLSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150036476 1316134017 /nfs/dbraw/zinc/13/40/17/1316134017.db2.gz OPQQITPEBQOFFP-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351385 1316240661 /nfs/dbraw/zinc/24/06/61/1316240661.db2.gz XKBSIDBGVQMSBE-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150624801 1316319888 /nfs/dbraw/zinc/31/98/88/1316319888.db2.gz GQURQYHCZJUFTD-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611886 1317673561 /nfs/dbraw/zinc/67/35/61/1317673561.db2.gz JZIVBMJDGDSIBM-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254964626 1318241126 /nfs/dbraw/zinc/24/11/26/1318241126.db2.gz RPMUDYOKQAOYRT-ROUUACIJSA-N 2 0 331.504 2.036 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCC1 ZINC001158072779 1318995462 /nfs/dbraw/zinc/99/54/62/1318995462.db2.gz CYMNCRUFPJQTBY-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP N#CCc1ccc(OCc2ccc(N[C@@H]([NH3+])CCC[NH3+])nc2)cc1 ZINC001159787655 1319990968 /nfs/dbraw/zinc/99/09/68/1319990968.db2.gz ASXVSTFTQVYAAR-QGZVFWFLSA-N 2 0 325.416 2.162 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001161041486 1320364276 /nfs/dbraw/zinc/36/42/76/1320364276.db2.gz JPNLWGZOJXTUCT-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001161251657 1320434568 /nfs/dbraw/zinc/43/45/68/1320434568.db2.gz TURCLEBXTWCHFV-UHFFFAOYSA-N 2 0 334.439 2.024 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001163819803 1321224752 /nfs/dbraw/zinc/22/47/52/1321224752.db2.gz AMDWNKIFUMOZFO-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001163820593 1321225251 /nfs/dbraw/zinc/22/52/51/1321225251.db2.gz GLOJYYZUTAKVQI-INIZCTEOSA-N 2 0 346.500 2.090 20 30 EEEDRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001165246071 1321482959 /nfs/dbraw/zinc/48/29/59/1321482959.db2.gz LAABWAHHLNKFLM-UHFFFAOYSA-N 2 0 339.439 2.102 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166380717 1321709013 /nfs/dbraw/zinc/70/90/13/1321709013.db2.gz HMQSKRSGEWQAOP-MRXNPFEDSA-N 2 0 339.911 2.489 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312054 1321862945 /nfs/dbraw/zinc/86/29/45/1321862945.db2.gz QLKWVXBYEUZBTI-KGLIPLIRSA-N 2 0 325.884 2.098 20 30 EEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203554259 1321911003 /nfs/dbraw/zinc/91/10/03/1321911003.db2.gz BHSJUBAVNWTPOO-ROUUACIJSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001263121468 1322435686 /nfs/dbraw/zinc/43/56/86/1322435686.db2.gz XMGWTFINMNOHCR-CRAIPNDOSA-N 2 0 330.476 2.407 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205391073 1323107963 /nfs/dbraw/zinc/10/79/63/1323107963.db2.gz LQZNPOPBYPPPPJ-IPMKNSEASA-N 2 0 345.462 2.380 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456362 1323143550 /nfs/dbraw/zinc/14/35/50/1323143550.db2.gz SCUZLURGOHIYDE-NZSAHSFTSA-N 2 0 345.462 2.238 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205625407 1323220960 /nfs/dbraw/zinc/22/09/60/1323220960.db2.gz LEVBDOWOMVIAHN-QXAKKESOSA-N 2 0 345.462 2.073 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001208454581 1324506694 /nfs/dbraw/zinc/50/66/94/1324506694.db2.gz YJOKYVCAXVFONV-GOSISDBHSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1CC#Cc1ccc(F)cc1 ZINC001316606871 1324599634 /nfs/dbraw/zinc/59/96/34/1324599634.db2.gz LYPOZTRKKJVVSJ-LJQANCHMSA-N 2 0 345.462 2.052 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001209313606 1324898615 /nfs/dbraw/zinc/89/86/15/1324898615.db2.gz FLYYDZIXQBSYHI-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209651182 1325000081 /nfs/dbraw/zinc/00/00/81/1325000081.db2.gz NTFRPERPAANOMB-IBGZPJMESA-N 2 0 329.488 2.318 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076306 1337983406 /nfs/dbraw/zinc/98/34/06/1337983406.db2.gz JGZSDCKKFTUXCK-QZTJIDSGSA-N 2 0 341.540 2.240 20 30 EEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959115 1367963196 /nfs/dbraw/zinc/96/31/96/1367963196.db2.gz LFJVZVJZHRLAFR-GJZGRUSLSA-N 2 0 327.432 2.330 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953583 1369763692 /nfs/dbraw/zinc/76/36/92/1369763692.db2.gz QOMMMAOFYFKVMJ-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112214274 1371363200 /nfs/dbraw/zinc/36/32/00/1371363200.db2.gz SXJDXMXQINJKIR-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121348516 1371870630 /nfs/dbraw/zinc/87/06/30/1371870630.db2.gz YETNQCIVCKWKSY-WZXTXQKWSA-N 2 0 331.504 2.147 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001371867080 1375659047 /nfs/dbraw/zinc/65/90/47/1375659047.db2.gz GNYVCMRMBSSKQZ-QAPCUYQASA-N 2 0 330.476 2.129 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001371880396 1375664131 /nfs/dbraw/zinc/66/41/31/1375664131.db2.gz JKDKJSKXKFBKSB-CRAIPNDOSA-N 2 0 330.476 2.129 20 30 EEEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001378922079 1380283733 /nfs/dbraw/zinc/28/37/33/1380283733.db2.gz GAAUYAKTTPBHTA-MRXNPFEDSA-N 2 0 327.900 2.394 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001392195100 1389887214 /nfs/dbraw/zinc/88/72/14/1389887214.db2.gz ZGWLYSDUMFDZRN-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392231683 1389914263 /nfs/dbraw/zinc/91/42/63/1389914263.db2.gz ILBWWDPTVXIAGL-KRWDZBQOSA-N 2 0 348.516 2.192 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001393039523 1390289834 /nfs/dbraw/zinc/28/98/34/1390289834.db2.gz QSFIEPDGSDGCNZ-CABCVRRESA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001753191102 1406708800 /nfs/dbraw/zinc/70/88/00/1406708800.db2.gz YRIIIDOKDISWER-CRAIPNDOSA-N 2 0 347.890 2.080 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001403359064 1399783209 /nfs/dbraw/zinc/78/32/09/1399783209.db2.gz UXPJMDAYLZZZJA-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755521746 1407581454 /nfs/dbraw/zinc/58/14/54/1407581454.db2.gz PIIGJAFUGVFHOJ-UYAOXDASSA-N 2 0 341.499 2.254 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]CC#Cc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001755658164 1407709556 /nfs/dbraw/zinc/70/95/56/1407709556.db2.gz GJOFTKDNQYEZBS-QAPCUYQASA-N 2 0 347.890 2.222 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001168023660 782294437 /nfs/dbraw/zinc/29/44/37/782294437.db2.gz ZIMKGCIOTMYARR-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209453406 757392915 /nfs/dbraw/zinc/39/29/15/757392915.db2.gz HXYLBJCFXUTLIC-UHFFFAOYSA-N 2 0 334.552 2.154 20 30 EEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1nccn1C)C2 ZINC001112486514 757922213 /nfs/dbraw/zinc/92/22/13/757922213.db2.gz WGSQQOHZHZPMLO-LPHOPBHVSA-N 2 0 330.476 2.147 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491217 758073598 /nfs/dbraw/zinc/07/35/98/758073598.db2.gz KNHPOBCUJCWACZ-ZJOUEHCJSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075454046 760709252 /nfs/dbraw/zinc/70/92/52/760709252.db2.gz JWYOKMQLFAWZNN-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445043 769262334 /nfs/dbraw/zinc/26/23/34/769262334.db2.gz CRKMZUOQCWLTPA-OALUTQOASA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565707 770433816 /nfs/dbraw/zinc/43/38/16/770433816.db2.gz XGDZBBZLPMDTEW-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001105412834 783024637 /nfs/dbraw/zinc/02/46/37/783024637.db2.gz DPQPVXQKGADBSI-IRFCIJBXSA-N 2 0 341.499 2.463 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212364 783063142 /nfs/dbraw/zinc/06/31/42/783063142.db2.gz GKLGDZIVFPXKAE-MJGOQNOKSA-N 2 0 339.483 2.165 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734218 774793257 /nfs/dbraw/zinc/79/32/57/774793257.db2.gz MANZKAALQOCRCN-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833500 777339487 /nfs/dbraw/zinc/33/94/87/777339487.db2.gz LATZXSJAPIJLPN-NBYUQASBSA-N 2 0 348.450 2.140 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839482 777551021 /nfs/dbraw/zinc/55/10/21/777551021.db2.gz TZPQTEYGSUFSOU-VLQPXKRTSA-N 2 0 336.439 2.303 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981528536 777592684 /nfs/dbraw/zinc/59/26/84/777592684.db2.gz RUWNMYGAPIPXGG-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847714 777905889 /nfs/dbraw/zinc/90/58/89/777905889.db2.gz WVFQVDGZPKMTEO-FJIDUMEYSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981959107 778666248 /nfs/dbraw/zinc/66/62/48/778666248.db2.gz ZBTURRBCCSJQMD-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122208 780868660 /nfs/dbraw/zinc/86/86/60/780868660.db2.gz AZEWQNKAKPOSSY-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122481 780871608 /nfs/dbraw/zinc/87/16/08/780871608.db2.gz PFADGVVEVQMRKV-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088328925 783522704 /nfs/dbraw/zinc/52/27/04/783522704.db2.gz JEQATIPBJPGYGN-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135314890 783597160 /nfs/dbraw/zinc/59/71/60/783597160.db2.gz INGQVEBPKSEAIU-ZWKOTPCHSA-N 2 0 329.488 2.253 20 30 EEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472516 783828993 /nfs/dbraw/zinc/82/89/93/783828993.db2.gz ZTUZEPFBOSXWOC-DLBZAZTESA-N 2 0 329.488 2.301 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975863 784924601 /nfs/dbraw/zinc/92/46/01/784924601.db2.gz DQQUNAQKWXTRHU-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035736416 785045409 /nfs/dbraw/zinc/04/54/09/785045409.db2.gz DJIPZUCHWLHFPX-UHFFFAOYSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035755478 785064373 /nfs/dbraw/zinc/06/43/73/785064373.db2.gz NLFXDUUNZWDJSB-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036193318 785964047 /nfs/dbraw/zinc/96/40/47/785964047.db2.gz MESIJZPQWVVMDN-ZFWWWQNUSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996675330 787102201 /nfs/dbraw/zinc/10/22/01/787102201.db2.gz XPSOPDFZOWTDGR-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996731689 787335918 /nfs/dbraw/zinc/33/59/18/787335918.db2.gz ZPUMUVYRUKYEFQ-KRWDZBQOSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485309 787381307 /nfs/dbraw/zinc/38/13/07/787381307.db2.gz TYHVCSBABJIURC-UYAOXDASSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567684 787676030 /nfs/dbraw/zinc/67/60/30/787676030.db2.gz FXPRDKHCWQDGBI-UYAOXDASSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001006001173 789231002 /nfs/dbraw/zinc/23/10/02/789231002.db2.gz KRJZCAGMPJNSFL-MRXNPFEDSA-N 2 0 330.476 2.253 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997280957 789553535 /nfs/dbraw/zinc/55/35/35/789553535.db2.gz SYXRSYKBPAHSPC-OAHLLOKOSA-N 2 0 331.460 2.195 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997372615 789867909 /nfs/dbraw/zinc/86/79/09/789867909.db2.gz JPJOFHGDASDKOW-QGZVFWFLSA-N 2 0 333.520 2.347 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001171215902 790074752 /nfs/dbraw/zinc/07/47/52/790074752.db2.gz GBCQVVFYUNGBFM-KRWDZBQOSA-N 2 0 347.890 2.129 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146336934 791180466 /nfs/dbraw/zinc/18/04/66/791180466.db2.gz CEMNZJVXGGKYNT-CABCVRRESA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001146458752 791281818 /nfs/dbraw/zinc/28/18/18/791281818.db2.gz PJUPNGLZSVINFT-UHFFFAOYSA-N 2 0 349.232 2.100 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001147824712 791982923 /nfs/dbraw/zinc/98/29/23/791982923.db2.gz MTABBNDXWFVZTK-PKOBYXMFSA-N 2 0 345.462 2.003 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086938322 793023398 /nfs/dbraw/zinc/02/33/98/793023398.db2.gz NKUJFQFVAYQDDK-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169337 793923891 /nfs/dbraw/zinc/92/38/91/793923891.db2.gz PDSKXZNDUCTRKO-UYSNPLJNSA-N 2 0 325.884 2.192 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416529 793976307 /nfs/dbraw/zinc/97/63/07/793976307.db2.gz OMXVKGPTLPWBLZ-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999481105 794532344 /nfs/dbraw/zinc/53/23/44/794532344.db2.gz ARYXQTSTLSCRTA-HNNXBMFYSA-N 2 0 325.884 2.196 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079318628 794574320 /nfs/dbraw/zinc/57/43/20/794574320.db2.gz POMCFUKLWHFITG-HHXXYDBFSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372617 795104295 /nfs/dbraw/zinc/10/42/95/795104295.db2.gz FZODROCKNDIPEF-RBUKOAKNSA-N 2 0 345.531 2.299 20 30 EEEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001093383544 795125369 /nfs/dbraw/zinc/12/53/69/795125369.db2.gz MUDZOFAZOCDIMW-SFHVURJKSA-N 2 0 343.515 2.361 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415046 796203301 /nfs/dbraw/zinc/20/33/01/796203301.db2.gz KSRMWQSDIWFYNK-NLWGTHIKSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081168421 796668672 /nfs/dbraw/zinc/66/86/72/796668672.db2.gz XHDOJZQFURVZKA-FRYIKTPZSA-N 2 0 341.499 2.487 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078717892 796909920 /nfs/dbraw/zinc/90/99/20/796909920.db2.gz HTDPUDAURUOBIQ-LSDHHAIUSA-N 2 0 325.884 2.098 20 30 EEEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172992816 797202140 /nfs/dbraw/zinc/20/21/40/797202140.db2.gz FVJALPSIBMZCRP-YVSFHVDLSA-N 2 0 348.491 2.162 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012499 797226354 /nfs/dbraw/zinc/22/63/54/797226354.db2.gz UXZZEFZPAPGBGU-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC000994141822 797357017 /nfs/dbraw/zinc/35/70/17/797357017.db2.gz ADWHJGYFSJOBDY-APWZRJJASA-N 2 0 336.439 2.478 20 30 EEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](OC)C1 ZINC001082319655 797447040 /nfs/dbraw/zinc/44/70/40/797447040.db2.gz DHPUQRVHMKUSMP-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001082724104 797664493 /nfs/dbraw/zinc/66/44/93/797664493.db2.gz GSEDOOAHWHMVDA-ATZDWAIDSA-N 2 0 342.487 2.081 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176317859 798429325 /nfs/dbraw/zinc/42/93/25/798429325.db2.gz HPAKVUPCFQJFHK-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176758422 798570876 /nfs/dbraw/zinc/57/08/76/798570876.db2.gz BKDOOZRVIBGMTE-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176844219 798587386 /nfs/dbraw/zinc/58/73/86/798587386.db2.gz GOAOUAPFFBZLEU-GASCZTMLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001176971763 798666155 /nfs/dbraw/zinc/66/61/55/798666155.db2.gz HRQSMVAGBLVSHY-UHFFFAOYSA-N 2 0 335.879 2.128 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177415595 798932786 /nfs/dbraw/zinc/93/27/86/798932786.db2.gz DZXHZDVQHIWODT-SFHVURJKSA-N 2 0 333.520 2.350 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178536048 799512936 /nfs/dbraw/zinc/51/29/36/799512936.db2.gz OKFMDIQHZWRHQK-MSOLQXFVSA-N 2 0 337.508 2.082 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001179856863 800134272 /nfs/dbraw/zinc/13/42/72/800134272.db2.gz LWWBFZNDVVTQIW-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001181476169 800812486 /nfs/dbraw/zinc/81/24/86/800812486.db2.gz GOTZAVIAPKXVFP-RPVQJOFSSA-N 2 0 339.911 2.155 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004619034 802496122 /nfs/dbraw/zinc/49/61/22/802496122.db2.gz JPKIYNGMKXWOLV-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP N#Cc1ncncc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170528182 812270256 /nfs/dbraw/zinc/27/02/56/812270256.db2.gz JXBPKJXDRQRDCL-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131700927 813131944 /nfs/dbraw/zinc/13/19/44/813131944.db2.gz LLMWVXRMBXVCEO-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001437309846 1089467765 /nfs/dbraw/zinc/46/77/65/1089467765.db2.gz IKSPJVBHVXHVBE-GOSISDBHSA-N 2 0 349.906 2.352 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001438408160 1090895597 /nfs/dbraw/zinc/89/55/97/1090895597.db2.gz ZSRLKBPYNRSDFF-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001439779636 1092735263 /nfs/dbraw/zinc/73/52/63/1092735263.db2.gz YRTCQYKFSUYQOI-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001449023599 1094029598 /nfs/dbraw/zinc/02/95/98/1094029598.db2.gz WRKQLHXJRSVSNE-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001444443593 1099081795 /nfs/dbraw/zinc/08/17/95/1099081795.db2.gz OODWWUIRSODCGA-ZDUSSCGKSA-N 2 0 346.313 2.113 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001496479449 1101071367 /nfs/dbraw/zinc/07/13/67/1101071367.db2.gz BOQWALLXQJGRGW-CZUORRHYSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001496906512 1101700709 /nfs/dbraw/zinc/70/07/09/1101700709.db2.gz CWNQERMQUMQAFI-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP CCCC[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001448244606 1104236387 /nfs/dbraw/zinc/23/63/87/1104236387.db2.gz GKLFXDBZXLYSFM-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001507329851 1115195381 /nfs/dbraw/zinc/19/53/81/1115195381.db2.gz WYURFPBJWRWUBP-KBPBESRZSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000491700955 533106447 /nfs/dbraw/zinc/10/64/47/533106447.db2.gz DOEVPXSDDWKUSQ-UHFFFAOYSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000122400782 222079083 /nfs/dbraw/zinc/07/90/83/222079083.db2.gz VZSXCQRAHFRKMD-UHFFFAOYSA-N 2 0 343.471 2.048 20 30 EEEDRP C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000337177220 465229992 /nfs/dbraw/zinc/22/99/92/465229992.db2.gz JHMOVFIWZGARKD-MOPGFXCFSA-N 2 0 348.535 2.045 20 30 EEEDRP CN(CC[N@H+](C)CCCC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC000337187496 465234553 /nfs/dbraw/zinc/23/45/53/465234553.db2.gz QDJGRYRKQLKKLB-UHFFFAOYSA-N 2 0 336.524 2.045 20 30 EEEDRP C=C(C)C[NH+]1CCC(Nc2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000277385925 463914294 /nfs/dbraw/zinc/91/42/94/463914294.db2.gz IQLUPXZTGDQVDT-KRWDZBQOSA-N 2 0 345.491 2.280 20 30 EEEDRP C[NH+]=C(NCCc1cc2ccccc2o1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262674069 464038432 /nfs/dbraw/zinc/03/84/32/464038432.db2.gz QLJVEFCOEFFSPF-KRWDZBQOSA-N 2 0 338.455 2.497 20 30 EEEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262788413 464047277 /nfs/dbraw/zinc/04/72/77/464047277.db2.gz NGCINIKTFBCIOT-AWEZNQCLSA-N 2 0 347.532 2.462 20 30 EEEDRP C[NH+](C)CCCOc1cnccc1CNC(=[NH2+])Nc1ccccc1 ZINC000288753750 464056999 /nfs/dbraw/zinc/05/69/99/464056999.db2.gz RGEGNZVBHCPEOD-UHFFFAOYSA-N 2 0 327.432 2.339 20 30 EEEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000591022976 468395824 /nfs/dbraw/zinc/39/58/24/468395824.db2.gz NGGSELYNYGVDCO-HNNXBMFYSA-N 2 0 328.460 2.198 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)nc1 ZINC000264110651 464283895 /nfs/dbraw/zinc/28/38/95/464283895.db2.gz QSLKUMGKFYBGQZ-MRXNPFEDSA-N 2 0 345.491 2.292 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304648828 466307511 /nfs/dbraw/zinc/30/75/11/466307511.db2.gz XQWNSXLXGMAGRU-GDBMZVCRSA-N 2 0 338.521 2.462 20 30 EEEDRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373977 466732567 /nfs/dbraw/zinc/73/25/67/466732567.db2.gz CAJAOBKTXPUZGR-HOTGVXAUSA-N 2 0 340.393 2.435 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000417057946 466766561 /nfs/dbraw/zinc/76/65/61/466766561.db2.gz CTLGLYLPKDOITO-FGTMMUONSA-N 2 0 336.524 2.372 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417535549 466879275 /nfs/dbraw/zinc/87/92/75/466879275.db2.gz WTNIOQORUYEMMW-SJLPKXTDSA-N 2 0 334.508 2.201 20 30 EEEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000378150554 467212138 /nfs/dbraw/zinc/21/21/38/467212138.db2.gz LYYCQNSBODZZRD-HXUWFJFHSA-N 2 0 343.471 2.026 20 30 EEEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000528399558 467681234 /nfs/dbraw/zinc/68/12/34/467681234.db2.gz WROQSAKYXMMWDL-SCTDSRPQSA-N 2 0 349.519 2.252 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000490739459 468244218 /nfs/dbraw/zinc/24/42/18/468244218.db2.gz DRMYDXLZJUUQPD-GOSISDBHSA-N 2 0 347.890 2.404 20 30 EEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000592470852 468705440 /nfs/dbraw/zinc/70/54/40/468705440.db2.gz MXXDTZRMUAFJQY-BMFAXAFESA-N 2 0 338.455 2.031 20 30 EEEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503703 468879525 /nfs/dbraw/zinc/87/95/25/468879525.db2.gz AOAAYADPAMQCIB-LJQANCHMSA-N 2 0 326.444 2.305 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000728711696 576520490 /nfs/dbraw/zinc/52/04/90/576520490.db2.gz NYFQQVKZHXEJAD-KRWDZBQOSA-N 2 0 330.476 2.095 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(C)C)CC1 ZINC000969156624 674648516 /nfs/dbraw/zinc/64/85/16/674648516.db2.gz YKDDWVILLYGAHP-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1 ZINC001020801393 675501099 /nfs/dbraw/zinc/50/10/99/675501099.db2.gz ATTVANBSOUXHAW-WGSAOQKQSA-N 2 0 340.471 2.027 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1 ZINC001020818608 675514244 /nfs/dbraw/zinc/51/42/44/675514244.db2.gz UYTILVMEHVPZQV-WGSAOQKQSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001021095868 675728683 /nfs/dbraw/zinc/72/86/83/675728683.db2.gz ATKPOWBROWUSBQ-MGPQQGTHSA-N 2 0 344.297 2.006 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972401501 678686097 /nfs/dbraw/zinc/68/60/97/678686097.db2.gz CBXWLRJUKVYCKT-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC001023127712 679135665 /nfs/dbraw/zinc/13/56/65/679135665.db2.gz AYUWTDPDROJVOL-PKOFMYQESA-N 2 0 343.515 2.005 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001023761820 679567667 /nfs/dbraw/zinc/56/76/67/679567667.db2.gz JXBFHUZHZVJMIO-SFHVURJKSA-N 2 0 331.504 2.126 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024478536 679951387 /nfs/dbraw/zinc/95/13/87/679951387.db2.gz SPRVEURRMPQDSJ-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681305 681809779 /nfs/dbraw/zinc/80/97/79/681809779.db2.gz UFTCOPOBEIBDHO-INIZCTEOSA-N 2 0 339.443 2.285 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709961 681947138 /nfs/dbraw/zinc/94/71/38/681947138.db2.gz GLJOXDMJIOQWNL-KRWDZBQOSA-N 2 0 329.488 2.419 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755572 682109669 /nfs/dbraw/zinc/10/96/69/682109669.db2.gz QISJQUDCSQYPIG-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247146 682316283 /nfs/dbraw/zinc/31/62/83/682316283.db2.gz IRWNMRFCCCMJNS-RTBURBONSA-N 2 0 336.439 2.427 20 30 EEEDRP C[NH+]1CCN(CCC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000237138867 682651820 /nfs/dbraw/zinc/65/18/20/682651820.db2.gz OTICDXNFTFMGEX-UHFFFAOYSA-N 2 0 330.476 2.096 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]12 ZINC001026284065 684191181 /nfs/dbraw/zinc/19/11/81/684191181.db2.gz OQFATRHIOHEPPZ-RBSFLKMASA-N 2 0 325.884 2.050 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001026605058 684781726 /nfs/dbraw/zinc/78/17/26/684781726.db2.gz CQAGXOFJMOBVKK-WLYUNCDWSA-N 2 0 346.500 2.088 20 30 EEEDRP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001026606822 684783516 /nfs/dbraw/zinc/78/35/16/684783516.db2.gz XDQJGZQBOXGNTQ-UHFFFAOYSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660820 685170991 /nfs/dbraw/zinc/17/09/91/685170991.db2.gz DONFEMRWVMJCKY-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040108 686063635 /nfs/dbraw/zinc/06/36/35/686063635.db2.gz PCPAIPWKVHNAMS-KXBFYZLASA-N 2 0 337.483 2.049 20 30 EEEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040106 686064375 /nfs/dbraw/zinc/06/43/75/686064375.db2.gz PCPAIPWKVHNAMS-HNAYVOBHSA-N 2 0 337.483 2.049 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2C[C@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262454885 686130694 /nfs/dbraw/zinc/13/06/94/686130694.db2.gz WPUPUVPITJJXJQ-APWZRJJASA-N 2 0 336.524 2.396 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)CC)CC1 ZINC001029596278 686466370 /nfs/dbraw/zinc/46/63/70/686466370.db2.gz HRVZGFRFMOVUOK-YTQUADARSA-N 2 0 331.504 2.053 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000985658241 687412163 /nfs/dbraw/zinc/41/21/63/687412163.db2.gz XDTCGFXMXIWHHF-KRWDZBQOSA-N 2 0 348.516 2.383 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262683144 687930678 /nfs/dbraw/zinc/93/06/78/687930678.db2.gz XEWUDATTYYVSRX-HNNXBMFYSA-N 2 0 332.448 2.449 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC000989829586 692356522 /nfs/dbraw/zinc/35/65/22/692356522.db2.gz UJSRNRMMFSMMNW-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP N#CCCCNC(=O)[C@@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716564 1191977216 /nfs/dbraw/zinc/97/72/16/1191977216.db2.gz HMPAZKGSLWYYIB-SFHVURJKSA-N 2 0 346.519 2.384 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001482141619 1183457670 /nfs/dbraw/zinc/45/76/70/1183457670.db2.gz FPELVXRQWXECIS-OLMNPRSZSA-N 2 0 349.906 2.426 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001271885359 1186578723 /nfs/dbraw/zinc/57/87/23/1186578723.db2.gz OASZWXKALWORET-PMACEKPBSA-N 2 0 341.499 2.253 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC001088430407 1186867643 /nfs/dbraw/zinc/86/76/43/1186867643.db2.gz OTFGXJZVZJSGOA-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544160 1188157279 /nfs/dbraw/zinc/15/72/79/1188157279.db2.gz CDWUBUXMZRQHEN-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168329760 1188296983 /nfs/dbraw/zinc/29/69/83/1188296983.db2.gz HDCNEZDOUSFOIH-UHFFFAOYSA-N 3 0 334.552 2.151 20 30 EEEDRP C[NH+]1CCC(CC[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273039095 1194344050 /nfs/dbraw/zinc/34/40/50/1194344050.db2.gz NGDWYYKKACMHQA-GOSISDBHSA-N 2 0 346.519 2.240 20 30 EEEDRP C#CCN1CC2(CCC1=O)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039787 1194344359 /nfs/dbraw/zinc/34/43/59/1194344359.db2.gz VLFGQUITBCOIDV-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001034045467 1195696673 /nfs/dbraw/zinc/69/66/73/1195696673.db2.gz JHSOXBXYKLJCKD-PKOBYXMFSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001034046985 1195699569 /nfs/dbraw/zinc/69/95/69/1195699569.db2.gz WYBOXENXYYYJAW-MSOLQXFVSA-N 2 0 337.483 2.003 20 30 EEEDRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001034959649 1196921153 /nfs/dbraw/zinc/92/11/53/1196921153.db2.gz FKOUXRFUAWIJGS-PBHICJAKSA-N 2 0 346.500 2.041 20 30 EEEDRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000873293314 1198552959 /nfs/dbraw/zinc/55/29/59/1198552959.db2.gz ZAMPRDQBVWSSEV-MAUKXSAKSA-N 2 0 329.444 2.398 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000813681055 1199143027 /nfs/dbraw/zinc/14/30/27/1199143027.db2.gz VJFZDAQCVLTXGH-GOSISDBHSA-N 2 0 333.476 2.311 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309971 1199559960 /nfs/dbraw/zinc/55/99/60/1199559960.db2.gz HIWHEVGOIWDEPE-SJORKVTESA-N 2 0 339.524 2.136 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001134763322 1199798734 /nfs/dbraw/zinc/79/87/34/1199798734.db2.gz UWEXBALOLLIJKC-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937195 1200212196 /nfs/dbraw/zinc/21/21/96/1200212196.db2.gz IIBYBCXUBJNKFB-RDJZCZTQSA-N 2 0 338.455 2.354 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941873 1200218206 /nfs/dbraw/zinc/21/82/06/1200218206.db2.gz RNFOEFNRMMKJIL-SJORKVTESA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001133016004 1200314043 /nfs/dbraw/zinc/31/40/43/1200314043.db2.gz KKZVODQDNSBOGI-MJGOQNOKSA-N 2 0 341.499 2.112 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064311 1200386964 /nfs/dbraw/zinc/38/69/64/1200386964.db2.gz LYHHBDMXKKCWEZ-WBVHZDCISA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165338 1200537909 /nfs/dbraw/zinc/53/79/09/1200537909.db2.gz FLUQNKZAWKEMEK-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133249677 1200640704 /nfs/dbraw/zinc/64/07/04/1200640704.db2.gz IVHLMUUXCRVGLW-HOTGVXAUSA-N 2 0 330.476 2.412 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342885 1200767633 /nfs/dbraw/zinc/76/76/33/1200767633.db2.gz UAKVNUVIVMWIHW-HKUYNNGSSA-N 2 0 341.499 2.459 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000104177033 1204612633 /nfs/dbraw/zinc/61/26/33/1204612633.db2.gz WSKGHNVRNWVZHJ-AEFFLSMTSA-N 2 0 332.492 2.399 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000949379024 1209657990 /nfs/dbraw/zinc/65/79/90/1209657990.db2.gz KFEXIZREFLMNTF-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP CCN1CC[NH+](CCCC[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000303867712 1213916021 /nfs/dbraw/zinc/91/60/21/1213916021.db2.gz AEDFECCDFVUANA-UHFFFAOYSA-N 2 0 345.535 2.112 20 30 EEEDRP C[NH+]=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CC1 ZINC000303990549 1213935612 /nfs/dbraw/zinc/93/56/12/1213935612.db2.gz LEPJMVNOPPUSAI-UHFFFAOYSA-N 2 0 349.910 2.180 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249750350 1215186570 /nfs/dbraw/zinc/18/65/70/1215186570.db2.gz GMAMOMBHQIVLQA-FGTMMUONSA-N 2 0 341.499 2.392 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957551974 1215204083 /nfs/dbraw/zinc/20/40/83/1215204083.db2.gz CJVUWWGTAIJKDD-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559905 1215210432 /nfs/dbraw/zinc/21/04/32/1215210432.db2.gz PVCWINCRTJBLQY-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](CC)CC3CC3)CC2)CC1 ZINC000957777917 1215422112 /nfs/dbraw/zinc/42/21/12/1215422112.db2.gz CRAZVYTWUFWQFC-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C[NH+]1CCC(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000304501680 1216056588 /nfs/dbraw/zinc/05/65/88/1216056588.db2.gz PNAUCRDHEVWCKX-UHFFFAOYSA-N 2 0 344.381 2.331 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373625 1217162907 /nfs/dbraw/zinc/16/29/07/1217162907.db2.gz IGPAJGARYSCTIF-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961764358 1217317304 /nfs/dbraw/zinc/31/73/04/1217317304.db2.gz NIWDGLPEYJOZOJ-MKSNKDDYSA-N 2 0 337.483 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=C)C)[C@H](CC)C2)CC1 ZINC001037986267 1220919312 /nfs/dbraw/zinc/91/93/12/1220919312.db2.gz ZTORJCWNMMOYEH-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664404 1226749901 /nfs/dbraw/zinc/74/99/01/1226749901.db2.gz XBXOETSWBGAXTG-QZTJIDSGSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145849 1229509955 /nfs/dbraw/zinc/50/99/55/1229509955.db2.gz RHNUQYYNXFBRMF-IHRRRGAJSA-N 2 0 344.297 2.005 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020250998 1229583286 /nfs/dbraw/zinc/58/32/86/1229583286.db2.gz ZPKWHGMXLTXLQJ-JPLJXNOCSA-N 2 0 339.483 2.390 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153282 1230372241 /nfs/dbraw/zinc/37/22/41/1230372241.db2.gz UWNUDHYOUMXMSW-IHPCNDPISA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239780 1230473694 /nfs/dbraw/zinc/47/36/94/1230473694.db2.gz SGZOSDDJBKEUPI-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473710 1230637402 /nfs/dbraw/zinc/63/74/02/1230637402.db2.gz YWFUWZSGUILOBL-MOPGFXCFSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209968 1231105432 /nfs/dbraw/zinc/10/54/32/1231105432.db2.gz MRVPCHFNKJRXSF-NLWGTHIKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040639050 1231323864 /nfs/dbraw/zinc/32/38/64/1231323864.db2.gz XGHBXMDHSUMPGU-OAHLLOKOSA-N 2 0 325.884 2.148 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505619 1231571031 /nfs/dbraw/zinc/57/10/31/1231571031.db2.gz LBBSQIWPDKWZHN-QUCCMNQESA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586074 1231609786 /nfs/dbraw/zinc/60/97/86/1231609786.db2.gz HVXYJRQDEPNMLT-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726308 1231663685 /nfs/dbraw/zinc/66/36/85/1231663685.db2.gz VFWVJFGOJHCNSM-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743009 1231671017 /nfs/dbraw/zinc/67/10/17/1231671017.db2.gz ICGPSXNCYLOVJA-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124442 1231905287 /nfs/dbraw/zinc/90/52/87/1231905287.db2.gz GGRCEWHGOUZEGS-WMZOPIPTSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045953325 1234220915 /nfs/dbraw/zinc/22/09/15/1234220915.db2.gz YEGJBVBXSUYTDB-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961551 1234237969 /nfs/dbraw/zinc/23/79/69/1234237969.db2.gz QYYQAYOFHCCRQE-IRFCIJBXSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045985636 1234280182 /nfs/dbraw/zinc/28/01/82/1234280182.db2.gz YRWICDGWBPETEM-WMZOPIPTSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240571 1235726860 /nfs/dbraw/zinc/72/68/60/1235726860.db2.gz GJRQHIIHXYGXDH-SLFFLAALSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047243641 1235734404 /nfs/dbraw/zinc/73/44/04/1235734404.db2.gz MIHAHGHZHAKCMS-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263495 1235773255 /nfs/dbraw/zinc/77/32/55/1235773255.db2.gz HOOBPVXEAYBVIW-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001048565161 1237975734 /nfs/dbraw/zinc/97/57/34/1237975734.db2.gz KWRCBJGLFQVFTK-ZHCJQAHYSA-N 2 0 328.460 2.069 20 30 EEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048584983 1238028495 /nfs/dbraw/zinc/02/84/95/1238028495.db2.gz HNTMSEZWPNOMNI-DMUMMCEESA-N 2 0 331.504 2.408 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195681 1240051747 /nfs/dbraw/zinc/05/17/47/1240051747.db2.gz ZHQNANXYVOYUBT-CABCVRRESA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290761 1240136373 /nfs/dbraw/zinc/13/63/73/1240136373.db2.gz WDCHEOWEFSUCDH-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001049554918 1241394103 /nfs/dbraw/zinc/39/41/03/1241394103.db2.gz ILGWTIZUNUIBIU-NZSAHSFTSA-N 2 0 342.487 2.477 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049666225 1241818311 /nfs/dbraw/zinc/81/83/11/1241818311.db2.gz XTKRHFZXJPIQGL-GUDVDZBRSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050546948 1243822941 /nfs/dbraw/zinc/82/29/41/1243822941.db2.gz VHCWFEQUMXXOBI-OAHLLOKOSA-N 2 0 325.884 2.004 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cccc2C1 ZINC001051299466 1245499625 /nfs/dbraw/zinc/49/96/25/1245499625.db2.gz LOKHPTZQSUTWMF-OXQOHEQNSA-N 2 0 341.499 2.435 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054181849 1247636613 /nfs/dbraw/zinc/63/66/13/1247636613.db2.gz AFHBGVMVEAASDJ-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001054198227 1247691410 /nfs/dbraw/zinc/69/14/10/1247691410.db2.gz SOBQVCBLZKHOJZ-PMACEKPBSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054207988 1247721475 /nfs/dbraw/zinc/72/14/75/1247721475.db2.gz CMLWKYHPOSQZQC-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCC)C3)C2)CC1 ZINC001054245293 1247859828 /nfs/dbraw/zinc/85/98/28/1247859828.db2.gz QSCHNQPIWYBMKG-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281551 1247998580 /nfs/dbraw/zinc/99/85/80/1247998580.db2.gz PPMXXILLUDRGEN-KXBFYZLASA-N 2 0 327.472 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCC2)C3)CC1 ZINC001099174675 1257994238 /nfs/dbraw/zinc/99/42/38/1257994238.db2.gz ZZXOLGUCUKJECG-FPOVZHCZSA-N 2 0 343.515 2.102 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099552893 1258201195 /nfs/dbraw/zinc/20/11/95/1258201195.db2.gz QBZJNOUJPCANSU-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC2(CCOCC2)C1 ZINC001099582874 1258226615 /nfs/dbraw/zinc/22/66/15/1258226615.db2.gz DEZPFJNHCBJUOY-QGZVFWFLSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001100769428 1259238186 /nfs/dbraw/zinc/23/81/86/1259238186.db2.gz JJLAYKLYXLVVEO-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C[C@@H]1C ZINC001185789887 1278782698 /nfs/dbraw/zinc/78/26/98/1278782698.db2.gz WFPGBPGBPMHUIZ-AZUAARDMSA-N 2 0 341.499 2.216 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773978 1278018646 /nfs/dbraw/zinc/01/86/46/1278018646.db2.gz SNZZBWJNYXVSFY-OLZOCXBDSA-N 2 0 348.329 2.498 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823493 1283857103 /nfs/dbraw/zinc/85/71/03/1283857103.db2.gz KVTIYKONLCSLIP-ROUUACIJSA-N 2 0 331.504 2.293 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902602 1285402556 /nfs/dbraw/zinc/40/25/56/1285402556.db2.gz MPFBELLXASNIBR-SJORKVTESA-N 2 0 333.476 2.358 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001071059871 1286742498 /nfs/dbraw/zinc/74/24/98/1286742498.db2.gz GGGGBWNHBGXJJF-QYZOEREBSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593179 1296102457 /nfs/dbraw/zinc/10/24/57/1296102457.db2.gz OAHCAZLSNNJIOH-KZNAEPCWSA-N 2 0 339.524 2.134 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001216837342 1297310033 /nfs/dbraw/zinc/31/00/33/1297310033.db2.gz BTSDBBXVWJQLSH-SJLPKXTDSA-N 2 0 333.520 2.204 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ncc[nH]3)[C@H]2C1 ZINC001217729755 1297498743 /nfs/dbraw/zinc/49/87/43/1297498743.db2.gz IKMKPXWOVXUOPA-DLBZAZTESA-N 2 0 348.491 2.224 20 30 EEEDRP C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218553775 1297710413 /nfs/dbraw/zinc/71/04/13/1297710413.db2.gz SMXTWUUTGSMQNO-OAHLLOKOSA-N 2 0 340.452 2.035 20 30 EEEDRP CCc1cc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc(CC)c1C#N ZINC001219112349 1297930747 /nfs/dbraw/zinc/93/07/47/1297930747.db2.gz DURWMQZENRWODI-SFHVURJKSA-N 2 0 340.471 2.496 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899548 1299473322 /nfs/dbraw/zinc/47/33/22/1299473322.db2.gz VHLWFEJKMLUSRB-SJORKVTESA-N 2 0 341.540 2.239 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001224904691 1300776148 /nfs/dbraw/zinc/77/61/48/1300776148.db2.gz UYZXGQSWHFRALU-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001228367011 1302228189 /nfs/dbraw/zinc/22/81/89/1302228189.db2.gz ZEFGVUGIZBTXPF-QZTJIDSGSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536810 1303084724 /nfs/dbraw/zinc/08/47/24/1303084724.db2.gz DEVBIYMKTUTPGJ-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230574314 1303287378 /nfs/dbraw/zinc/28/73/78/1303287378.db2.gz BCVLLRKXLZDFQT-SFHVURJKSA-N 2 0 333.520 2.443 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1cccnc1 ZINC001230777720 1303449999 /nfs/dbraw/zinc/44/99/99/1303449999.db2.gz CUMPSZRMEWBPBR-UHFFFAOYSA-N 2 0 344.503 2.450 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC001111861643 1304017652 /nfs/dbraw/zinc/01/76/52/1304017652.db2.gz XAIPUMPPUVUIQH-KSSFIOAISA-N 2 0 346.500 2.042 20 30 EEEDRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4CC#N)C[C@@H]3C2)cn1 ZINC001235515092 1305261230 /nfs/dbraw/zinc/26/12/30/1305261230.db2.gz UBALRLBTRUAHMZ-RTWAWAEBSA-N 2 0 349.482 2.440 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)(C)CO)cc1C#N ZINC001277968528 1305389719 /nfs/dbraw/zinc/38/97/19/1305389719.db2.gz USPMADMEKOFUGQ-ALOPSCKCSA-N 2 0 330.476 2.000 20 30 EEEDRP C=CCOc1ccccc1C[N@@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001237430205 1305929499 /nfs/dbraw/zinc/92/94/99/1305929499.db2.gz KLJUVMHSXPLAFJ-KRWDZBQOSA-N 2 0 344.455 2.226 20 30 EEEDRP C=CCCCCCC[C@@H](O)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246060960 1310227590 /nfs/dbraw/zinc/22/75/90/1310227590.db2.gz WDDDYWFQIVTCDB-RTBURBONSA-N 2 0 325.541 2.490 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001162996848 1321008297 /nfs/dbraw/zinc/00/82/97/1321008297.db2.gz CQZYCIWPMQSOQJ-LJQANCHMSA-N 2 0 329.488 2.175 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150395676 1316257082 /nfs/dbraw/zinc/25/70/82/1316257082.db2.gz WELAPBKLFQPBAB-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606583 1316313485 /nfs/dbraw/zinc/31/34/85/1316313485.db2.gz HGOPTFXURNTHRE-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386199 1316664600 /nfs/dbraw/zinc/66/46/00/1316664600.db2.gz DACXGCAHDRZCOM-VQIMIIECSA-N 2 0 345.462 2.098 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394425 1317578311 /nfs/dbraw/zinc/57/83/11/1317578311.db2.gz MEGCQLLIAAQWDJ-RLLQIKCJSA-N 2 0 341.499 2.182 20 30 EEEDRP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576955 1317885284 /nfs/dbraw/zinc/88/52/84/1317885284.db2.gz JDIHHBIFTIOZJA-CVEARBPZSA-N 2 0 336.501 2.350 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)Cc2ccncc2)CC1 ZINC001256753191 1318851456 /nfs/dbraw/zinc/85/14/56/1318851456.db2.gz HLIYOMLCYDGFOX-LJQANCHMSA-N 2 0 328.504 2.304 20 30 EEEDRP CN(C)C(=O)C1CC[NH+](C2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256967688 1318905906 /nfs/dbraw/zinc/90/59/06/1318905906.db2.gz HIAMTPYVNUNWDH-UHFFFAOYSA-N 2 0 346.519 2.333 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290133 1319146763 /nfs/dbraw/zinc/14/67/63/1319146763.db2.gz YTUFAJPOMPPOSQ-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP N#Cc1cc(Nc2cccc3c2CC[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001159742469 1319976544 /nfs/dbraw/zinc/97/65/44/1319976544.db2.gz CFZIVMKXAYALNB-UHFFFAOYSA-N 2 0 333.439 2.357 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001159839232 1320002438 /nfs/dbraw/zinc/00/24/38/1320002438.db2.gz VHIVFMVNUPAKDT-FQEVSTJZSA-N 2 0 341.499 2.112 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001160267720 1320117072 /nfs/dbraw/zinc/11/70/72/1320117072.db2.gz QOCUEWGQPWKZSV-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001162617365 1320912586 /nfs/dbraw/zinc/91/25/86/1320912586.db2.gz HYNKQKCWTONUNQ-UHFFFAOYSA-N 2 0 332.407 2.096 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH2+]CC)CCc2ccccc2)CC1 ZINC001163001720 1321010256 /nfs/dbraw/zinc/01/02/56/1321010256.db2.gz MIFCMDYEZZILDS-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001166677600 1321763338 /nfs/dbraw/zinc/76/33/38/1321763338.db2.gz KQLFQXSTQIKSLB-MRXNPFEDSA-N 2 0 347.890 2.129 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001166758050 1321782718 /nfs/dbraw/zinc/78/27/18/1321782718.db2.gz AYUGERCPHWMHOB-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203739928 1321951522 /nfs/dbraw/zinc/95/15/22/1321951522.db2.gz AHEGIVZFOMVYKP-QZTJIDSGSA-N 2 0 331.504 2.293 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205429584 1323128376 /nfs/dbraw/zinc/12/83/76/1323128376.db2.gz UZWBOKSLJAPVBO-ZWKOTPCHSA-N 2 0 333.451 2.238 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205752212 1323285423 /nfs/dbraw/zinc/28/54/23/1323285423.db2.gz XPHRQCNCIUVOSX-QGZVFWFLSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206301801 1323449630 /nfs/dbraw/zinc/44/96/30/1323449630.db2.gz RIXYJHASOFDQQP-AWEZNQCLSA-N 2 0 346.313 2.063 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865200 1323641976 /nfs/dbraw/zinc/64/19/76/1323641976.db2.gz BUSIENUIFNYAGX-OAQYLSRUSA-N 2 0 341.499 2.315 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206890505 1323674020 /nfs/dbraw/zinc/67/40/20/1323674020.db2.gz VHEROSOGGVZUNX-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP COc1cc(C#N)ccc1OC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207439597 1323973075 /nfs/dbraw/zinc/97/30/75/1323973075.db2.gz URVBKYYQTVZYHH-UHFFFAOYSA-N 2 0 329.444 2.410 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208720101 1324638631 /nfs/dbraw/zinc/63/86/31/1324638631.db2.gz ZSZVEZALMHFCIE-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001209278621 1324881206 /nfs/dbraw/zinc/88/12/06/1324881206.db2.gz QAQFTCNIGWTARY-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001209419593 1324929419 /nfs/dbraw/zinc/92/94/19/1324929419.db2.gz OKUHVKKNADLXEO-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209642142 1324997985 /nfs/dbraw/zinc/99/79/85/1324997985.db2.gz MLUXNVBLWLWLHP-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952966 1325108427 /nfs/dbraw/zinc/10/84/27/1325108427.db2.gz RRVISFMJQIDYGW-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001210750817 1325414749 /nfs/dbraw/zinc/41/47/49/1325414749.db2.gz MCEAQCGACODFRI-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317263848 1332157665 /nfs/dbraw/zinc/15/76/65/1332157665.db2.gz FPJVLYHWRFLCJG-MAUKXSAKSA-N 2 0 349.906 2.372 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001647559979 1353326047 /nfs/dbraw/zinc/32/60/47/1353326047.db2.gz POLYTWFVCNPVRF-OALUTQOASA-N 2 0 343.471 2.010 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001666652274 1355559935 /nfs/dbraw/zinc/55/99/35/1355559935.db2.gz OZUSRWAXAZXRAF-MAUKXSAKSA-N 2 0 349.906 2.374 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001389350460 1388066057 /nfs/dbraw/zinc/06/60/57/1388066057.db2.gz PLKGIIGJVQQYEN-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265421 1370995189 /nfs/dbraw/zinc/99/51/89/1370995189.db2.gz IYEOUPINDIPFNT-BFHYXJOUSA-N 2 0 333.398 2.026 20 30 EEEDRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001367147947 1374106553 /nfs/dbraw/zinc/10/65/53/1374106553.db2.gz FSRZRWSVOXFQQB-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001379186525 1380624425 /nfs/dbraw/zinc/62/44/25/1380624425.db2.gz ZQQWLYRXMLLXKZ-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001379869032 1380923592 /nfs/dbraw/zinc/92/35/92/1380923592.db2.gz GLJXMMOIPOQJAD-MRXNPFEDSA-N 2 0 332.835 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001379936482 1380950749 /nfs/dbraw/zinc/95/07/49/1380950749.db2.gz YJPQOKDDDSXITJ-INIZCTEOSA-N 2 0 327.900 2.344 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358813 1382085682 /nfs/dbraw/zinc/08/56/82/1382085682.db2.gz URIJCOMIVUPHLG-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001393629770 1390501599 /nfs/dbraw/zinc/50/15/99/1390501599.db2.gz INFYIOOPVLHRKJ-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001394709599 1390743086 /nfs/dbraw/zinc/74/30/86/1390743086.db2.gz STQQDHMJQATTSW-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001399904506 1395625954 /nfs/dbraw/zinc/62/59/54/1395625954.db2.gz OIVWBLSYZTWPTA-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001400178106 1396013227 /nfs/dbraw/zinc/01/32/27/1396013227.db2.gz ABKCYBZFJSJSON-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001401285747 1397120097 /nfs/dbraw/zinc/12/00/97/1397120097.db2.gz AVDDZKXTCCECTH-JSGCOSHPSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C)[NH+](C)C ZINC001401339643 1397172233 /nfs/dbraw/zinc/17/22/33/1397172233.db2.gz BZHSERKJGLRRFV-MSOLQXFVSA-N 2 0 348.466 2.268 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001402581274 1398071745 /nfs/dbraw/zinc/07/17/45/1398071745.db2.gz WVGDMMYCQATOSR-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001755118622 1407129468 /nfs/dbraw/zinc/12/94/68/1407129468.db2.gz JKXYSJYAEZGHGI-WMLDXEAASA-N 2 0 348.516 2.288 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC001574970138 1403529580 /nfs/dbraw/zinc/52/95/80/1403529580.db2.gz QGGYBYWHEXBPNG-HNNXBMFYSA-N 2 0 341.459 2.057 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001574969387 1403529622 /nfs/dbraw/zinc/52/96/22/1403529622.db2.gz HIPVPXUXIRVZCP-QGZVFWFLSA-N 2 0 342.487 2.144 20 30 EEEDRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1)CC[NH2+]CC2 ZINC001576638029 1403594830 /nfs/dbraw/zinc/59/48/30/1403594830.db2.gz MTWZLHSTOZAOJL-HNNXBMFYSA-N 2 0 326.444 2.351 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755749436 1407807553 /nfs/dbraw/zinc/80/75/53/1407807553.db2.gz JDEVLRCPDAGGSU-VQIMIIECSA-N 2 0 327.472 2.260 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755852301 1407905274 /nfs/dbraw/zinc/90/52/74/1407905274.db2.gz RJNHQFFOFUMUNY-KGLIPLIRSA-N 2 0 335.414 2.273 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121923936 1410252587 /nfs/dbraw/zinc/25/25/87/1410252587.db2.gz HFBYEYIWXRPQPI-QAELIBMJSA-N 2 0 333.520 2.393 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038702 1410514975 /nfs/dbraw/zinc/51/49/75/1410514975.db2.gz LTCHHBRXWSGISP-ZWKOTPCHSA-N 2 0 339.524 2.016 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100677034 1410694466 /nfs/dbraw/zinc/69/44/66/1410694466.db2.gz WSVZTDXYGDJKEY-NFOMZHRRSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167236899 757548165 /nfs/dbraw/zinc/54/81/65/757548165.db2.gz RRIKCIPAIMDXBM-UHFFFAOYSA-N 2 0 327.900 2.347 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001075410489 759377402 /nfs/dbraw/zinc/37/74/02/759377402.db2.gz CODAWNQOIOWLBA-QUCCMNQESA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461691 760936465 /nfs/dbraw/zinc/93/64/65/760936465.db2.gz OPLRYBMWEPMGHA-SFHVURJKSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782759 765539142 /nfs/dbraw/zinc/53/91/42/765539142.db2.gz WYTDPHIMGVOYGW-NSHGMRRFSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089511362 770029337 /nfs/dbraw/zinc/02/93/37/770029337.db2.gz RKGHZXNSKGDMDA-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397019 783008632 /nfs/dbraw/zinc/00/86/32/783008632.db2.gz VWLNENQSJBGHRF-HBFSDRIKSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138971 773928266 /nfs/dbraw/zinc/92/82/66/773928266.db2.gz IEOLWAZQURGSTR-KSZLIROESA-N 2 0 336.439 2.188 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980165984 773991007 /nfs/dbraw/zinc/99/10/07/773991007.db2.gz VTDJZLQNZQIPSA-XIRDDKMYSA-N 2 0 331.460 2.358 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656557 774021050 /nfs/dbraw/zinc/02/10/50/774021050.db2.gz JSGNXEQMWSTIMY-QGZVFWFLSA-N 2 0 331.504 2.102 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297862 775388203 /nfs/dbraw/zinc/38/82/03/775388203.db2.gz NMDSYIKTVVFNPM-BRSBDYLESA-N 2 0 339.524 2.112 20 30 EEEDRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[NH+]1CCCC1 ZINC000980800267 775628499 /nfs/dbraw/zinc/62/84/99/775628499.db2.gz OOMNWSWIRNZGIM-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981959048 778665390 /nfs/dbraw/zinc/66/53/90/778665390.db2.gz WWCRDIXMXZEXCI-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC[C@@H](C)F)C3)CC1 ZINC000982162291 779180841 /nfs/dbraw/zinc/18/08/41/779180841.db2.gz MIVWEYWOMBPFSC-QGZVFWFLSA-N 2 0 349.494 2.004 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160042 781670802 /nfs/dbraw/zinc/67/08/02/781670802.db2.gz OYHPRZJBNKJYKG-MGPQQGTHSA-N 2 0 335.414 2.272 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001088862765 790923193 /nfs/dbraw/zinc/92/31/93/790923193.db2.gz RZOPPVQQKUJTRK-ZBFHGGJFSA-N 2 0 332.448 2.039 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215809 784139953 /nfs/dbraw/zinc/13/99/53/784139953.db2.gz NOIKZKMERFEVQD-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974407 784920338 /nfs/dbraw/zinc/92/03/38/784920338.db2.gz ORZXYMZITPZJOD-KBPBESRZSA-N 2 0 348.329 2.500 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976827 784926733 /nfs/dbraw/zinc/92/67/33/784926733.db2.gz OEYPMJOFEQCANC-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CSc1nc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)c(-c2ccc(C)cc2)n1 ZINC001170899526 785239573 /nfs/dbraw/zinc/23/95/73/785239573.db2.gz VJVPZHPUKAEEDI-CQSZACIVSA-N 2 0 342.472 2.481 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1(C)C ZINC000996190581 786106268 /nfs/dbraw/zinc/10/62/68/786106268.db2.gz LSPUAVVJEUTYLO-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996312429 786252323 /nfs/dbraw/zinc/25/23/23/786252323.db2.gz ZIDLNLVPPXOKIQ-CQSZACIVSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521244 787502222 /nfs/dbraw/zinc/50/22/22/787502222.db2.gz TZZMASSPRMRFLI-NVXWUHKLSA-N 2 0 339.911 2.442 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816131 788524018 /nfs/dbraw/zinc/52/40/18/788524018.db2.gz AWXJNUNLFXHOHM-HKUYNNGSSA-N 2 0 339.524 2.258 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005985957 789150197 /nfs/dbraw/zinc/15/01/97/789150197.db2.gz IISSKDPZJNRDFM-LJQANCHMSA-N 2 0 337.483 2.145 20 30 EEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001171198815 789938353 /nfs/dbraw/zinc/93/83/53/789938353.db2.gz QSLSPRHXLXMSSC-ATZDWAIDSA-N 2 0 342.487 2.068 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001146336832 791180129 /nfs/dbraw/zinc/18/01/29/791180129.db2.gz BEVXRCPZLXJNGE-UONOGXRCSA-N 2 0 334.489 2.088 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC3CC3)CC2)CC1 ZINC000997874006 791321133 /nfs/dbraw/zinc/32/11/33/791321133.db2.gz IYONUPZGYPRFPR-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)CN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088969076 791779155 /nfs/dbraw/zinc/77/91/55/791779155.db2.gz GBYKHHIWAZRTRX-PBHICJAKSA-N 2 0 339.911 2.440 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000948040395 791889751 /nfs/dbraw/zinc/88/97/51/791889751.db2.gz PJCWTBHPTBTXSU-LSDHHAIUSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000998195852 792201131 /nfs/dbraw/zinc/20/11/31/792201131.db2.gz IDMGTZWDUFROFO-IBGZPJMESA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981752 792356662 /nfs/dbraw/zinc/35/66/62/792356662.db2.gz FLIDNRHRXSRJAS-HKUYNNGSSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086882728 792893596 /nfs/dbraw/zinc/89/35/96/792893596.db2.gz IFWBHENPSFJQSN-ARFHVFGLSA-N 2 0 327.900 2.488 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942630 793034997 /nfs/dbraw/zinc/03/49/97/793034997.db2.gz WZGNYAFUWCPBBZ-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](CC=C)CC3)CC1 ZINC001086958015 793102717 /nfs/dbraw/zinc/10/27/17/793102717.db2.gz BICXJXGQPYOTBP-GOSISDBHSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189185 793142550 /nfs/dbraw/zinc/14/25/50/793142550.db2.gz MKVDULQPCWHZKI-PWIZWCRZSA-N 2 0 349.494 2.335 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992316030 793641320 /nfs/dbraw/zinc/64/13/20/793641320.db2.gz LSCCSBCTEABLPB-FPOVZHCZSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092189999 793652142 /nfs/dbraw/zinc/65/21/42/793652142.db2.gz LRKNXMQSZAFZRX-GGPKGHCWSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000999189085 793974646 /nfs/dbraw/zinc/97/46/46/793974646.db2.gz HZGWRZZKRIHSRD-CKEIUWERSA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854592 794417732 /nfs/dbraw/zinc/41/77/32/794417732.db2.gz QUERNZJFSQGLLZ-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093382654 795123823 /nfs/dbraw/zinc/12/38/23/795123823.db2.gz CMBULRBYJSRXAV-RTBURBONSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383809 795126499 /nfs/dbraw/zinc/12/64/99/795126499.db2.gz PDVJMABQSBIPPY-RTBURBONSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198719 795219755 /nfs/dbraw/zinc/21/97/55/795219755.db2.gz LKINLOWXFCEKGX-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001079879206 795312601 /nfs/dbraw/zinc/31/26/01/795312601.db2.gz GQCDGSNLVJSEPM-QRQLOZEOSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959843 795610833 /nfs/dbraw/zinc/61/08/33/795610833.db2.gz RXFGWCBAQKJLBE-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108023351 795626157 /nfs/dbraw/zinc/62/61/57/795626157.db2.gz ZXZLMESOKVNAHA-LJQANCHMSA-N 2 0 349.519 2.036 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001106600444 795923794 /nfs/dbraw/zinc/92/37/94/795923794.db2.gz ZHKGCUVNGHGFDU-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC3CC(C)C3)[C@H](C)C2)CC1 ZINC001094239777 796030573 /nfs/dbraw/zinc/03/05/73/796030573.db2.gz BQSOOJPUMIFZGI-CBJHCWRLSA-N 2 0 345.531 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC3CC3)C2)CC1 ZINC001036901958 796438618 /nfs/dbraw/zinc/43/86/18/796438618.db2.gz BILSPAHDJSIFLR-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001171516019 796625003 /nfs/dbraw/zinc/62/50/03/796625003.db2.gz QFOVTYSISQRRBA-KRWDZBQOSA-N 2 0 339.524 2.186 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673051 796846774 /nfs/dbraw/zinc/84/67/74/796846774.db2.gz VGBRNOLCTDAOFT-QXAKKESOSA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172311587 796952940 /nfs/dbraw/zinc/95/29/40/796952940.db2.gz VLBGRVMHJQITPG-GOSISDBHSA-N 2 0 326.488 2.203 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001679579 797107188 /nfs/dbraw/zinc/10/71/88/797107188.db2.gz GYZDQXJFVFKBRD-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943937 797761093 /nfs/dbraw/zinc/76/10/93/797761093.db2.gz SQKMJCYGOCSUMF-BMFZPTHFSA-N 2 0 327.900 2.296 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175264732 798062592 /nfs/dbraw/zinc/06/25/92/798062592.db2.gz VJGNEVRUFFQKHA-KRWDZBQOSA-N 2 0 329.488 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494885 798094326 /nfs/dbraw/zinc/09/43/26/798094326.db2.gz FWDNIIRKHKWIGA-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)CC1 ZINC001176738687 798543532 /nfs/dbraw/zinc/54/35/32/798543532.db2.gz RMVHUTIIIQWMIV-QGZVFWFLSA-N 2 0 333.520 2.396 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941621 798568743 /nfs/dbraw/zinc/56/87/43/798568743.db2.gz TZHYZIKOVUEXSL-QYZOEREBSA-N 2 0 331.504 2.217 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176844007 798580468 /nfs/dbraw/zinc/58/04/68/798580468.db2.gz DNIBMDDNSSZHKH-HZPDHXFCSA-N 2 0 328.460 2.027 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)s1 ZINC001176884530 798613139 /nfs/dbraw/zinc/61/31/39/798613139.db2.gz LSDXVXWOCCRKDW-UHFFFAOYSA-N 2 0 334.489 2.092 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001176925909 798630433 /nfs/dbraw/zinc/63/04/33/798630433.db2.gz DJNINMPKZZQGOP-UHFFFAOYSA-N 2 0 345.462 2.075 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001176997055 798685998 /nfs/dbraw/zinc/68/59/98/798685998.db2.gz HDKJWKXYXDUJBU-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585716 806695188 /nfs/dbraw/zinc/69/51/88/806695188.db2.gz NTRICJXIGWLDDP-ZJOUEHCJSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328440 798864957 /nfs/dbraw/zinc/86/49/57/798864957.db2.gz KYFXPPHKOZAARF-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177406804 798927204 /nfs/dbraw/zinc/92/72/04/798927204.db2.gz ZQBSAGDYIKELMA-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179071108 799769048 /nfs/dbraw/zinc/76/90/48/799769048.db2.gz ADDKIEDRGHYYKE-QPIRBTGLSA-N 2 0 349.519 2.082 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085224859 800257060 /nfs/dbraw/zinc/25/70/60/800257060.db2.gz YNZBIIAEDWIHAX-GUDVDZBRSA-N 2 0 349.519 2.223 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085422379 800480973 /nfs/dbraw/zinc/48/09/73/800480973.db2.gz QZYXQKOOBHZQGG-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC001184331133 801988506 /nfs/dbraw/zinc/98/85/06/801988506.db2.gz IIQYEOSUACPTRP-JKSUJKDBSA-N 2 0 330.476 2.307 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439800 802048330 /nfs/dbraw/zinc/04/83/30/802048330.db2.gz WSUDJAWNLLFJKZ-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439804 802048809 /nfs/dbraw/zinc/04/88/09/802048809.db2.gz WSUDJAWNLLFJKZ-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001185072936 802336865 /nfs/dbraw/zinc/33/68/65/802336865.db2.gz LBTGWRHWOZAHEK-SJLPKXTDSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001185167137 802370065 /nfs/dbraw/zinc/37/00/65/802370065.db2.gz CELVZUDCADPODB-FXAWDEMLSA-N 2 0 341.499 2.112 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946645002 802577627 /nfs/dbraw/zinc/57/76/27/802577627.db2.gz MGOOKKRTJZFHLX-IXDOHACOSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258268 802613099 /nfs/dbraw/zinc/61/30/99/802613099.db2.gz PTCRSJQFOXXWJQ-HKUYNNGSSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419242 803510186 /nfs/dbraw/zinc/51/01/86/803510186.db2.gz FTZYALHODAUAHH-LJQANCHMSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001086609491 810022182 /nfs/dbraw/zinc/02/21/82/810022182.db2.gz JMJNCVBPLRFYAU-YTQUADARSA-N 2 0 327.472 2.098 20 30 EEEDRP N#Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001170526203 812245406 /nfs/dbraw/zinc/24/54/06/812245406.db2.gz WFKDDVMLUHLIGA-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001436401903 1087749491 /nfs/dbraw/zinc/74/94/91/1087749491.db2.gz SZRISLHYBZRYFT-FHWLQOOXSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001437320792 1089482299 /nfs/dbraw/zinc/48/22/99/1089482299.db2.gz BNSKAKYTNOGECW-KBPBESRZSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001439888534 1092944318 /nfs/dbraw/zinc/94/43/18/1092944318.db2.gz TYTRKFQBXODPQD-MRXNPFEDSA-N 2 0 325.884 2.196 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198552 1096477852 /nfs/dbraw/zinc/47/78/52/1096477852.db2.gz HAPHTQIIXGLJSC-CABCVRRESA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001495667973 1101409801 /nfs/dbraw/zinc/40/98/01/1101409801.db2.gz SZXGJANBAONPLZ-JSGCOSHPSA-N 2 0 346.313 2.110 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496192797 1102197265 /nfs/dbraw/zinc/19/72/65/1102197265.db2.gz FABRBTCMOPWWCN-HNNXBMFYSA-N 2 0 348.516 2.288 20 30 EEEDRP CCCC[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001448244608 1104235828 /nfs/dbraw/zinc/23/58/28/1104235828.db2.gz GKLFXDBZXLYSFM-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001495052032 1104689402 /nfs/dbraw/zinc/68/94/02/1104689402.db2.gz XZRONQRHFKQDAP-QGZVFWFLSA-N 2 0 346.450 2.024 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001508118373 1115422895 /nfs/dbraw/zinc/42/28/95/1115422895.db2.gz KBPKCPGFRLCMNV-MHJFOBGBSA-N 2 0 339.483 2.101 20 30 EEEDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)CC[NH2+]CC1 ZINC000423160071 240389467 /nfs/dbraw/zinc/38/94/67/240389467.db2.gz GTAZWIZSSNNMIR-ZDUSSCGKSA-N 2 0 333.407 2.108 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000264937521 247064274 /nfs/dbraw/zinc/06/42/74/247064274.db2.gz UXSHOJWITAGGPQ-VAWYXSNFSA-N 2 0 342.487 2.303 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042826 285250822 /nfs/dbraw/zinc/25/08/22/285250822.db2.gz WNNJXEHBYIQBAF-LJQANCHMSA-N 2 0 344.503 2.415 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc2c(c1C#N)CCC2 ZINC000425238277 270020022 /nfs/dbraw/zinc/02/00/22/270020022.db2.gz USLPWRXMAZIVLH-UHFFFAOYSA-N 2 0 329.492 2.152 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442881784 267059118 /nfs/dbraw/zinc/05/91/18/267059118.db2.gz NZPZKKYVZVNLHV-GOSISDBHSA-N 2 0 331.460 2.500 20 30 EEEDRP C[NH+](C)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000365005133 276758766 /nfs/dbraw/zinc/75/87/66/276758766.db2.gz BMRPJWSNABQSNQ-IBGZPJMESA-N 2 0 340.471 2.327 20 30 EEEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000339050607 465052338 /nfs/dbraw/zinc/05/23/38/465052338.db2.gz RKEILLOJVQFEIY-PKOBYXMFSA-N 2 0 346.519 2.383 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091537618 462887183 /nfs/dbraw/zinc/88/71/83/462887183.db2.gz WQFUGVNFDJRNGL-UHFFFAOYSA-N 2 0 330.476 2.184 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276684847 463718531 /nfs/dbraw/zinc/71/85/31/463718531.db2.gz UGXOJGPDUXPRRI-UHFFFAOYSA-N 2 0 332.492 2.264 20 30 EEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000268457008 463751217 /nfs/dbraw/zinc/75/12/17/463751217.db2.gz YBEFQHQSCNXFQE-UHFFFAOYSA-N 2 0 344.503 2.361 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000171721691 463913552 /nfs/dbraw/zinc/91/35/52/463913552.db2.gz RAZIPGWZIFARDL-VQIMIIECSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000187268787 464111596 /nfs/dbraw/zinc/11/15/96/464111596.db2.gz BVTVMKUUQPCESA-VQIMIIECSA-N 2 0 327.472 2.139 20 30 EEEDRP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068166 464278076 /nfs/dbraw/zinc/27/80/76/464278076.db2.gz BZVPPYSDEMCPJI-CVEARBPZSA-N 2 0 335.496 2.051 20 30 EEEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000264063612 464278792 /nfs/dbraw/zinc/27/87/92/464278792.db2.gz DNHALMCAXXUPSD-MRXNPFEDSA-N 2 0 330.476 2.065 20 30 EEEDRP C=CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293481221 464406605 /nfs/dbraw/zinc/40/66/05/464406605.db2.gz YDWNYPSAOHESKO-UHFFFAOYSA-N 2 0 327.472 2.277 20 30 EEEDRP CN(C(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000181484900 464496543 /nfs/dbraw/zinc/49/65/43/464496543.db2.gz BXSRWGHBQHULPG-UHFFFAOYSA-N 2 0 330.476 2.113 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)C(C)C ZINC000417073433 466771501 /nfs/dbraw/zinc/77/15/01/466771501.db2.gz XVQOBEURIXSZLU-ROUUACIJSA-N 2 0 336.524 2.326 20 30 EEEDRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000441382432 467571894 /nfs/dbraw/zinc/57/18/94/467571894.db2.gz UGAZJXJQXHWBMJ-UHFFFAOYSA-N 2 0 344.503 2.485 20 30 EEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530231629 467966214 /nfs/dbraw/zinc/96/62/14/467966214.db2.gz SBSHXDQBUCPSPQ-GOSISDBHSA-N 2 0 331.460 2.008 20 30 EEEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000599657315 469327404 /nfs/dbraw/zinc/32/74/04/469327404.db2.gz FOGKZCKDZBERMM-INIZCTEOSA-N 2 0 330.476 2.331 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654431579 471956748 /nfs/dbraw/zinc/95/67/48/471956748.db2.gz REEMBODPIBDICG-MSOLQXFVSA-N 2 0 334.508 2.343 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106334938 526593440 /nfs/dbraw/zinc/59/34/40/526593440.db2.gz JGVTVYHAEQTTMM-IAGOWNOFSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000772114259 577252485 /nfs/dbraw/zinc/25/24/85/577252485.db2.gz XYPNHLJIXIAQSO-UHFFFAOYSA-N 2 0 332.419 2.146 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020938744 675592929 /nfs/dbraw/zinc/59/29/29/675592929.db2.gz VPCLWRRFVWVRCG-QAQDUYKDSA-N 2 0 349.438 2.070 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141025 675647247 /nfs/dbraw/zinc/64/72/47/675647247.db2.gz NFKSZJNTCMOBRZ-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365460 679883156 /nfs/dbraw/zinc/88/31/56/679883156.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366999 679883857 /nfs/dbraw/zinc/88/38/57/679883857.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590774 683052039 /nfs/dbraw/zinc/05/20/39/683052039.db2.gz RMPXSRWIMPAWPW-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000992756483 683393794 /nfs/dbraw/zinc/39/37/94/683393794.db2.gz MWLAFOAMQFUGKW-OKZBNKHCSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC000992925691 683656281 /nfs/dbraw/zinc/65/62/81/683656281.db2.gz LVSMMWVIYVVQTN-HSALFYBXSA-N 2 0 339.483 2.212 20 30 EEEDRP C#C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000893267706 684411581 /nfs/dbraw/zinc/41/15/81/684411581.db2.gz NBXCPJGASCUSGV-SFHVURJKSA-N 2 0 346.519 2.134 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001026464446 684677913 /nfs/dbraw/zinc/67/79/13/684677913.db2.gz HBSAAYMIAQLRGU-CTWPCTMYSA-N 2 0 340.471 2.169 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)C1 ZINC000262440527 686100419 /nfs/dbraw/zinc/10/04/19/686100419.db2.gz UNIHULGIRJDYIE-MWDXBVQZSA-N 2 0 336.524 2.039 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029758184 687022905 /nfs/dbraw/zinc/02/29/05/687022905.db2.gz UJILOCDAGKJGIB-AEFFLSMTSA-N 2 0 345.512 2.126 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC000986348843 688521800 /nfs/dbraw/zinc/52/18/00/688521800.db2.gz BNGHWYHUDPRFAV-BLLLJJGKSA-N 2 0 343.456 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107027767 1192714308 /nfs/dbraw/zinc/71/43/08/1192714308.db2.gz AEAMOGNJKJRJHD-GDBMZVCRSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482330580 1185414382 /nfs/dbraw/zinc/41/43/82/1185414382.db2.gz KIDTVVASXPWKQB-ZDUSSCGKSA-N 2 0 348.329 2.309 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399374 1186798250 /nfs/dbraw/zinc/79/82/50/1186798250.db2.gz JISGCWHFKZMDJY-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001105425263 1186908005 /nfs/dbraw/zinc/90/80/05/1186908005.db2.gz FCCKMMBMLTXLKQ-VELGLUOQSA-N 2 0 341.499 2.319 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001105435437 1187066243 /nfs/dbraw/zinc/06/62/43/1187066243.db2.gz NUUXTFFYNZPODI-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518506 1188135761 /nfs/dbraw/zinc/13/57/61/1188135761.db2.gz ZWEWMLNVBHCQMV-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568388 1188182242 /nfs/dbraw/zinc/18/22/42/1188182242.db2.gz NYIQOVSRPOJYSM-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCC(C)C)CC2)CC1 ZINC001168320743 1188291166 /nfs/dbraw/zinc/29/11/66/1188291166.db2.gz NKYBLLJOVSZEBX-UHFFFAOYSA-N 2 0 333.520 2.254 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486207350 1193720671 /nfs/dbraw/zinc/72/06/71/1193720671.db2.gz QKYAPJSTKBOZJU-HUUCEWRRSA-N 2 0 325.884 2.242 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183356 1193722492 /nfs/dbraw/zinc/72/24/92/1193722492.db2.gz GSKMPHNDTQEVAV-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001005177232 1194666739 /nfs/dbraw/zinc/66/67/39/1194666739.db2.gz BSMCIVNDUXERDE-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001033683948 1195063725 /nfs/dbraw/zinc/06/37/25/1195063725.db2.gz JYKHDSMTJNVUEK-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001034972178 1196928759 /nfs/dbraw/zinc/92/87/59/1196928759.db2.gz COWBWNLYPJQGQG-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133082394 1200412553 /nfs/dbraw/zinc/41/25/53/1200412553.db2.gz GAWACNLBRFWOCG-BBRMVZONSA-N 2 0 327.900 2.155 20 30 EEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000104174592 1204612317 /nfs/dbraw/zinc/61/23/17/1204612317.db2.gz QXQFIPZFRJGDEX-MRXNPFEDSA-N 2 0 331.508 2.420 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001274892080 1205201773 /nfs/dbraw/zinc/20/17/73/1205201773.db2.gz JYMQTKLBKCXLDT-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001274958371 1205220356 /nfs/dbraw/zinc/22/03/56/1205220356.db2.gz BTMKZPVLWSSLHK-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCCc1ccccc1 ZINC000303878810 1213917702 /nfs/dbraw/zinc/91/77/02/1213917702.db2.gz JIWRBGVDZSGLGF-GOSISDBHSA-N 2 0 332.492 2.024 20 30 EEEDRP C[C@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)[N@H+](C)C1CC1 ZINC000303981519 1213935637 /nfs/dbraw/zinc/93/56/37/1213935637.db2.gz PCSXDZJFCQFOSK-CQSZACIVSA-N 2 0 349.910 2.259 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957617613 1215260997 /nfs/dbraw/zinc/26/09/97/1215260997.db2.gz STIBYJQFRXVZST-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1 ZINC000304677807 1216084076 /nfs/dbraw/zinc/08/40/76/1216084076.db2.gz DIOKVVLETRTNOJ-CQSZACIVSA-N 2 0 339.281 2.338 20 30 EEEDRP [NH2+]=C(NCc1cccc(CN2CCOCC2)c1)N1CCCCCC1 ZINC000305083148 1216144770 /nfs/dbraw/zinc/14/47/70/1216144770.db2.gz TVMZLFLBAGHUOL-UHFFFAOYSA-N 2 0 330.476 2.210 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000960220842 1216433103 /nfs/dbraw/zinc/43/31/03/1216433103.db2.gz ZTZRXOOPWGLJIH-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CCC)C3)C2)CC1 ZINC000961290942 1217130873 /nfs/dbraw/zinc/13/08/73/1217130873.db2.gz FDGUJIDZKFUGCI-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CCC)C3)C2)CC1 ZINC000961290939 1217130946 /nfs/dbraw/zinc/13/09/46/1217130946.db2.gz FDGUJIDZKFUGCI-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961414285 1217180740 /nfs/dbraw/zinc/18/07/40/1217180740.db2.gz AXVDZNGMRAFLCW-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346151 1217540226 /nfs/dbraw/zinc/54/02/26/1217540226.db2.gz KFZNHWJRPQJADM-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419416 1221290073 /nfs/dbraw/zinc/29/00/73/1221290073.db2.gz ULWUJRFGNCBEIW-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016690383 1226783355 /nfs/dbraw/zinc/78/33/55/1226783355.db2.gz KCAXDAFEINMELY-LSDHHAIUSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001016822926 1226905244 /nfs/dbraw/zinc/90/52/44/1226905244.db2.gz IVEBILJBMIEZOL-ZBFHGGJFSA-N 2 0 328.460 2.376 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020145012 1229509425 /nfs/dbraw/zinc/50/94/25/1229509425.db2.gz FGONMBREJIEFSE-CKEIUWERSA-N 2 0 346.500 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCCC2)CC1 ZINC001039042319 1230258872 /nfs/dbraw/zinc/25/88/72/1230258872.db2.gz PXEAJWQZWNVSCJ-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133956 1230344832 /nfs/dbraw/zinc/34/48/32/1230344832.db2.gz MUPSAGYQNUJPBT-RBUKOAKNSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137530 1230350593 /nfs/dbraw/zinc/35/05/93/1230350593.db2.gz NQQJFXPGUSXDOR-SFHVURJKSA-N 2 0 336.439 2.142 20 30 EEEDRP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141319 1230357332 /nfs/dbraw/zinc/35/73/32/1230357332.db2.gz VFZDPFLSAYNALC-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228537 1230461020 /nfs/dbraw/zinc/46/10/20/1230461020.db2.gz IZWGAXRWRRBNRS-QFBILLFUSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349178 1231181251 /nfs/dbraw/zinc/18/12/51/1231181251.db2.gz WMUDSZGWWBRRHU-CTNGQTDRSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430303 1231227798 /nfs/dbraw/zinc/22/77/98/1231227798.db2.gz AJCPDVVWCUQPKO-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721922 1231348433 /nfs/dbraw/zinc/34/84/33/1231348433.db2.gz FMKDCPACFLWMAR-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001040853131 1231388676 /nfs/dbraw/zinc/38/86/76/1231388676.db2.gz JRUZAOJBXPNBMP-HNNXBMFYSA-N 2 0 327.900 2.394 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883236 1231395366 /nfs/dbraw/zinc/39/53/66/1231395366.db2.gz LAJMJCWONIWAAT-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC001044872255 1233331869 /nfs/dbraw/zinc/33/18/69/1233331869.db2.gz OYKGASCNVYVLAF-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045273569 1233629442 /nfs/dbraw/zinc/62/94/42/1233629442.db2.gz OONCTEGHFDOBPY-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943813 1234203167 /nfs/dbraw/zinc/20/31/67/1234203167.db2.gz PJHOSGLUWMQFIH-TZIWHRDSSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949164 1234213657 /nfs/dbraw/zinc/21/36/57/1234213657.db2.gz ZBHOQJSOJBUZTE-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(=C)C)C3)CC1 ZINC001047208242 1235672332 /nfs/dbraw/zinc/67/23/32/1235672332.db2.gz BOAPSDGMHHOKTL-SXLOBPIMSA-N 2 0 343.515 2.267 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047247820 1235743704 /nfs/dbraw/zinc/74/37/04/1235743704.db2.gz MJYVABLYJLFJOA-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048557413 1237958863 /nfs/dbraw/zinc/95/88/63/1237958863.db2.gz NMAUNXUJORWPML-HAGHYFMRSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC)CC1 ZINC001048589859 1238040769 /nfs/dbraw/zinc/04/07/69/1238040769.db2.gz BRHMFWAOADJUSE-FNLKRUPLSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049160314 1240153521 /nfs/dbraw/zinc/15/35/21/1240153521.db2.gz AWKJZDRTVVKLOB-BGYRXZFFSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165117 1240163134 /nfs/dbraw/zinc/16/31/34/1240163134.db2.gz HOHWWBZWKYFQGF-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837263 1242367844 /nfs/dbraw/zinc/36/78/44/1242367844.db2.gz ANXWYKWKHBCUSW-RTBURBONSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842508 1242385821 /nfs/dbraw/zinc/38/58/21/1242385821.db2.gz LSXQQYMDPXYLDM-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCC)CC1 ZINC001049909736 1242655309 /nfs/dbraw/zinc/65/53/09/1242655309.db2.gz CBUVCYCDGOXLJQ-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050066362 1242764696 /nfs/dbraw/zinc/76/46/96/1242764696.db2.gz ICXAZMONUUMJFG-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218644 1243842965 /nfs/dbraw/zinc/84/29/65/1243842965.db2.gz JMSGNEAXXZDDHM-AKHDSKFASA-N 2 0 329.488 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCC(=C)C)CC3)CC1 ZINC001050765278 1244317720 /nfs/dbraw/zinc/31/77/20/1244317720.db2.gz NDETVSXSBWIMIM-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCC(C)C)CC3)CC1 ZINC001050765639 1244319829 /nfs/dbraw/zinc/31/98/29/1244319829.db2.gz UMMXOLRAZOVOAL-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029537 1245712067 /nfs/dbraw/zinc/71/20/67/1245712067.db2.gz SRCXQDANJBIREA-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028929 1245712222 /nfs/dbraw/zinc/71/22/22/1245712222.db2.gz NZBQARJDOURGSJ-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108542 1245927730 /nfs/dbraw/zinc/92/77/30/1245927730.db2.gz WDWRNCKRFJKQPZ-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395556 1247182176 /nfs/dbraw/zinc/18/21/76/1247182176.db2.gz ULZNETWPYMGZSF-HRCADAONSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676557 1254495918 /nfs/dbraw/zinc/49/59/18/1254495918.db2.gz MVACXSUICREYSK-LSDHHAIUSA-N 2 0 325.416 2.036 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074812086 1257149257 /nfs/dbraw/zinc/14/92/57/1257149257.db2.gz WQKBRUSVLQZCPJ-SNRMKQJTSA-N 2 0 340.471 2.122 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001135298723 1278315933 /nfs/dbraw/zinc/31/59/33/1278315933.db2.gz OQNBFQWKKNNBMZ-CVEARBPZSA-N 2 0 342.487 2.273 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192037117 1281774817 /nfs/dbraw/zinc/77/48/17/1281774817.db2.gz DYLBANPXLMXKJP-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285132 1282979507 /nfs/dbraw/zinc/97/95/07/1282979507.db2.gz PYHVJFSEXRWZHR-LJQANCHMSA-N 2 0 345.462 2.050 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902199 1285402297 /nfs/dbraw/zinc/40/22/97/1285402297.db2.gz HSEMUVIXDVHBQH-IRXDYDNUSA-N 2 0 333.476 2.358 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCC)C[C@H]2C)CC1 ZINC001211307351 1295811759 /nfs/dbraw/zinc/81/17/59/1295811759.db2.gz UPEHHWPYUUITAZ-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215389211 1296884835 /nfs/dbraw/zinc/88/48/35/1296884835.db2.gz ZFLJMGJBWZCTJB-BHIYHBOVSA-N 2 0 331.504 2.243 20 30 EEEDRP N#Cc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)n2)s1 ZINC001218787651 1297795555 /nfs/dbraw/zinc/79/55/55/1297795555.db2.gz IUOKKNJNKIUDBG-ZDUSSCGKSA-N 2 0 347.469 2.009 20 30 EEEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972563 1297887938 /nfs/dbraw/zinc/88/79/38/1297887938.db2.gz PJERWDNPGFDEBR-SFHVURJKSA-N 2 0 334.423 2.405 20 30 EEEDRP C#CC[C@]1(C(=O)Nc2cccc(F)c2OC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001219303284 1297978244 /nfs/dbraw/zinc/97/82/44/1297978244.db2.gz PWRIBTQNOGZPDY-LJQANCHMSA-N 2 0 345.418 2.041 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099280318 1298997880 /nfs/dbraw/zinc/99/78/80/1298997880.db2.gz FMSDXPIKSLYFGK-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099321207 1299038966 /nfs/dbraw/zinc/03/89/66/1299038966.db2.gz QMCLXZYSJCKJHQ-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548499 1299209409 /nfs/dbraw/zinc/20/94/09/1299209409.db2.gz WLAZITCKHFITIC-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102113006 1300333480 /nfs/dbraw/zinc/33/34/80/1300333480.db2.gz QBTQTNRTLGRWQV-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001224496317 1300618264 /nfs/dbraw/zinc/61/82/64/1300618264.db2.gz RKIIFTQKWBNKFX-GOSISDBHSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507465 1301161442 /nfs/dbraw/zinc/16/14/42/1301161442.db2.gz AYYVJOVZRHFZPP-OPYAIIAOSA-N 2 0 341.499 2.171 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001228254842 1302176837 /nfs/dbraw/zinc/17/68/37/1302176837.db2.gz KSZFIRRNKJZZHL-WOJBJXKFSA-N 2 0 341.499 2.397 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001228646606 1302357041 /nfs/dbraw/zinc/35/70/41/1302357041.db2.gz IAIHZCCRCXVPRY-ZACQAIPSSA-N 2 0 348.516 2.477 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229388324 1302759308 /nfs/dbraw/zinc/75/93/08/1302759308.db2.gz BBXRSJSSEXEOAL-QZTJIDSGSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001103439851 1302963489 /nfs/dbraw/zinc/96/34/89/1302963489.db2.gz YAVHYTSRQHDHIY-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP COC(C)(C)C[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277584669 1303941940 /nfs/dbraw/zinc/94/19/40/1303941940.db2.gz NDDVOOAIURZORM-HDICACEKSA-N 2 0 344.503 2.466 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000799346906 1305234470 /nfs/dbraw/zinc/23/44/70/1305234470.db2.gz TVPPOIUMRNDSTM-MRXNPFEDSA-N 2 0 330.476 2.093 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448475 1309545265 /nfs/dbraw/zinc/54/52/65/1309545265.db2.gz AQXMCTQTFYWRRS-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246304295 1310276447 /nfs/dbraw/zinc/27/64/47/1310276447.db2.gz MEJLFEFIKYUISC-BBWFWOEESA-N 2 0 325.497 2.114 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246304507 1310276528 /nfs/dbraw/zinc/27/65/28/1310276528.db2.gz NHQRALOETMIGGC-INMHGKMJSA-N 2 0 325.497 2.112 20 30 EEEDRP CC(C)(C)c1ccc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)c(C#N)c1 ZINC001247832791 1310738070 /nfs/dbraw/zinc/73/80/70/1310738070.db2.gz ZCTIBICLYBTUCY-OAHLLOKOSA-N 2 0 337.427 2.182 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001162849927 1320973926 /nfs/dbraw/zinc/97/39/26/1320973926.db2.gz OFTQIASIGPQVIO-HXUWFJFHSA-N 2 0 341.499 2.155 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149863189 1316071909 /nfs/dbraw/zinc/07/19/09/1316071909.db2.gz YQLRFOIYEWAOCR-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451803 1316830377 /nfs/dbraw/zinc/83/03/77/1316830377.db2.gz JLHHEAIEFTZAQB-GPMSIDNRSA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123375 1316964273 /nfs/dbraw/zinc/96/42/73/1316964273.db2.gz WVRAHKNAKKBYJG-MSOLQXFVSA-N 2 0 339.524 2.136 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3cc(Cl)ncc3C#N)CC2)CC1 ZINC001157837655 1318898032 /nfs/dbraw/zinc/89/80/32/1318898032.db2.gz UROZVMLBOITFIS-UHFFFAOYSA-N 2 0 333.867 2.070 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001159329160 1319742548 /nfs/dbraw/zinc/74/25/48/1319742548.db2.gz ZXBQNGJNMIQLHP-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001159846740 1320003719 /nfs/dbraw/zinc/00/37/19/1320003719.db2.gz SUHALOZRSSOCAF-LJQANCHMSA-N 2 0 342.487 2.132 20 30 EEEDRP N#Cc1cc(NCCC[NH2+]CCCC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001162294825 1320810899 /nfs/dbraw/zinc/81/08/99/1320810899.db2.gz ZEQWJKGGQFWZPM-UHFFFAOYSA-N 2 0 342.403 2.145 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617307 1320912997 /nfs/dbraw/zinc/91/29/97/1320912997.db2.gz FUXBRPOXOZHXSS-UHFFFAOYSA-N 2 0 333.395 2.116 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001162929462 1320990702 /nfs/dbraw/zinc/99/07/02/1320990702.db2.gz YQAJOYCSGWZXHB-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001163820603 1321225812 /nfs/dbraw/zinc/22/58/12/1321225812.db2.gz GMWPREZQXYFDNF-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203773601 1321958253 /nfs/dbraw/zinc/95/82/53/1321958253.db2.gz VZWNLUNNOIQEET-RBUKOAKNSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205654051 1323230775 /nfs/dbraw/zinc/23/07/75/1323230775.db2.gz WDBNHLJGLMFURD-UHOSZYNNSA-N 2 0 345.462 2.073 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540757 1324012673 /nfs/dbraw/zinc/01/26/73/1324012673.db2.gz CKRWHIBQYCIPBW-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540756 1324013155 /nfs/dbraw/zinc/01/31/55/1324013155.db2.gz CKRWHIBQYCIPBW-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208720100 1324638042 /nfs/dbraw/zinc/63/80/42/1324638042.db2.gz ZSZVEZALMHFCIE-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243473 1325212955 /nfs/dbraw/zinc/21/29/55/1325212955.db2.gz LKKZUCMXWGUZTA-QRQLOZEOSA-N 2 0 327.472 2.139 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001342417176 1337316366 /nfs/dbraw/zinc/31/63/66/1337316366.db2.gz ZTHPEIIHXPAHHU-UHFFFAOYSA-N 2 0 346.523 2.051 20 30 EEEDRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001666652273 1355559953 /nfs/dbraw/zinc/55/99/53/1355559953.db2.gz OZUSRWAXAZXRAF-CRAIPNDOSA-N 2 0 349.906 2.374 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001675786661 1357049247 /nfs/dbraw/zinc/04/92/47/1357049247.db2.gz VSEGLNHFZALALN-VAMGGRTRSA-N 2 0 341.499 2.109 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156321 1368884416 /nfs/dbraw/zinc/88/44/16/1368884416.db2.gz AIMYNKGPLQENKL-LJQANCHMSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938239 1371328681 /nfs/dbraw/zinc/32/86/81/1371328681.db2.gz SCGCIYAKOGNUSP-UWVAXJGDSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001368350207 1374378492 /nfs/dbraw/zinc/37/84/92/1374378492.db2.gz ZQTDCBKGXVWFJA-FZKCQIBNSA-N 2 0 327.900 2.438 20 30 EEEDRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001371830394 1375650707 /nfs/dbraw/zinc/65/07/07/1375650707.db2.gz CLOWHUXLMJZXPG-CQSZACIVSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1)[NH+](CC)CC ZINC001377996444 1379627779 /nfs/dbraw/zinc/62/77/79/1379627779.db2.gz XOARMMBZTRQLOL-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001381212653 1381561512 /nfs/dbraw/zinc/56/15/12/1381561512.db2.gz ARLBMTBIGAKFKG-ZDUSSCGKSA-N 2 0 348.329 2.357 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001392183928 1389873449 /nfs/dbraw/zinc/87/34/49/1389873449.db2.gz SMMQVJRXMCWHMH-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392042 1390424088 /nfs/dbraw/zinc/42/40/88/1390424088.db2.gz QEJQNSRBUUPSBI-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001400818955 1396614607 /nfs/dbraw/zinc/61/46/07/1396614607.db2.gz GRSDAKGXKNTZKP-ROUUACIJSA-N 2 0 330.476 2.129 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001401945160 1397682203 /nfs/dbraw/zinc/68/22/03/1397682203.db2.gz QTBGMLSPNDSUDM-SFHVURJKSA-N 2 0 340.471 2.169 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001402239320 1397887263 /nfs/dbraw/zinc/88/72/63/1397887263.db2.gz GKWXXYJXDSWIBO-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC001574518145 1403522054 /nfs/dbraw/zinc/52/20/54/1403522054.db2.gz VSZQJWNDZKHTKF-JXFKEZNVSA-N 2 0 327.472 2.378 20 30 EEEDRP C#CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574517798 1403522213 /nfs/dbraw/zinc/52/22/13/1403522213.db2.gz QIJYPFVJIHCEKF-HFSMHLIXSA-N 2 0 339.483 2.159 20 30 EEEDRP N#Cc1cnc2ccccc2c1N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC001580081587 1403822843 /nfs/dbraw/zinc/82/28/43/1403822843.db2.gz NLAWFPQXVBAMMM-MRXNPFEDSA-N 2 0 335.455 2.228 20 30 EEEDRP Cc1ccccc1NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180454337 1405819940 /nfs/dbraw/zinc/81/99/40/1405819940.db2.gz DKRWPVKCTYLTIU-SFHVURJKSA-N 2 0 338.455 2.488 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C(C)(C)C ZINC001755840006 1407889592 /nfs/dbraw/zinc/88/95/92/1407889592.db2.gz PYIGCRNGTFLOQC-KRWDZBQOSA-N 2 0 333.476 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730149 1411043379 /nfs/dbraw/zinc/04/33/79/1411043379.db2.gz DDHNBQPZZDEOPD-UKRRQHHQSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC)[C@@H]2CC)CC1 ZINC001087840397 782348955 /nfs/dbraw/zinc/34/89/55/782348955.db2.gz WARNSAYDOPDXJF-NZSAHSFTSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942442810 782437846 /nfs/dbraw/zinc/43/78/46/782437846.db2.gz AKYNQNJNEDFXDX-NVXWUHKLSA-N 2 0 339.443 2.284 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210789668 758129404 /nfs/dbraw/zinc/12/94/04/758129404.db2.gz QERCGUMOVJXVAL-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461553 760933120 /nfs/dbraw/zinc/93/31/20/760933120.db2.gz KZSKBSVIEZUDNJ-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089638424 773644287 /nfs/dbraw/zinc/64/42/87/773644287.db2.gz BRZMOPDRNULBPN-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220519 774111548 /nfs/dbraw/zinc/11/15/48/774111548.db2.gz ZUMVMTWUPMDDBL-YESZJQIVSA-N 2 0 340.471 2.001 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000237693717 774156385 /nfs/dbraw/zinc/15/63/85/774156385.db2.gz CCSJXAZMNZAGBP-INIZCTEOSA-N 2 0 330.476 2.093 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301497 775483596 /nfs/dbraw/zinc/48/35/96/775483596.db2.gz WRPHXUBGRBXFDR-BRWVUGGUSA-N 2 0 348.491 2.178 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000939147482 775691093 /nfs/dbraw/zinc/69/10/93/775691093.db2.gz OMCKKNYNNLXAQM-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366332 777261349 /nfs/dbraw/zinc/26/13/49/777261349.db2.gz BQRYYQKMSJQQDL-HOTGVXAUSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279711 779512647 /nfs/dbraw/zinc/51/26/47/779512647.db2.gz DVVOYBGVTAKLNZ-NRSPTQNISA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982305547 779655025 /nfs/dbraw/zinc/65/50/25/779655025.db2.gz UZUBWCXMQAWYMA-BGYRXZFFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001028333797 780785707 /nfs/dbraw/zinc/78/57/07/780785707.db2.gz RHAMVNYQLYHAQW-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327834 783520967 /nfs/dbraw/zinc/52/09/67/783520967.db2.gz XZUQTQJXRIMWMF-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001035040136 783598459 /nfs/dbraw/zinc/59/84/59/783598459.db2.gz UBLZIIKHXFGZKX-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC001135477628 783867808 /nfs/dbraw/zinc/86/78/08/783867808.db2.gz LTPQQKFPQQYEON-GOSISDBHSA-N 2 0 330.476 2.130 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256572 784205798 /nfs/dbraw/zinc/20/57/98/784205798.db2.gz ITOXNUSWPUPEGF-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857552 784639354 /nfs/dbraw/zinc/63/93/54/784639354.db2.gz KDKUSODTAOXZON-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882903 784699823 /nfs/dbraw/zinc/69/98/23/784699823.db2.gz VMWXJDJDVUDBKK-STQMWFEESA-N 2 0 334.302 2.110 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1)[NH+](C)C ZINC000996315685 786254663 /nfs/dbraw/zinc/25/46/63/786254663.db2.gz SQEPKIVMLITYJZ-JKSUJKDBSA-N 2 0 348.516 2.287 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000996676816 787109323 /nfs/dbraw/zinc/10/93/23/787109323.db2.gz IVDHISKHSRVJDT-QGZVFWFLSA-N 2 0 346.500 2.041 20 30 EEEDRP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099570548 787955400 /nfs/dbraw/zinc/95/54/00/787955400.db2.gz RTJGRZNJLOXHFN-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996994416 788387408 /nfs/dbraw/zinc/38/74/08/788387408.db2.gz HYESMRKHXBZBPU-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997131662 789045911 /nfs/dbraw/zinc/04/59/11/789045911.db2.gz FPNKAQRKYRFGHM-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000923371229 789448229 /nfs/dbraw/zinc/44/82/29/789448229.db2.gz WBHYEGVGOOGJKE-LPHOPBHVSA-N 2 0 348.487 2.141 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(CC[NH3+])CC2)c(OC)c1 ZINC000923386250 789482252 /nfs/dbraw/zinc/48/22/52/789482252.db2.gz IOSQNBDPFJXTDQ-GOSISDBHSA-N 2 0 348.487 2.224 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001146336834 791180829 /nfs/dbraw/zinc/18/08/29/791180829.db2.gz BEVXRCPZLXJNGE-ZIAGYGMSSA-N 2 0 334.489 2.088 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001146339407 791211277 /nfs/dbraw/zinc/21/12/77/791211277.db2.gz LBOIJPMCSLFBRA-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001146340153 791212169 /nfs/dbraw/zinc/21/21/69/791212169.db2.gz OUSKIBHRLLSAKS-HZPDHXFCSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998312431 792549177 /nfs/dbraw/zinc/54/91/77/792549177.db2.gz JVHJHFNPMLVFRY-KBPBESRZSA-N 2 0 333.398 2.027 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000999366398 794367805 /nfs/dbraw/zinc/36/78/05/794367805.db2.gz XZYCGUSFWJVAFH-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992504036 794433327 /nfs/dbraw/zinc/43/33/27/794433327.db2.gz GAWCYIOWCOLCCO-CTNGQTDRSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502225 794436222 /nfs/dbraw/zinc/43/62/22/794436222.db2.gz BBEULVHARCPPND-CTNGQTDRSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380253 795118585 /nfs/dbraw/zinc/11/85/85/795118585.db2.gz VBYNPAFZIWTBHX-RBUKOAKNSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384031 795127952 /nfs/dbraw/zinc/12/79/52/795127952.db2.gz SZEQBDDMSPYHCT-LJQANCHMSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684556 796093710 /nfs/dbraw/zinc/09/37/10/796093710.db2.gz DUUQSKCFTJMLQH-AFYVEPGGSA-N 2 0 341.499 2.202 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497468 796290975 /nfs/dbraw/zinc/29/09/75/796290975.db2.gz ZMYAGUVRSXMDCZ-SFHLNBCPSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094562314 796400666 /nfs/dbraw/zinc/40/06/66/796400666.db2.gz SMHYWTNXBBGUNE-UYAOXDASSA-N 2 0 340.471 2.145 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C12CCC2 ZINC001078678518 796836922 /nfs/dbraw/zinc/83/69/22/796836922.db2.gz WAUGIQDOVUGLIA-IAGOWNOFSA-N 2 0 337.427 2.084 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993631215 796885619 /nfs/dbraw/zinc/88/56/19/796885619.db2.gz MFBIDFAOVSUASQ-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078785313 797008763 /nfs/dbraw/zinc/00/87/63/797008763.db2.gz BIZLQLJPBFVFET-DLBZAZTESA-N 2 0 328.460 2.354 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccc(-n3ccnc3)cn2)CC1 ZINC001002040789 797503124 /nfs/dbraw/zinc/50/31/24/797503124.db2.gz GYQJQPSIUCVGPX-UHFFFAOYSA-N 2 0 339.443 2.285 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082853763 797724187 /nfs/dbraw/zinc/72/41/87/797724187.db2.gz VHTQZAHRCOLLEV-POAQFYNOSA-N 2 0 329.488 2.476 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471076 798050185 /nfs/dbraw/zinc/05/01/85/798050185.db2.gz AKNDASOJFVAUCR-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175387795 798092570 /nfs/dbraw/zinc/09/25/70/798092570.db2.gz CEFHBOZLGLPONN-RLLQIKCJSA-N 2 0 341.499 2.230 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385854 798301075 /nfs/dbraw/zinc/30/10/75/798301075.db2.gz KHHFKOIRLRFBFF-KRWDZBQOSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663310 798354838 /nfs/dbraw/zinc/35/48/38/798354838.db2.gz WOGVCUXZDHRXFJ-MDZRGWNJSA-N 2 0 337.483 2.308 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404316 798410802 /nfs/dbraw/zinc/41/08/02/798410802.db2.gz VVQMMSYTKCPTBS-MSOLQXFVSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853460 798505722 /nfs/dbraw/zinc/50/57/22/798505722.db2.gz QPILPIQHMPADFK-GUDVDZBRSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001176926867 798631212 /nfs/dbraw/zinc/63/12/12/798631212.db2.gz YEZUNGBNTBGIGG-UHFFFAOYSA-N 2 0 345.462 2.075 20 30 EEEDRP N#Cc1ccc(F)c(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176930559 798634264 /nfs/dbraw/zinc/63/42/64/798634264.db2.gz LNXFDPZVNWCHGX-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176986320 798675492 /nfs/dbraw/zinc/67/54/92/798675492.db2.gz KRNHATLDUXYETD-LJQANCHMSA-N 2 0 345.462 2.148 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001177333290 798868338 /nfs/dbraw/zinc/86/83/38/798868338.db2.gz WTBWFBACKYDDKS-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001177348846 798901650 /nfs/dbraw/zinc/90/16/50/798901650.db2.gz NTFNFLFZNXGNBN-UHFFFAOYSA-N 2 0 345.531 2.494 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177349102 798901801 /nfs/dbraw/zinc/90/18/01/798901801.db2.gz YCPYMFBIAWYFEC-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001177448257 798938350 /nfs/dbraw/zinc/93/83/50/798938350.db2.gz IEMSHBISWCEISA-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001177484304 798976572 /nfs/dbraw/zinc/97/65/72/798976572.db2.gz AZRDAEPFRLQASE-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001003283028 799479403 /nfs/dbraw/zinc/47/94/03/799479403.db2.gz BVNKVPLFEFCWEX-UHFFFAOYSA-N 2 0 325.416 2.038 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001003622918 799902273 /nfs/dbraw/zinc/90/22/73/799902273.db2.gz CKUDPOBNOUCYBT-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592932 799999035 /nfs/dbraw/zinc/99/90/35/799999035.db2.gz QJTYWPGKPYPPJU-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001181958581 800977536 /nfs/dbraw/zinc/97/75/36/800977536.db2.gz BMWVXMBDCGRFLR-OXQOHEQNSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182910415 801396501 /nfs/dbraw/zinc/39/65/01/801396501.db2.gz HSSHHTVXUSXYOS-WSTZPKSXSA-N 2 0 335.536 2.450 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001183077168 801446569 /nfs/dbraw/zinc/44/65/69/801446569.db2.gz VOKKYVGSCGSAPG-YLJYHZDGSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004441196 802051861 /nfs/dbraw/zinc/05/18/61/802051861.db2.gz HGWHGMVOILLRIE-IPMKNSEASA-N 2 0 331.504 2.053 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086122216 802221666 /nfs/dbraw/zinc/22/16/66/802221666.db2.gz ATVAANKBMMWXMQ-OTWHNJEPSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086158971 802330168 /nfs/dbraw/zinc/33/01/68/802330168.db2.gz DMELOOHXDXHGBA-MAEOIBBWSA-N 2 0 329.488 2.465 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175350 802394869 /nfs/dbraw/zinc/39/48/69/802394869.db2.gz SBLGSIAPNXDUFZ-HRCADAONSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004589525 802434771 /nfs/dbraw/zinc/43/47/71/802434771.db2.gz FMIKQYJPZNRXJC-FQEVSTJZSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCCCN1CCn2ncc(CNC(=O)CC[N@@H+](C)CCC)c2C1 ZINC001128560554 803083895 /nfs/dbraw/zinc/08/38/95/803083895.db2.gz QBYHUCHNKTVREW-UHFFFAOYSA-N 2 0 347.507 2.013 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108775761 804481087 /nfs/dbraw/zinc/48/10/87/804481087.db2.gz IFXKQKHBAHZFJC-IHPCNDPISA-N 2 0 339.483 2.354 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001108764691 804487458 /nfs/dbraw/zinc/48/74/58/804487458.db2.gz TZFOXFWSOHQPCW-ZCNNSNEGSA-N 2 0 341.499 2.316 20 30 EEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001108799403 804523610 /nfs/dbraw/zinc/52/36/10/804523610.db2.gz OFFXNRAAGBYIHW-XHSDSOJGSA-N 2 0 328.460 2.306 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834105 804559403 /nfs/dbraw/zinc/55/94/03/804559403.db2.gz CFNYPHCSWMHEBC-FHWLQOOXSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001130447165 811654758 /nfs/dbraw/zinc/65/47/58/811654758.db2.gz XKXGPSONZJRRNU-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001131562155 812971960 /nfs/dbraw/zinc/97/19/60/812971960.db2.gz MOEALBFHBOSUFE-HQRMLTQVSA-N 2 0 349.519 2.033 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114825 1093176630 /nfs/dbraw/zinc/17/66/30/1093176630.db2.gz FMUZOXHSQBLVKK-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001440664983 1093932343 /nfs/dbraw/zinc/93/23/43/1093932343.db2.gz KZNOHYCQMDDKCR-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001443333126 1097843450 /nfs/dbraw/zinc/84/34/50/1097843450.db2.gz RNGLECVPNVGVPN-IBGZPJMESA-N 2 0 342.487 2.180 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444642393 1099471530 /nfs/dbraw/zinc/47/15/30/1099471530.db2.gz XKOYCDRFVIZMHU-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCC[NH+](C)C ZINC001446444330 1100866598 /nfs/dbraw/zinc/86/65/98/1100866598.db2.gz PCLILODEPHAPEZ-CABCVRRESA-N 2 0 348.516 2.431 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001501177706 1113230351 /nfs/dbraw/zinc/23/03/51/1113230351.db2.gz UQTIYNOHHYNANB-JYJNAYRXSA-N 2 0 327.900 2.345 20 30 EEEDRP N#CCCCOc1cccc(C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000105905509 237094976 /nfs/dbraw/zinc/09/49/76/237094976.db2.gz WGOXSZVWVRQXGP-UHFFFAOYSA-N 2 0 331.460 2.163 20 30 EEEDRP N#Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995215208 782002609 /nfs/dbraw/zinc/00/26/09/782002609.db2.gz TVBHRRPFEDUKDR-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000369114189 166193288 /nfs/dbraw/zinc/19/32/88/166193288.db2.gz ZVWWZYLFKSWFDK-VQIMIIECSA-N 2 0 342.487 2.025 20 30 EEEDRP Cc1cc(NCC2(C[NH+]3CCOCC3)CCCCC2)c(C#N)cn1 ZINC000564877093 319121447 /nfs/dbraw/zinc/12/14/47/319121447.db2.gz QKJNKQCZZNUDDO-UHFFFAOYSA-N 2 0 328.460 2.378 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000066921735 462946439 /nfs/dbraw/zinc/94/64/39/462946439.db2.gz CQDXUHHUIAIMOF-IRXDYDNUSA-N 2 0 333.520 2.204 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000134122780 463006143 /nfs/dbraw/zinc/00/61/43/463006143.db2.gz NXROKUIOQQJOLU-NVXWUHKLSA-N 2 0 330.476 2.392 20 30 EEEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121826554 463200982 /nfs/dbraw/zinc/20/09/82/463200982.db2.gz LSNNIADJDDCDAC-UHFFFAOYSA-N 2 0 334.508 2.337 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448501 463292308 /nfs/dbraw/zinc/29/23/08/463292308.db2.gz FCJYMSWXSYFYPJ-XLIONFOSSA-N 2 0 339.483 2.111 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185885673 463898584 /nfs/dbraw/zinc/89/85/84/463898584.db2.gz NUIISCNAHIWOFJ-FUHWJXTLSA-N 2 0 328.460 2.150 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000171703612 463909213 /nfs/dbraw/zinc/90/92/13/463909213.db2.gz QYYKOWPWXBNRNR-UHFFFAOYSA-N 2 0 330.476 2.198 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1sccc1Br ZINC000262001149 463923164 /nfs/dbraw/zinc/92/31/64/463923164.db2.gz PVGMERNINRRXIQ-SNVBAGLBSA-N 2 0 345.310 2.399 20 30 EEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000543206969 468391775 /nfs/dbraw/zinc/39/17/75/468391775.db2.gz IEKGXCUMHLXEKE-FQEVSTJZSA-N 2 0 326.488 2.353 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000264120863 464285639 /nfs/dbraw/zinc/28/56/39/464285639.db2.gz UXBXTUJZIQIYSE-INIZCTEOSA-N 2 0 348.491 2.025 20 30 EEEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC1CCCCCC1 ZINC000272734623 464686233 /nfs/dbraw/zinc/68/62/33/464686233.db2.gz BCLIPLKYPMRGDS-IBGZPJMESA-N 2 0 344.503 2.380 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000329865255 465456667 /nfs/dbraw/zinc/45/66/67/465456667.db2.gz ADHJZBZASZDNOG-IYBDPMFKSA-N 2 0 345.491 2.163 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000343576326 465530822 /nfs/dbraw/zinc/53/08/22/465530822.db2.gz GSYYCSVDZZTFJF-QFBILLFUSA-N 2 0 336.524 2.483 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364369471 466697573 /nfs/dbraw/zinc/69/75/73/466697573.db2.gz CXOJRUPTAPYRGT-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000417057949 466766418 /nfs/dbraw/zinc/76/64/18/466766418.db2.gz CTLGLYLPKDOITO-RCCFBDPRSA-N 2 0 336.524 2.372 20 30 EEEDRP N#CC1(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCOCC1 ZINC000373842475 466938984 /nfs/dbraw/zinc/93/89/84/466938984.db2.gz RCKFZNVDNADUEK-UHFFFAOYSA-N 2 0 335.492 2.131 20 30 EEEDRP C=CCN1CC[C@@H](N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302847 467345299 /nfs/dbraw/zinc/34/52/99/467345299.db2.gz CDAIUDSASLVMTQ-SJORKVTESA-N 2 0 345.512 2.479 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000519302687 468152074 /nfs/dbraw/zinc/15/20/74/468152074.db2.gz LNYQJIMSIVKPTR-UHFFFAOYSA-N 2 0 336.524 2.399 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000598609606 468931773 /nfs/dbraw/zinc/93/17/73/468931773.db2.gz SXNGJUOHZNTSDK-BBWFWOEESA-N 2 0 325.497 2.014 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000598720556 468973726 /nfs/dbraw/zinc/97/37/26/468973726.db2.gz OYHDLHUDKJMXEX-IBGZPJMESA-N 2 0 345.487 2.034 20 30 EEEDRP N#Cc1ncn(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602654512 468989794 /nfs/dbraw/zinc/98/97/94/468989794.db2.gz MTPLTISVMMMBDV-FUHWJXTLSA-N 2 0 336.443 2.107 20 30 EEEDRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602522170 469348625 /nfs/dbraw/zinc/34/86/25/469348625.db2.gz RGJUTZATCOXYND-IBGZPJMESA-N 2 0 342.487 2.402 20 30 EEEDRP C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426507 469393050 /nfs/dbraw/zinc/39/30/50/469393050.db2.gz AEMAOBCXELGSJN-XLIONFOSSA-N 2 0 342.487 2.005 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000131603793 534162621 /nfs/dbraw/zinc/16/26/21/534162621.db2.gz KUDDMUGAHDFRGJ-QZTJIDSGSA-N 2 0 334.508 2.335 20 30 EEEDRP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000775344469 577435508 /nfs/dbraw/zinc/43/55/08/577435508.db2.gz IGRMLUATTALSDP-PMACEKPBSA-N 2 0 328.456 2.432 20 30 EEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461202 675911105 /nfs/dbraw/zinc/91/11/05/675911105.db2.gz ZIBWWSJTVHBSAL-AHRSYUTCSA-N 2 0 341.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C)C2)CC1 ZINC001021090354 675716249 /nfs/dbraw/zinc/71/62/49/675716249.db2.gz TYJAETMPDFYHHK-MXVIHJGJSA-N 2 0 339.483 2.077 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021667387 676321673 /nfs/dbraw/zinc/32/16/73/676321673.db2.gz DFSAEBPJXKLBDY-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682770 676338589 /nfs/dbraw/zinc/33/85/89/676338589.db2.gz TWHMCENPQDOMKF-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(=C)C)CC[C@H]32)CC1 ZINC001021739684 676398284 /nfs/dbraw/zinc/39/82/84/676398284.db2.gz LWIDPWZXKYTSMU-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703396 676747616 /nfs/dbraw/zinc/74/76/16/676747616.db2.gz GXOJOXQPDPSXRX-ROUUACIJSA-N 2 0 331.504 2.053 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971795129 676799963 /nfs/dbraw/zinc/79/99/63/676799963.db2.gz PHPQTGGTUWFVCA-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800485 676811987 /nfs/dbraw/zinc/81/19/87/676811987.db2.gz KCECELYSCYWXEB-RHSMWYFYSA-N 2 0 346.500 2.137 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411817 679295985 /nfs/dbraw/zinc/29/59/85/679295985.db2.gz JQXMNGFIYXXLDG-IEBWSBKVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554002 679374676 /nfs/dbraw/zinc/37/46/76/679374676.db2.gz DUIOASJYSGUJCO-JYJNAYRXSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763242 679567560 /nfs/dbraw/zinc/56/75/60/679567560.db2.gz GQHIDAMMGSIOLU-QGZVFWFLSA-N 2 0 327.472 2.213 20 30 EEEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479955 679962577 /nfs/dbraw/zinc/96/25/77/679962577.db2.gz VEMFNFZIBULIIH-RBUKOAKNSA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982623669 681817364 /nfs/dbraw/zinc/81/73/64/681817364.db2.gz KVVQQZOCSFDXJB-SESVDKBCSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245966 682314080 /nfs/dbraw/zinc/31/40/80/682314080.db2.gz AUJSIEIPTDVVBF-RTBURBONSA-N 2 0 343.515 2.484 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC000992798860 683479257 /nfs/dbraw/zinc/47/92/57/683479257.db2.gz JEHWQRIYJMCSMP-DJIMGWMZSA-N 2 0 331.460 2.358 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001026302074 684220074 /nfs/dbraw/zinc/22/00/74/684220074.db2.gz JMXFWULGGSEUJA-ARFHVFGLSA-N 2 0 337.895 2.194 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001026605130 684782087 /nfs/dbraw/zinc/78/20/87/684782087.db2.gz DSUJZQYTTFMJJI-VIQWUECVSA-N 2 0 340.471 2.027 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)[C@H]1c1cccs1 ZINC000262519235 686801427 /nfs/dbraw/zinc/80/14/27/686801427.db2.gz HUAJXOFLSODDMK-HIFRSBDPSA-N 2 0 338.546 2.495 20 30 EEEDRP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262620198 687605486 /nfs/dbraw/zinc/60/54/86/687605486.db2.gz CNEUXSCKBZPPKE-OAHLLOKOSA-N 2 0 335.521 2.396 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC3CCCC3)CC2)CC1 ZINC000985801554 687721667 /nfs/dbraw/zinc/72/16/67/687721667.db2.gz GRGIZFMJSJUMLX-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441059 688157959 /nfs/dbraw/zinc/15/79/59/688157959.db2.gz RHXGBJCGFWMSSA-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481455512 1181402412 /nfs/dbraw/zinc/40/24/12/1181402412.db2.gz AMNCNCYOCQHDQA-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271818991 1186520341 /nfs/dbraw/zinc/52/03/41/1186520341.db2.gz DJUSRPWFYWUWLV-LJQANCHMSA-N 2 0 329.488 2.214 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)CC1 ZINC001088430291 1186867003 /nfs/dbraw/zinc/86/70/03/1186867003.db2.gz LRPFDPCJASMVMZ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539933 1188161012 /nfs/dbraw/zinc/16/10/12/1188161012.db2.gz SYUPPQSTSWAHJL-RBUKOAKNSA-N 2 0 343.515 2.102 20 30 EEEDRP CCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272479190 1190843801 /nfs/dbraw/zinc/84/38/01/1190843801.db2.gz ZHZZOKJDZZUTCZ-LJQANCHMSA-N 2 0 337.508 2.360 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484123509 1191222895 /nfs/dbraw/zinc/22/28/95/1191222895.db2.gz AXDVVKIARCSSEL-KRWDZBQOSA-N 2 0 327.900 2.443 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332377 1196102299 /nfs/dbraw/zinc/10/22/99/1196102299.db2.gz YGWYNKJGEGWGDI-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000876723911 1199741147 /nfs/dbraw/zinc/74/11/47/1199741147.db2.gz ZTJMDLQOWGWOTH-SJORKVTESA-N 2 0 335.879 2.409 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC001134756503 1199806821 /nfs/dbraw/zinc/80/68/21/1199806821.db2.gz GMHLDIAXBSZQMX-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132824891 1200074135 /nfs/dbraw/zinc/07/41/35/1200074135.db2.gz WRMPKCUTTKPLBI-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001274507009 1205061255 /nfs/dbraw/zinc/06/12/55/1205061255.db2.gz BYAJTFAQLZMIMD-ZEVQVBBLSA-N 2 0 347.890 2.294 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000948038956 1208834207 /nfs/dbraw/zinc/83/42/07/1208834207.db2.gz CRAMYVLGSUMCNQ-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778914 1213904695 /nfs/dbraw/zinc/90/46/95/1213904695.db2.gz KCBSIQYKOGLOMA-MOPGFXCFSA-N 3 0 345.535 2.458 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001412949510 1216145739 /nfs/dbraw/zinc/14/57/39/1216145739.db2.gz VGFVFQJCWYJLMI-OALUTQOASA-N 2 0 331.460 2.024 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960715941 1216827116 /nfs/dbraw/zinc/82/71/16/1216827116.db2.gz FTMHTEQNJKKUNS-RTBURBONSA-N 2 0 342.487 2.321 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189418 1217077990 /nfs/dbraw/zinc/07/79/90/1217077990.db2.gz ZDKRYVYRNLDRKQ-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410273 1217179154 /nfs/dbraw/zinc/17/91/54/1217179154.db2.gz GFGICTPXYGCLDC-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315510 1217508285 /nfs/dbraw/zinc/50/82/85/1217508285.db2.gz UTEXWVYXXLCXHZ-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326917 1217522191 /nfs/dbraw/zinc/52/21/91/1217522191.db2.gz ZSAUSUGOGLDWOP-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000963331579 1217525670 /nfs/dbraw/zinc/52/56/70/1217525670.db2.gz OTKIMFSWOOVHQM-JCYILVPMSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=C)C)[C@@H](CC)C2)CC1 ZINC001037986269 1220919491 /nfs/dbraw/zinc/91/94/91/1220919491.db2.gz ZTORJCWNMMOYEH-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887283 1221646068 /nfs/dbraw/zinc/64/60/68/1221646068.db2.gz AEAFFBYVQLVOGH-RTBURBONSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001016725452 1226818087 /nfs/dbraw/zinc/81/80/87/1226818087.db2.gz IBYSPICCQGAHAW-QGZVFWFLSA-N 2 0 337.427 2.038 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020146125 1229509989 /nfs/dbraw/zinc/50/99/89/1229509989.db2.gz WEFFKPWKXFHYDS-FHWLQOOXSA-N 2 0 340.471 2.168 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038718497 1229994949 /nfs/dbraw/zinc/99/49/49/1229994949.db2.gz TYDBLMPNMYGELQ-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133726 1230344076 /nfs/dbraw/zinc/34/40/76/1230344076.db2.gz URCBAFUJXOYJAF-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205124 1230431968 /nfs/dbraw/zinc/43/19/68/1230431968.db2.gz KUINWGLNBOPNKE-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039437770 1230610141 /nfs/dbraw/zinc/61/01/41/1230610141.db2.gz XICOKQZJMMHPIO-GJYPPUQNSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCCF)C3)CC1 ZINC001040543642 1231284666 /nfs/dbraw/zinc/28/46/66/1231284666.db2.gz QGZYHQICWNJUFX-FQEVSTJZSA-N 2 0 349.494 2.006 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040901626 1231401097 /nfs/dbraw/zinc/40/10/97/1231401097.db2.gz OBPJUCFTVYBKPZ-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001040947759 1231408334 /nfs/dbraw/zinc/40/83/34/1231408334.db2.gz DBBSZYXUILSUSA-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285704 1231495402 /nfs/dbraw/zinc/49/54/02/1231495402.db2.gz GZJWBSNXQBPRPX-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336098 1231510853 /nfs/dbraw/zinc/51/08/53/1231510853.db2.gz IVNPKDFDBBPBRF-IBGZPJMESA-N 2 0 345.512 2.371 20 30 EEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041349497 1231515244 /nfs/dbraw/zinc/51/52/44/1231515244.db2.gz PFDDVVSTDQVNHO-AZUAARDMSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723886 1231662138 /nfs/dbraw/zinc/66/21/38/1231662138.db2.gz LWFIKDGZKYXVCU-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782583 1231692108 /nfs/dbraw/zinc/69/21/08/1231692108.db2.gz AQFGJVQUQRTPPC-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845579 1231729027 /nfs/dbraw/zinc/72/90/27/1231729027.db2.gz ISBFYTRPEJNYSO-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001045187706 1233566876 /nfs/dbraw/zinc/56/68/76/1233566876.db2.gz UBLZIIKHXFGZKX-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045200854 1233577293 /nfs/dbraw/zinc/57/72/93/1233577293.db2.gz SIXJWDDMONFSOB-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961552 1234237475 /nfs/dbraw/zinc/23/74/75/1234237475.db2.gz QYYQAYOFHCCRQE-ZJOUEHCJSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046849332 1235246618 /nfs/dbraw/zinc/24/66/18/1235246618.db2.gz CWPBHZFHXLVUFS-NRFANRHFSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046963983 1235364787 /nfs/dbraw/zinc/36/47/87/1235364787.db2.gz KZKDOVXTZGYSCR-HOTGVXAUSA-N 2 0 343.462 2.368 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047263198 1235773509 /nfs/dbraw/zinc/77/35/09/1235773509.db2.gz BKTYRABIJSNUIY-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048557563 1237958647 /nfs/dbraw/zinc/95/86/47/1237958647.db2.gz PPAZRYZJJYMCLZ-AKHDSKFASA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048887612 1239143104 /nfs/dbraw/zinc/14/31/04/1239143104.db2.gz CZPCELQNVUMAKD-VVLHAWIVSA-N 2 0 337.895 2.146 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186726 1240041801 /nfs/dbraw/zinc/04/18/01/1240041801.db2.gz VWNDIWFVZAXECS-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000317844 1240164759 /nfs/dbraw/zinc/16/47/59/1240164759.db2.gz QWSHQIXCDDUIKC-HKUYNNGSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171011 1240174247 /nfs/dbraw/zinc/17/42/47/1240174247.db2.gz IAZYXUAUEUCEEE-NCOADZHNSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514653 1241189426 /nfs/dbraw/zinc/18/94/26/1241189426.db2.gz IFYLXYKLFVDNQT-GUDVDZBRSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525451 1241249552 /nfs/dbraw/zinc/24/95/52/1241249552.db2.gz QPHGHBMSGOREIZ-VAMGGRTRSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615705 1241653398 /nfs/dbraw/zinc/65/33/98/1241653398.db2.gz NKWDCBLWMQYFSC-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050632407 1243995583 /nfs/dbraw/zinc/99/55/83/1243995583.db2.gz JQOOWMWNFKLGPQ-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@H](C)CC)CC3)CC1 ZINC001050765109 1244318206 /nfs/dbraw/zinc/31/82/06/1244318206.db2.gz JZZRGMCIFLKMGZ-GOSISDBHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052704107 1244790755 /nfs/dbraw/zinc/79/07/55/1244790755.db2.gz ZSPNKBIXQVDUNC-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)CC2)CC1 ZINC001052952054 1245541421 /nfs/dbraw/zinc/54/14/21/1245541421.db2.gz BJHCYOLXFIRQET-INDRUJQFSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC001052957638 1245555526 /nfs/dbraw/zinc/55/55/26/1245555526.db2.gz IGGBCRLHWNYBFB-QZTJIDSGSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342915 1245688036 /nfs/dbraw/zinc/68/80/36/1245688036.db2.gz UMVMJFKNBUBFJI-LMMKCTJWSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032967 1245725506 /nfs/dbraw/zinc/72/55/06/1245725506.db2.gz QKZUETCSHBWQSB-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108023 1245927959 /nfs/dbraw/zinc/92/79/59/1245927959.db2.gz ONGSTWWIVMUKEX-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001101547524 1245951259 /nfs/dbraw/zinc/95/12/59/1245951259.db2.gz FHMPBMCWOBCSMN-SFHVURJKSA-N 2 0 347.547 2.452 20 30 EEEDRP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054058489 1247264231 /nfs/dbraw/zinc/26/42/31/1247264231.db2.gz NGWBKZDIEWZVFX-IBGZPJMESA-N 2 0 339.483 2.201 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054146786 1247525058 /nfs/dbraw/zinc/52/50/58/1247525058.db2.gz IPBFVYXEUUWVSB-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174569 1247610626 /nfs/dbraw/zinc/61/06/26/1247610626.db2.gz ULGNSOYRHBACJW-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244843 1247858182 /nfs/dbraw/zinc/85/81/82/1247858182.db2.gz JUJLCOUWFKWHLP-FQEVSTJZSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245194 1247860764 /nfs/dbraw/zinc/86/07/64/1247860764.db2.gz PNHPAKHJYPFIMY-HXUWFJFHSA-N 2 0 331.504 2.200 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175796 1254030839 /nfs/dbraw/zinc/03/08/39/1254030839.db2.gz LEGSEUVQFNIXRM-MJGOQNOKSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783902 1278781093 /nfs/dbraw/zinc/78/10/93/1278781093.db2.gz LBHNSJGYVYZOCR-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001188158199 1279791169 /nfs/dbraw/zinc/79/11/69/1279791169.db2.gz GUKCGESKYASFLW-GOSISDBHSA-N 2 0 347.890 2.222 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001197188167 1284479067 /nfs/dbraw/zinc/47/90/67/1284479067.db2.gz TYZVEIIASREZMS-GVDBMIGSSA-N 2 0 330.476 2.413 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001071063270 1286745607 /nfs/dbraw/zinc/74/56/07/1286745607.db2.gz MYRITCGIJUOSCL-NSHGMRRFSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391133 1289556034 /nfs/dbraw/zinc/55/60/34/1289556034.db2.gz XVGULKULZAZORA-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973990 1295057623 /nfs/dbraw/zinc/05/76/23/1295057623.db2.gz JTMZOOCJTOAKGP-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603395 1297300203 /nfs/dbraw/zinc/30/02/03/1297300203.db2.gz FPOSDKPHAVECAQ-MJGOQNOKSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603396 1297300713 /nfs/dbraw/zinc/30/07/13/1297300713.db2.gz FPOSDKPHAVECAQ-PKOBYXMFSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)CCC=C)C[C@H]32)CC1 ZINC001222044126 1299298956 /nfs/dbraw/zinc/29/89/56/1299298956.db2.gz PQPBCBDCLOTTMX-MISYRCLQSA-N 2 0 343.515 2.219 20 30 EEEDRP C#CCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979728 1300638906 /nfs/dbraw/zinc/63/89/06/1300638906.db2.gz LUXATMOZXXXSAR-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001228054477 1302077201 /nfs/dbraw/zinc/07/72/01/1302077201.db2.gz RBSDGGOEKJNWSC-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592366 1303300378 /nfs/dbraw/zinc/30/03/78/1303300378.db2.gz ZZVZDTWSSDEFDF-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103756964 1303302497 /nfs/dbraw/zinc/30/24/97/1303302497.db2.gz HIXVPMYNWVMAPN-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829930 1303486568 /nfs/dbraw/zinc/48/65/68/1303486568.db2.gz RTOAMBXXKOWKAY-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP N#CCCC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3CC4CC[NH+]3CC4)(C1)CCC2 ZINC001277941068 1305210616 /nfs/dbraw/zinc/21/06/16/1305210616.db2.gz JRBRQMHFHGIRBG-YSIASYRMSA-N 2 0 344.503 2.326 20 30 EEEDRP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCCC[NH3+])C3)C2)c1 ZINC001235638169 1305310787 /nfs/dbraw/zinc/31/07/87/1305310787.db2.gz WOBGIPWUTSJWSH-HXUWFJFHSA-N 2 0 342.487 2.216 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001115766113 1305748672 /nfs/dbraw/zinc/74/86/72/1305748672.db2.gz WDKIFTNZBDSOER-INIZCTEOSA-N 2 0 348.491 2.200 20 30 EEEDRP CCc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1C#N ZINC001278034749 1305754328 /nfs/dbraw/zinc/75/43/28/1305754328.db2.gz XCZHCFBBCTXPGM-PMACEKPBSA-N 2 0 326.488 2.331 20 30 EEEDRP C#CC[N@@H+](C)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237094612 1305793393 /nfs/dbraw/zinc/79/33/93/1305793393.db2.gz CJBXTQKQKWDCJD-UHFFFAOYSA-N 2 0 336.277 2.266 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470687 1309566835 /nfs/dbraw/zinc/56/68/35/1309566835.db2.gz SVNJDJJJIURCQS-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001160867057 1320296040 /nfs/dbraw/zinc/29/60/40/1320296040.db2.gz DXXZQTZKLSKLSY-RHSMWYFYSA-N 2 0 346.500 2.233 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847709 1316065478 /nfs/dbraw/zinc/06/54/78/1316065478.db2.gz HVXYRAFTEOJSTK-IRXDYDNUSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150395677 1316256538 /nfs/dbraw/zinc/25/65/38/1316256538.db2.gz WELAPBKLFQPBAB-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715810 1316352138 /nfs/dbraw/zinc/35/21/38/1316352138.db2.gz MNZMELBDQBTSJB-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+]1CCCC1 ZINC001152473676 1316676722 /nfs/dbraw/zinc/67/67/22/1316676722.db2.gz XVFYDJQHPXWVHB-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033788 1316941466 /nfs/dbraw/zinc/94/14/66/1316941466.db2.gz MWEMEMFJNRJZCC-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255583 1317524558 /nfs/dbraw/zinc/52/45/58/1317524558.db2.gz USZLANBFVZDAEV-RTBURBONSA-N 2 0 341.499 2.207 20 30 EEEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552427 1317634845 /nfs/dbraw/zinc/63/48/45/1317634845.db2.gz JSJCVDSBNIMDAW-RTBURBONSA-N 2 0 345.487 2.074 20 30 EEEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029599 1318975934 /nfs/dbraw/zinc/97/59/34/1318975934.db2.gz KKEWRZWAINGSRD-SJORKVTESA-N 2 0 325.472 2.003 20 30 EEEDRP N#Cc1cc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc(C2C[NH2+]C2)c1 ZINC001159347498 1319753712 /nfs/dbraw/zinc/75/37/12/1319753712.db2.gz WMGORLYOAUTEKE-QGZVFWFLSA-N 2 0 335.411 2.124 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786654 1320267908 /nfs/dbraw/zinc/26/79/08/1320267908.db2.gz BOSJXRGIUKTONE-IBGZPJMESA-N 2 0 329.488 2.023 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001162856452 1320976253 /nfs/dbraw/zinc/97/62/53/1320976253.db2.gz HORHKJXHABJFJB-UHFFFAOYSA-N 2 0 341.499 2.462 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1cncn1C ZINC001162992865 1321007538 /nfs/dbraw/zinc/00/75/38/1321007538.db2.gz ZTTOXGHQKMEKCI-UHFFFAOYSA-N 2 0 340.471 2.200 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCCC[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001163297421 1321090373 /nfs/dbraw/zinc/09/03/73/1321090373.db2.gz LXBUHDXGIKSCBZ-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001163467041 1321133358 /nfs/dbraw/zinc/13/33/58/1321133358.db2.gz ZRXMKIKXXILALG-UHFFFAOYSA-N 2 0 344.850 2.265 20 30 EEEDRP C=CCCCCC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166930441 1321819554 /nfs/dbraw/zinc/81/95/54/1321819554.db2.gz FDQBWGRNTJMCRO-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC=C(C)C)C23CCC3)CC1 ZINC001203770538 1321957292 /nfs/dbraw/zinc/95/72/92/1321957292.db2.gz HDTFKIMRDKQFOE-RTBURBONSA-N 2 0 343.515 2.315 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668558 1323236812 /nfs/dbraw/zinc/23/68/12/1323236812.db2.gz FHBHTRFHFDIEQR-FUHWJXTLSA-N 2 0 333.451 2.238 20 30 EEEDRP N#CCc1cccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001320491060 1332895963 /nfs/dbraw/zinc/89/59/63/1332895963.db2.gz PXXNOQIVLPXRQL-UHFFFAOYSA-N 2 0 336.443 2.167 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001367360329 1374154759 /nfs/dbraw/zinc/15/47/59/1374154759.db2.gz QUNSJDFJABFHQH-CYBMUJFWSA-N 2 0 334.489 2.041 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001367906425 1374305480 /nfs/dbraw/zinc/30/54/80/1374305480.db2.gz BAHQFMXKQWAZQC-DLBZAZTESA-N 2 0 348.516 2.190 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001369278928 1374523659 /nfs/dbraw/zinc/52/36/59/1374523659.db2.gz UFNHTJVKMMKAOV-RDTXWAMCSA-N 2 0 348.466 2.220 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001376584360 1378613008 /nfs/dbraw/zinc/61/30/08/1378613008.db2.gz XANNMGQGUKZNJS-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394043 1379201235 /nfs/dbraw/zinc/20/12/35/1379201235.db2.gz YCRUYBHRPCEGFH-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001378895443 1380245227 /nfs/dbraw/zinc/24/52/27/1380245227.db2.gz IQFMQORTNSHKPP-JSGCOSHPSA-N 2 0 346.313 2.063 20 30 EEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001391364695 1389317705 /nfs/dbraw/zinc/31/77/05/1389317705.db2.gz WQHVSBKQIULNJJ-HNNXBMFYSA-N 2 0 325.884 2.148 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001391825180 1389634871 /nfs/dbraw/zinc/63/48/71/1389634871.db2.gz BJXANBDCARFKPT-FHWLQOOXSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752801605 1406422245 /nfs/dbraw/zinc/42/22/45/1406422245.db2.gz PULVHPHSNGMRGS-QGZVFWFLSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401703739 1397520931 /nfs/dbraw/zinc/52/09/31/1397520931.db2.gz BRZZYPLMDBDUSH-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423958844 1400826552 /nfs/dbraw/zinc/82/65/52/1400826552.db2.gz XDLIQRHXILLGEQ-KGLIPLIRSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001424303283 1401039082 /nfs/dbraw/zinc/03/90/82/1401039082.db2.gz WBGOIWSCYYGHCJ-GOSISDBHSA-N 2 0 330.476 2.179 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC001755852237 1407904426 /nfs/dbraw/zinc/90/44/26/1407904426.db2.gz QLLRKTZCVKPKHP-UONOGXRCSA-N 2 0 345.409 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3CCC3)[C@H](C)C2)CC1 ZINC001075367591 757449375 /nfs/dbraw/zinc/44/93/75/757449375.db2.gz UZNRQEKWGKCZPI-XLIONFOSSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210613836 758071184 /nfs/dbraw/zinc/07/11/84/758071184.db2.gz BVKAGDMSHFCUPA-QUCCMNQESA-N 2 0 327.472 2.067 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001167628247 760773963 /nfs/dbraw/zinc/77/39/63/760773963.db2.gz YAPHJOHGLHTRIY-IBGZPJMESA-N 2 0 342.487 2.417 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087302898 761540139 /nfs/dbraw/zinc/54/01/39/761540139.db2.gz BYPXDZAVKMKIRZ-BHIYHBOVSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993788 782736556 /nfs/dbraw/zinc/73/65/56/782736556.db2.gz CXUCGDLFGBZEDY-AOIWGVFYSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001112529938 770344940 /nfs/dbraw/zinc/34/49/40/770344940.db2.gz WADBMAZCLKQCNX-VDGAXYAQSA-N 2 0 349.494 2.050 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212575 783065840 /nfs/dbraw/zinc/06/58/40/783065840.db2.gz AJDVCSMMESPDGK-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097386 783096796 /nfs/dbraw/zinc/09/67/96/783096796.db2.gz IFNUWEGNKMPKPS-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649287 773776258 /nfs/dbraw/zinc/77/62/58/773776258.db2.gz GOYFDWRSBKQRCC-IRXDYDNUSA-N 2 0 342.487 2.391 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980221676 774114542 /nfs/dbraw/zinc/11/45/42/774114542.db2.gz RVXIAKFKQUPFIN-UFYCRDLUSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531806 790357378 /nfs/dbraw/zinc/35/73/78/790357378.db2.gz IXONNERSDGYOLS-XLIONFOSSA-N 2 0 343.471 2.209 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]C)C1 ZINC000261622007 779479419 /nfs/dbraw/zinc/47/94/19/779479419.db2.gz HZNKFDFUHGZUAL-FJIDUMEYSA-N 2 0 348.535 2.183 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(CC)CC)CC1 ZINC001028332969 780771934 /nfs/dbraw/zinc/77/19/34/780771934.db2.gz AFZLIBDISFMVKQ-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089860926 780868747 /nfs/dbraw/zinc/86/87/47/780868747.db2.gz CNHLMQSXLACLII-MLHJIOFPSA-N 2 0 331.504 2.073 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793553 781606674 /nfs/dbraw/zinc/60/66/74/781606674.db2.gz IYTWDUOJNRGIBE-JENIJYKNSA-N 2 0 331.504 2.360 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1CC#Cc1ccccc1 ZINC001087519337 781650089 /nfs/dbraw/zinc/65/00/89/781650089.db2.gz JUODZXWEUYDKRY-ZCNNSNEGSA-N 2 0 339.483 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044797134 783434458 /nfs/dbraw/zinc/43/44/58/783434458.db2.gz PADHULIMQIXRLK-HZPDHXFCSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(C#N)s2)cc1 ZINC001135340666 783605698 /nfs/dbraw/zinc/60/56/98/783605698.db2.gz FNFJCIHCRQXNPS-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001135390175 783710644 /nfs/dbraw/zinc/71/06/44/783710644.db2.gz HWEVUHQSJURICO-HZPDHXFCSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135390631 783711365 /nfs/dbraw/zinc/71/13/65/783711365.db2.gz LUXXCPONAMMBBH-HZPDHXFCSA-N 2 0 342.487 2.273 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184407 784020465 /nfs/dbraw/zinc/02/04/65/784020465.db2.gz JPXFZIJMMSONFK-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035754666 785063756 /nfs/dbraw/zinc/06/37/56/785063756.db2.gz GMQCTFMZRCPDKJ-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203456190 788044418 /nfs/dbraw/zinc/04/44/18/788044418.db2.gz QXNDIOXFIXGFAO-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001171162359 789577467 /nfs/dbraw/zinc/57/74/67/789577467.db2.gz VXQCAUMCJSFTQN-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C(F)(F)F ZINC001112103374 789784727 /nfs/dbraw/zinc/78/47/27/789784727.db2.gz BXMVUHUBAJDABQ-GBJTYRQASA-N 2 0 347.425 2.272 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595001 791366411 /nfs/dbraw/zinc/36/64/11/791366411.db2.gz WDBKYERTUJXSOI-KGLIPLIRSA-N 2 0 336.505 2.333 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001147358618 791798439 /nfs/dbraw/zinc/79/84/39/791798439.db2.gz HILTWEQNVQUHLI-HXUWFJFHSA-N 2 0 341.499 2.399 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687300 792232621 /nfs/dbraw/zinc/23/26/21/792232621.db2.gz ZYKLAIZGKAISBB-RMJJICAUSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086934657 793074242 /nfs/dbraw/zinc/07/42/42/793074242.db2.gz WPMYYNCRAOTKTA-PKOBYXMFSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951195 793083025 /nfs/dbraw/zinc/08/30/25/793083025.db2.gz XBMWVIQVAKRXRF-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408527 793389448 /nfs/dbraw/zinc/38/94/48/793389448.db2.gz VFLOWOLSOXRIAG-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC000999437000 794462183 /nfs/dbraw/zinc/46/21/83/794462183.db2.gz WCEBGVXDCDTEBF-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754946 794785286 /nfs/dbraw/zinc/78/52/86/794785286.db2.gz OGXCKMUQETZJQP-WMZOPIPTSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836347 795347515 /nfs/dbraw/zinc/34/75/15/795347515.db2.gz PJDVNVGGIFZKDI-DLBZAZTESA-N 2 0 339.911 2.394 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC001000201998 795495427 /nfs/dbraw/zinc/49/54/27/795495427.db2.gz ITKCIMLJKYUVLL-UHFFFAOYSA-N 2 0 336.439 2.332 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022049 795617844 /nfs/dbraw/zinc/61/78/44/795617844.db2.gz CEORYNVPOQJHBW-IEBWSBKVSA-N 2 0 339.524 2.280 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)[NH+](C)C ZINC001094049232 795893221 /nfs/dbraw/zinc/89/32/21/795893221.db2.gz NJZYOLWTXDUAAG-LZQZEXGQSA-N 2 0 342.487 2.083 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)[NH+](C)C ZINC001094049183 795893659 /nfs/dbraw/zinc/89/36/59/795893659.db2.gz LIFVEEMWBUFELG-LZQZEXGQSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCC)C2)CC1 ZINC001036901963 796438524 /nfs/dbraw/zinc/43/85/24/796438524.db2.gz BLXLKPHQYMFQGW-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081180058 796679687 /nfs/dbraw/zinc/67/96/87/796679687.db2.gz YCTARJWZQPIBIW-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078818946 797023798 /nfs/dbraw/zinc/02/37/98/797023798.db2.gz GASGWCNXZOGTTA-QZTJIDSGSA-N 2 0 325.456 2.012 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001680439 797106826 /nfs/dbraw/zinc/10/68/26/797106826.db2.gz LQEAUPAIBUZOER-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C[NH+](C)CCC(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426923 797448502 /nfs/dbraw/zinc/44/85/02/797448502.db2.gz LSVAQQCWEUBRER-UHFFFAOYSA-N 2 0 342.487 2.483 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001002144415 797622297 /nfs/dbraw/zinc/62/22/97/797622297.db2.gz FLAWANHIGMNVLF-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994490626 798083872 /nfs/dbraw/zinc/08/38/72/798083872.db2.gz WCZVMRWUMGUWSK-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494872 798094175 /nfs/dbraw/zinc/09/41/75/798094175.db2.gz FWDNIIRKHKWIGA-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176601073 798516111 /nfs/dbraw/zinc/51/61/11/798516111.db2.gz RXCRUHWLVSQCBF-ROUUACIJSA-N 2 0 339.524 2.186 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176986403 798675566 /nfs/dbraw/zinc/67/55/66/798675566.db2.gz NBYDTTDNUXGEKX-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001177316694 798854979 /nfs/dbraw/zinc/85/49/79/798854979.db2.gz FWJRRQXQSZHBDE-IBGZPJMESA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001178693024 799587411 /nfs/dbraw/zinc/58/74/11/799587411.db2.gz HSWIPMQBIXMXMG-SFHVURJKSA-N 2 0 337.508 2.082 20 30 EEEDRP CC#CC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178894490 799678232 /nfs/dbraw/zinc/67/82/32/799678232.db2.gz FHOYPMQNMZFFLX-UHFFFAOYSA-N 2 0 330.476 2.197 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179071107 799769247 /nfs/dbraw/zinc/76/92/47/799769247.db2.gz ADDKIEDRGHYYKE-FDYSRKEFSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCC[NH+](C)C ZINC001179435136 799920370 /nfs/dbraw/zinc/92/03/70/799920370.db2.gz KMODJTWNKWPPMN-BBRMVZONSA-N 2 0 334.489 2.041 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728653 800882251 /nfs/dbraw/zinc/88/22/51/800882251.db2.gz PWVWJSKHMMZLCX-WSTZPKSXSA-N 2 0 333.520 2.347 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670305 801287166 /nfs/dbraw/zinc/28/71/66/801287166.db2.gz OUXZIZOQLUBELD-QGZVFWFLSA-N 2 0 349.523 2.219 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001183043769 801438379 /nfs/dbraw/zinc/43/83/79/801438379.db2.gz YKPKVGZOSSEVPS-KRWDZBQOSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586359 801461100 /nfs/dbraw/zinc/46/11/00/801461100.db2.gz DYZOGRULPUTQCE-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001183353995 801562998 /nfs/dbraw/zinc/56/29/98/801562998.db2.gz KXVSCUBCARTNFL-CABCVRRESA-N 2 0 345.409 2.007 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590388 801606391 /nfs/dbraw/zinc/60/63/91/801606391.db2.gz AQLKJSKNCVVDCR-CEXWTWQISA-N 2 0 331.504 2.075 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001184692209 802128820 /nfs/dbraw/zinc/12/88/20/802128820.db2.gz FSEQLWNBRNTASW-MSOLQXFVSA-N 2 0 342.487 2.005 20 30 EEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000186597542 802130285 /nfs/dbraw/zinc/13/02/85/802130285.db2.gz GVIYAMPVMHXZIW-IRXDYDNUSA-N 2 0 330.476 2.266 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086119357 802215943 /nfs/dbraw/zinc/21/59/43/802215943.db2.gz KPGCEONHOMRXFX-XUWVNRHRSA-N 2 0 325.884 2.240 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001185072768 802336765 /nfs/dbraw/zinc/33/67/65/802336765.db2.gz KGFQGPSDULKTFJ-QUCCMNQESA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC)CC2)CC1 ZINC001004618931 802496245 /nfs/dbraw/zinc/49/62/45/802496245.db2.gz IEZBGIQWTYJQNG-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354985 803359546 /nfs/dbraw/zinc/35/95/46/803359546.db2.gz SNZMIGWHOIZGHK-HKUYNNGSSA-N 2 0 339.524 2.280 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169807967 804083348 /nfs/dbraw/zinc/08/33/48/804083348.db2.gz AHDBIEKABCWBIR-VQIMIIECSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809142 804086610 /nfs/dbraw/zinc/08/66/10/804086610.db2.gz FSNQOWLIGJCDSP-YOEHRIQHSA-N 2 0 348.516 2.479 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809512 804086756 /nfs/dbraw/zinc/08/67/56/804086756.db2.gz IESOJBIYLLPPSW-QUCCMNQESA-N 2 0 341.499 2.397 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001170211894 809814941 /nfs/dbraw/zinc/81/49/41/809814941.db2.gz QKKXFOBVNKUGIM-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP Cc1c(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)ccc2c[nH+]cn21 ZINC001130656424 811907011 /nfs/dbraw/zinc/90/70/11/811907011.db2.gz PSFHDHJLDZJKTP-UHFFFAOYSA-N 2 0 333.395 2.034 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131701514 813133355 /nfs/dbraw/zinc/13/33/55/813133355.db2.gz WKMSKBUGPRIXIZ-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CN1C(=O)CCC[NH+](C)C ZINC001449036589 1094049270 /nfs/dbraw/zinc/04/92/70/1094049270.db2.gz WKXJMWXBNXSEAZ-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496238874 1100806591 /nfs/dbraw/zinc/80/65/91/1100806591.db2.gz OTKDOIJKWGIKEZ-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416711 1115258740 /nfs/dbraw/zinc/25/87/40/1115258740.db2.gz QBVQOOXLYMUAOT-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000104160699 237084717 /nfs/dbraw/zinc/08/47/17/237084717.db2.gz GQFALBVEOAMZGB-GOSISDBHSA-N 2 0 331.508 2.302 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CC[NH+](C)CC1 ZINC000105465616 237091785 /nfs/dbraw/zinc/09/17/85/237091785.db2.gz OXZOEZXVIHHQRL-QGZVFWFLSA-N 2 0 330.476 2.095 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396904 781962512 /nfs/dbraw/zinc/96/25/12/781962512.db2.gz YPRQFWYBUPKUTF-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000115255658 462702602 /nfs/dbraw/zinc/70/26/02/462702602.db2.gz UFLHLQGXYRMJOV-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP CC1CC[NH+](CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000135365635 463147602 /nfs/dbraw/zinc/14/76/02/463147602.db2.gz YHBCFXVBJBUVGZ-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP N#CCCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159331672 463280049 /nfs/dbraw/zinc/28/00/49/463280049.db2.gz LQCJKEGKWZKTJL-UHFFFAOYSA-N 2 0 334.508 2.384 20 30 EEEDRP COc1ccccc1CNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000170905093 463737782 /nfs/dbraw/zinc/73/77/82/463737782.db2.gz JTIRGNPPQQVEID-UHFFFAOYSA-N 2 0 326.444 2.361 20 30 EEEDRP CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764432 463874829 /nfs/dbraw/zinc/87/48/29/463874829.db2.gz CJUWRPNLQBTULH-IXDOHACOSA-N 2 0 334.508 2.237 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185885690 463899115 /nfs/dbraw/zinc/89/91/15/463899115.db2.gz NUIISCNAHIWOFJ-WMZOPIPTSA-N 2 0 328.460 2.150 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCC(C(N)=O)CC2)cc1C ZINC000264078201 464279421 /nfs/dbraw/zinc/27/94/21/464279421.db2.gz GLCFOKZCGVHJCQ-UHFFFAOYSA-N 2 0 345.491 2.008 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000264104486 464284034 /nfs/dbraw/zinc/28/40/34/464284034.db2.gz PCQLBSUCTFILPO-INIZCTEOSA-N 2 0 331.508 2.027 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264135494 464287203 /nfs/dbraw/zinc/28/72/03/464287203.db2.gz ZPVWDGDQKPACAG-HUUCEWRRSA-N 2 0 348.491 2.229 20 30 EEEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293712049 464418310 /nfs/dbraw/zinc/41/83/10/464418310.db2.gz DYJBWBOEAGAZPP-ROUUACIJSA-N 2 0 342.487 2.441 20 30 EEEDRP CC#CCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000360443285 465567136 /nfs/dbraw/zinc/56/71/36/465567136.db2.gz FDLOWRAPCYWGKK-UHFFFAOYSA-N 2 0 341.499 2.360 20 30 EEEDRP C=CCc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc(OC)c1O ZINC000346684883 466128991 /nfs/dbraw/zinc/12/89/91/466128991.db2.gz RXRCITRGFSHQAA-UHFFFAOYSA-N 2 0 334.460 2.459 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000417068063 466770401 /nfs/dbraw/zinc/77/04/01/466770401.db2.gz SDXCSVBXTYQWTG-IPMKNSEASA-N 2 0 348.535 2.372 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113443 468144304 /nfs/dbraw/zinc/14/43/04/468144304.db2.gz ZLFIQMSZARVLCZ-OALUTQOASA-N 2 0 345.487 2.060 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600724797 468637648 /nfs/dbraw/zinc/63/76/48/468637648.db2.gz OQOYDCRDEGRXAN-SFHVURJKSA-N 2 0 331.460 2.010 20 30 EEEDRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000570837076 468702105 /nfs/dbraw/zinc/70/21/05/468702105.db2.gz PRLVWIGUKNJLDG-WMZOPIPTSA-N 2 0 331.460 2.152 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968438 469593747 /nfs/dbraw/zinc/59/37/47/469593747.db2.gz ZIJMLLCKMBYIGQ-SJORKVTESA-N 2 0 334.508 2.126 20 30 EEEDRP CC#CC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641767026 470472932 /nfs/dbraw/zinc/47/29/32/470472932.db2.gz FWISHSKKRUYFPW-GOSISDBHSA-N 2 0 329.488 2.081 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654431581 471957126 /nfs/dbraw/zinc/95/71/26/471957126.db2.gz REEMBODPIBDICG-ROUUACIJSA-N 2 0 334.508 2.343 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000644669300 485499113 /nfs/dbraw/zinc/49/91/13/485499113.db2.gz VPNNRALZGZOKAK-MJGOQNOKSA-N 2 0 332.488 2.476 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000171907817 526434483 /nfs/dbraw/zinc/43/44/83/526434483.db2.gz WMLRDOCUVKFBEZ-KRWDZBQOSA-N 2 0 344.503 2.457 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767926543 577547373 /nfs/dbraw/zinc/54/73/73/577547373.db2.gz LPQJQUPOFVWKLH-PMACEKPBSA-N 2 0 328.456 2.166 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000764541127 577738464 /nfs/dbraw/zinc/73/84/64/577738464.db2.gz PRPJNOPCNLJGEW-UHFFFAOYSA-N 2 0 325.840 2.337 20 30 EEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683362 675166077 /nfs/dbraw/zinc/16/60/77/675166077.db2.gz ZGJBHCAWOPPUCV-IAGOWNOFSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803668 676161995 /nfs/dbraw/zinc/16/19/95/676161995.db2.gz KVCFKCYKILTRFZ-CVEARBPZSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000891921005 677703287 /nfs/dbraw/zinc/70/32/87/677703287.db2.gz HEPRUKYEWGQPNG-PKOBYXMFSA-N 2 0 348.535 2.271 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336284 678565086 /nfs/dbraw/zinc/56/50/86/678565086.db2.gz VSDKNOHKLQWNLR-YJBOKZPZSA-N 2 0 325.472 2.308 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569201 679394809 /nfs/dbraw/zinc/39/48/09/679394809.db2.gz TVQNZIHIJHNCNW-PKOBYXMFSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972636001 679472140 /nfs/dbraw/zinc/47/21/40/679472140.db2.gz WKBKPUUXBSYIGS-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3ccccc3)N(C)C)C[C@@]2(C)C1 ZINC000982834349 681356991 /nfs/dbraw/zinc/35/69/91/681356991.db2.gz XJBDYIWLRLLEDP-NRSPTQNISA-N 2 0 339.483 2.093 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709962 681947331 /nfs/dbraw/zinc/94/73/31/681947331.db2.gz GLJOXDMJIOQWNL-QGZVFWFLSA-N 2 0 329.488 2.419 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288974 682397032 /nfs/dbraw/zinc/39/70/32/682397032.db2.gz NVTPCMDRJMUNLJ-MOPGFXCFSA-N 2 0 340.471 2.240 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597494 683081001 /nfs/dbraw/zinc/08/10/01/683081001.db2.gz RAIMEWQOAOQZKO-GJZGRUSLSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000992815359 683516453 /nfs/dbraw/zinc/51/64/53/683516453.db2.gz MGFGZYPTOPXXMZ-BRWVUGGUSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(=C)C)[C@H]3C2)CC1 ZINC000992923912 683655184 /nfs/dbraw/zinc/65/51/84/683655184.db2.gz JBRNDZWBGFDETH-SLFFLAALSA-N 2 0 343.515 2.124 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000983901969 683749439 /nfs/dbraw/zinc/74/94/39/683749439.db2.gz PTPOYCWTOLDYAB-FHWLQOOXSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598249 685092386 /nfs/dbraw/zinc/09/23/86/685092386.db2.gz BEAFTZZGBREBBN-HKUYNNGSSA-N 2 0 345.531 2.491 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027042466 685734220 /nfs/dbraw/zinc/73/42/20/685734220.db2.gz GCBLLTXSTZTAFB-RBUKOAKNSA-N 2 0 342.487 2.083 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc2c1OCC2 ZINC000262402224 685781308 /nfs/dbraw/zinc/78/13/08/685781308.db2.gz VKMKCMOGRNGOGW-HNNXBMFYSA-N 2 0 336.867 2.164 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327387 686328773 /nfs/dbraw/zinc/32/87/73/686328773.db2.gz GIYVAQTZMLRHDA-QGZVFWFLSA-N 2 0 346.500 2.137 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040358082 694028782 /nfs/dbraw/zinc/02/87/82/694028782.db2.gz VHPZJQQHWSESAD-BJLQDIEVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979094345 694175219 /nfs/dbraw/zinc/17/52/19/694175219.db2.gz YPLPRIQBDFSSKZ-LDLYASANSA-N 2 0 327.472 2.232 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000986547672 688685208 /nfs/dbraw/zinc/68/52/08/688685208.db2.gz HDCSZNNWVNTZTQ-GOEBONIOSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539611 1188160912 /nfs/dbraw/zinc/16/09/12/1188160912.db2.gz LJZHBJZMFAGCPF-GUDVDZBRSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105575009 1188189066 /nfs/dbraw/zinc/18/90/66/1188189066.db2.gz OVXYLSGBNFEMHW-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c3ccncc23)C1=O ZINC001272674265 1191016693 /nfs/dbraw/zinc/01/66/93/1191016693.db2.gz WZJXWEMTYCGFBX-IBGZPJMESA-N 2 0 337.427 2.434 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485264215 1191710418 /nfs/dbraw/zinc/71/04/18/1191710418.db2.gz CVZAMFWVLZKNCU-GOSISDBHSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115428 1195757965 /nfs/dbraw/zinc/75/79/65/1195757965.db2.gz QBFGXKRZQHEQSN-IBGZPJMESA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001034644778 1196465986 /nfs/dbraw/zinc/46/59/86/1196465986.db2.gz NKYPIOKEUHDMMT-KZNAEPCWSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202227 1199446035 /nfs/dbraw/zinc/44/60/35/1199446035.db2.gz DYGGRLMYFDIXAI-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001134584515 1199673439 /nfs/dbraw/zinc/67/34/39/1199673439.db2.gz UVEXKRXDYYITCT-KGLIPLIRSA-N 2 0 348.516 2.477 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165659 1200539348 /nfs/dbraw/zinc/53/93/48/1200539348.db2.gz KWKXKOPXTCMOHK-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)c1 ZINC001276098121 1205779234 /nfs/dbraw/zinc/77/92/34/1205779234.db2.gz XYKFYDCGYZVYLY-UHFFFAOYSA-N 2 0 339.483 2.044 20 30 EEEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924918834 1206050868 /nfs/dbraw/zinc/05/08/68/1206050868.db2.gz FEVAWBJWPIOMRG-OAHLLOKOSA-N 2 0 330.476 2.396 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957563187 1215213459 /nfs/dbraw/zinc/21/34/59/1215213459.db2.gz ADGCDEIGEZQEJV-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000959923724 1216233667 /nfs/dbraw/zinc/23/36/67/1216233667.db2.gz HFEQVAZPZFFQSW-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960273779 1216464130 /nfs/dbraw/zinc/46/41/30/1216464130.db2.gz SYVPTZXBORCPPL-GUDVDZBRSA-N 2 0 327.472 2.419 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960487429 1216622097 /nfs/dbraw/zinc/62/20/97/1216622097.db2.gz NDOQRRWYEVTABJ-YOEHRIQHSA-N 2 0 346.500 2.137 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960487423 1216622123 /nfs/dbraw/zinc/62/21/23/1216622123.db2.gz NDOQRRWYEVTABJ-RHSMWYFYSA-N 2 0 346.500 2.137 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289577 1217130561 /nfs/dbraw/zinc/13/05/61/1217130561.db2.gz BWENKXABGRAQPC-MOPGFXCFSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961367009 1217160452 /nfs/dbraw/zinc/16/04/52/1217160452.db2.gz KPXXAOQIIBKHFC-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373056 1217162449 /nfs/dbraw/zinc/16/24/49/1217162449.db2.gz FWKLGQPOGHWDOD-OALUTQOASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411914 1217179917 /nfs/dbraw/zinc/17/99/17/1217179917.db2.gz QLUJPBRQDGSLHG-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434514 1217188867 /nfs/dbraw/zinc/18/88/67/1217188867.db2.gz GHJFMJVZLDTMKU-HXUWFJFHSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352483 1217546993 /nfs/dbraw/zinc/54/69/93/1217546993.db2.gz NPNIPOHXTLLLRG-SJLPKXTDSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001037942468 1220579483 /nfs/dbraw/zinc/57/94/83/1220579483.db2.gz UCTSXKXCKVUYNK-PKOBYXMFSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894321 1222488595 /nfs/dbraw/zinc/48/85/95/1222488595.db2.gz HWYTYVSGUWPVKH-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697132 1226791836 /nfs/dbraw/zinc/79/18/36/1226791836.db2.gz DFFCZMWDIUYBTD-GOSISDBHSA-N 2 0 336.439 2.250 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016982810 1227012824 /nfs/dbraw/zinc/01/28/24/1227012824.db2.gz LYLQJSFYFVUKNI-LJQANCHMSA-N 2 0 339.483 2.356 20 30 EEEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838761 1227782934 /nfs/dbraw/zinc/78/29/34/1227782934.db2.gz BBDNWJIYEIENLV-HSALFYBXSA-N 2 0 343.515 2.482 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019820335 1229363518 /nfs/dbraw/zinc/36/35/18/1229363518.db2.gz GQQLRBOFXUBTLY-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020250999 1229583408 /nfs/dbraw/zinc/58/34/08/1229583408.db2.gz ZPKWHGMXLTXLQJ-MLYOOKFZSA-N 2 0 339.483 2.390 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141022 1230356904 /nfs/dbraw/zinc/35/69/04/1230356904.db2.gz NFKSZJNTCMOBRZ-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC=C)C3)CC1 ZINC001040541578 1231283457 /nfs/dbraw/zinc/28/34/57/1231283457.db2.gz BRWCAOIJDJCEAW-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046471456 1234840505 /nfs/dbraw/zinc/84/05/05/1234840505.db2.gz ZHAMTIKVYYPIAB-GOSISDBHSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001046849542 1235247319 /nfs/dbraw/zinc/24/73/19/1235247319.db2.gz GQYIUSLGXDATAN-OAQYLSRUSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047243411 1235732283 /nfs/dbraw/zinc/73/22/83/1235732283.db2.gz LBHKRQAKVQRDCT-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574235 1237998124 /nfs/dbraw/zinc/99/81/24/1237998124.db2.gz STMPAQSDNFGQRX-UHZRXMQZSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=C)C)CC1 ZINC001048590342 1238042113 /nfs/dbraw/zinc/04/21/13/1238042113.db2.gz NFDKOISXFJPUOC-FNLKRUPLSA-N 2 0 343.515 2.267 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001000219658 1240073284 /nfs/dbraw/zinc/07/32/84/1240073284.db2.gz POIWDAWZEYTCNI-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826901 1242327250 /nfs/dbraw/zinc/32/72/50/1242327250.db2.gz IYSGDYGIUVKUIQ-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050542582 1243813353 /nfs/dbraw/zinc/81/33/53/1243813353.db2.gz HWNRSDHUNNLBDN-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050544754 1243817598 /nfs/dbraw/zinc/81/75/98/1243817598.db2.gz VVPAQUNNBYCGAU-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050729768 1244232622 /nfs/dbraw/zinc/23/26/22/1244232622.db2.gz BJLYOIHFTUTVMP-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3CCC)cccc2C1 ZINC001051289243 1245482317 /nfs/dbraw/zinc/48/23/17/1245482317.db2.gz GNHCMJIHADUDAJ-FQEVSTJZSA-N 2 0 339.483 2.169 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051454 1245775660 /nfs/dbraw/zinc/77/56/60/1245775660.db2.gz OUDCJKGYWDREKB-QZTJIDSGSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101486988 1245890567 /nfs/dbraw/zinc/89/05/67/1245890567.db2.gz ISLPTIHSVJJYLQ-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380966 1247160634 /nfs/dbraw/zinc/16/06/34/1247160634.db2.gz GUYVRUSWUCPUDE-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052385001 1247167720 /nfs/dbraw/zinc/16/77/20/1247167720.db2.gz FODQLUZYVZDHHK-JKSUJKDBSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054061146 1247275248 /nfs/dbraw/zinc/27/52/48/1247275248.db2.gz VOFFBDOEWHKUCK-OALUTQOASA-N 2 0 327.472 2.057 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184300 1247644863 /nfs/dbraw/zinc/64/48/63/1247644863.db2.gz CIPASMCBPGWOJQ-BJLQDIEVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209764 1247725311 /nfs/dbraw/zinc/72/53/11/1247725311.db2.gz XFDZJPTVJSTJPL-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185610120 1278716626 /nfs/dbraw/zinc/71/66/26/1278716626.db2.gz RLZQEVGKFIFKBG-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405706 1279881829 /nfs/dbraw/zinc/88/18/29/1279881829.db2.gz NYJOYFAIPCDJMO-FUHWJXTLSA-N 2 0 328.460 2.017 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192006773 1281760033 /nfs/dbraw/zinc/76/00/33/1281760033.db2.gz IWFPQQLAKGOZBL-IBGZPJMESA-N 2 0 345.462 2.052 20 30 EEEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424265 1282501403 /nfs/dbraw/zinc/50/14/03/1282501403.db2.gz KJESMQUPAJDWPD-OALUTQOASA-N 2 0 327.472 2.235 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284685 1282978851 /nfs/dbraw/zinc/97/88/51/1282978851.db2.gz LNFTZEKDMJMHKD-QGZVFWFLSA-N 2 0 346.450 2.070 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617382 1285246155 /nfs/dbraw/zinc/24/61/55/1285246155.db2.gz OMRMXLIMBTZJBB-DLBZAZTESA-N 2 0 331.460 2.112 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198759143 1285346240 /nfs/dbraw/zinc/34/62/40/1285346240.db2.gz CMEDXYCDPUPMFW-PKOBYXMFSA-N 2 0 345.487 2.358 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1OC ZINC001198876113 1285407661 /nfs/dbraw/zinc/40/76/61/1285407661.db2.gz OPMMMMNMBIIVER-QGZVFWFLSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071176742 1286906835 /nfs/dbraw/zinc/90/68/35/1286906835.db2.gz ZXHBCTBQIZKZRI-FXAWDEMLSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202088583 1289913480 /nfs/dbraw/zinc/91/34/80/1289913480.db2.gz WEDPQOSOOBHVHR-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095520 1295237703 /nfs/dbraw/zinc/23/77/03/1295237703.db2.gz JRSQQAPSRYWUQH-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882702 1296267809 /nfs/dbraw/zinc/26/78/09/1296267809.db2.gz LJZBILCMQUDEQA-UHFFFAOYSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215232374 1296773534 /nfs/dbraw/zinc/77/35/34/1296773534.db2.gz IEDBBWQESOTJOE-UKRRQHHQSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478163 1297117803 /nfs/dbraw/zinc/11/78/03/1297117803.db2.gz BUXPADVQTWECTJ-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C=C1CC[NH2+]C[C@@H]1Oc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001218210868 1297598664 /nfs/dbraw/zinc/59/86/64/1297598664.db2.gz LNAFZMHNBUCLDR-KRWDZBQOSA-N 2 0 330.407 2.397 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C)[NH+](C)C ZINC001074710652 1298266813 /nfs/dbraw/zinc/26/68/13/1298266813.db2.gz BQDCLRGCDRVOQN-DOPJRALCSA-N 2 0 346.450 2.117 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099521397 1299180740 /nfs/dbraw/zinc/18/07/40/1299180740.db2.gz QOPICIZKUZQPPB-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276859142 1299963251 /nfs/dbraw/zinc/96/32/51/1299963251.db2.gz YIQSEPRBXGWYAB-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223928392 1300336984 /nfs/dbraw/zinc/33/69/84/1300336984.db2.gz BXWIOHOEFVTFCM-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102496282 1301146870 /nfs/dbraw/zinc/14/68/70/1301146870.db2.gz NYVBEVFYULCYGZ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001226775683 1301549905 /nfs/dbraw/zinc/54/99/05/1301549905.db2.gz WVYAXHHQLNZIJX-QRVBRYPASA-N 2 0 349.519 2.223 20 30 EEEDRP CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277239656 1301961690 /nfs/dbraw/zinc/96/16/90/1301961690.db2.gz UPUNMJBWSMWAQE-BGYRXZFFSA-N 2 0 326.488 2.331 20 30 EEEDRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC001227832055 1301981053 /nfs/dbraw/zinc/98/10/53/1301981053.db2.gz BBNGESDDLPSKPG-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001229653261 1302906964 /nfs/dbraw/zinc/90/69/64/1302906964.db2.gz WYMYZMYRXABIPU-GUDVDZBRSA-N 2 0 327.472 2.330 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732529 1303273250 /nfs/dbraw/zinc/27/32/50/1303273250.db2.gz FOCZJWGYVSXHPT-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230783517 1303454756 /nfs/dbraw/zinc/45/47/56/1303454756.db2.gz LOPRIEMSSNCKQK-GOSISDBHSA-N 2 0 332.492 2.306 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001111875883 1304039283 /nfs/dbraw/zinc/03/92/83/1304039283.db2.gz JFANGWALUKBJPF-HBFSDRIKSA-N 2 0 349.519 2.034 20 30 EEEDRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]3C2)cn1 ZINC001232842980 1304267622 /nfs/dbraw/zinc/26/76/22/1304267622.db2.gz HJYCVQXRDLGSBQ-HZPDHXFCSA-N 2 0 341.484 2.307 20 30 EEEDRP COc1cc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)ccc1C#N ZINC001278286085 1308980344 /nfs/dbraw/zinc/98/03/44/1308980344.db2.gz NFHPZJYTNBRVAL-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC001120213309 1309387366 /nfs/dbraw/zinc/38/73/66/1309387366.db2.gz INQBCUWAFUZBGC-SFHVURJKSA-N 2 0 327.472 2.331 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001122118561 1310225598 /nfs/dbraw/zinc/22/55/98/1310225598.db2.gz JHWAQSLWFGOOKD-IRXDYDNUSA-N 2 0 339.524 2.339 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226861 1317511668 /nfs/dbraw/zinc/51/16/68/1317511668.db2.gz PKMVAPSEIBNMAH-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP N#C[C@@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664638 1318161329 /nfs/dbraw/zinc/16/13/29/1318161329.db2.gz IXDYVLLFWFJNEI-SJORKVTESA-N 2 0 327.476 2.419 20 30 EEEDRP N#C[C@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664628 1318161721 /nfs/dbraw/zinc/16/17/21/1318161721.db2.gz IXDYVLLFWFJNEI-DLBZAZTESA-N 2 0 327.476 2.419 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001157886161 1318916934 /nfs/dbraw/zinc/91/69/34/1318916934.db2.gz ASCDWGCGSPFMSY-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073267 1318995649 /nfs/dbraw/zinc/99/56/49/1318995649.db2.gz MEJUHPVRMNZDQX-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160474015 1320172077 /nfs/dbraw/zinc/17/20/77/1320172077.db2.gz WPEWJITXDLDMER-RBUKOAKNSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[C@]1(C(=O)N2CCC(CC3CC[NH+](CC)CC3)CC2)CCC[NH2+]1 ZINC001161047425 1320367562 /nfs/dbraw/zinc/36/75/62/1320367562.db2.gz HBBNXCJFANCICQ-OAQYLSRUSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390396 1320485393 /nfs/dbraw/zinc/48/53/93/1320485393.db2.gz FIDOMEMZEOTFEM-IBGZPJMESA-N 2 0 331.504 2.411 20 30 EEEDRP C[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])CCC[NH3+])C1=CC(=O)CCC1 ZINC001161506154 1320521579 /nfs/dbraw/zinc/52/15/79/1320521579.db2.gz BGVLXPNRKQPEAV-KDOFPFPSSA-N 2 0 329.444 2.279 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161894105 1320665958 /nfs/dbraw/zinc/66/59/58/1320665958.db2.gz WMSRTNCDDKNMCA-UHFFFAOYSA-N 2 0 331.504 2.414 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+](CC)CC ZINC001166432530 1321719060 /nfs/dbraw/zinc/71/90/60/1321719060.db2.gz HOUUVLNBEZUXCK-GOSISDBHSA-N 2 0 330.476 2.275 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547996 1323529740 /nfs/dbraw/zinc/52/97/40/1323529740.db2.gz MIKXEEMQEWDUHY-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206953644 1323739978 /nfs/dbraw/zinc/73/99/78/1323739978.db2.gz WYZYFHFKQPYFNX-UHFFFAOYSA-N 2 0 348.516 2.288 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CC#Cc3ccccc3)C2)CCC1 ZINC001208328352 1324428314 /nfs/dbraw/zinc/42/83/14/1324428314.db2.gz CXMSGSNMLCDQRV-IBGZPJMESA-N 2 0 339.483 2.103 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331274 1324430996 /nfs/dbraw/zinc/43/09/96/1324430996.db2.gz PBNKEYJGQLUTLO-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP Cn1cc(CN2CC[C@@H]3C[N@H+](CCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208922201 1324720052 /nfs/dbraw/zinc/72/00/52/1324720052.db2.gz DGHPFGSRGLGDDJ-RTWAWAEBSA-N 2 0 349.482 2.288 20 30 EEEDRP CC[C@H](C(=O)N(CC)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001320766842 1332948521 /nfs/dbraw/zinc/94/85/21/1332948521.db2.gz NAWHPVJQKRUXDN-GOSISDBHSA-N 2 0 349.906 2.470 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001100652073 1338599845 /nfs/dbraw/zinc/59/98/45/1338599845.db2.gz XFVUMBBRJQHCHW-XUJQIHCRSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959117 1367963464 /nfs/dbraw/zinc/96/34/64/1367963464.db2.gz LFJVZVJZHRLAFR-LSDHHAIUSA-N 2 0 327.432 2.330 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557053 1368819761 /nfs/dbraw/zinc/81/97/61/1368819761.db2.gz CJBYYEMRKKLXGP-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001370525307 1374974407 /nfs/dbraw/zinc/97/44/07/1374974407.db2.gz ZHBZJZOXPLGNPE-IHRRRGAJSA-N 2 0 346.313 2.252 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001370935937 1375145264 /nfs/dbraw/zinc/14/52/64/1375145264.db2.gz XCRIOSFEOZCIEF-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001374539969 1376918096 /nfs/dbraw/zinc/91/80/96/1376918096.db2.gz QZLWMIMKFJZZPY-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496212 1379298608 /nfs/dbraw/zinc/29/86/08/1379298608.db2.gz JZIGAUIOICCHFH-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001381194057 1381552947 /nfs/dbraw/zinc/55/29/47/1381552947.db2.gz SVCYLZYPZJWTSO-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001382336030 1382074155 /nfs/dbraw/zinc/07/41/55/1382074155.db2.gz AEWMEEPWYKPNBP-HOTGVXAUSA-N 2 0 327.900 2.345 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001391860176 1389665658 /nfs/dbraw/zinc/66/56/58/1389665658.db2.gz BONGGLITCPCPJA-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001392194698 1389886169 /nfs/dbraw/zinc/88/61/69/1389886169.db2.gz YJRVOGHWRGLQQA-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)CC1 ZINC001754986271 1407019763 /nfs/dbraw/zinc/01/97/63/1407019763.db2.gz YPIDBAPKYBCXJW-UHFFFAOYSA-N 2 0 339.483 2.008 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755705451 1407757331 /nfs/dbraw/zinc/75/73/31/1407757331.db2.gz YXEJGFVGALVGEX-AZUAARDMSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121923937 1410252552 /nfs/dbraw/zinc/25/25/52/1410252552.db2.gz HFBYEYIWXRPQPI-WZXTXQKWSA-N 2 0 333.520 2.393 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100676982 1410694327 /nfs/dbraw/zinc/69/43/27/1410694327.db2.gz VLPGSHCMCNUHKN-LYGPFTKASA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123520 1410876313 /nfs/dbraw/zinc/87/63/13/1410876313.db2.gz NIHOEVQVSGLZJJ-CHWSQXEVSA-N 2 0 335.414 2.272 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291323 758129778 /nfs/dbraw/zinc/12/97/78/758129778.db2.gz MGYHTZOLHLAZHB-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075454043 760708520 /nfs/dbraw/zinc/70/85/20/760708520.db2.gz JWYOKMQLFAWZNN-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001167610610 760727416 /nfs/dbraw/zinc/72/74/16/760727416.db2.gz UMRLKTIMZNFEEE-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001167655178 760878463 /nfs/dbraw/zinc/87/84/63/760878463.db2.gz HTKQSLYKSBETIP-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211623809 761184362 /nfs/dbraw/zinc/18/43/62/761184362.db2.gz ULFVDMCZLSMPJA-IPMKNSEASA-N 2 0 329.488 2.487 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087994063 782732332 /nfs/dbraw/zinc/73/23/32/782732332.db2.gz POKWXSLGUOWNKR-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001131696861 783093292 /nfs/dbraw/zinc/09/32/92/783093292.db2.gz BZSWMGQYXLWTHG-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981809535 778253665 /nfs/dbraw/zinc/25/36/65/778253665.db2.gz LSQLLJXJJUEUPO-LJQANCHMSA-N 2 0 331.504 2.341 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296298 779606853 /nfs/dbraw/zinc/60/68/53/779606853.db2.gz OLHNGCSRFXJQNJ-YSIASYRMSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443333 780287021 /nfs/dbraw/zinc/28/70/21/780287021.db2.gz HPHHBGFHTRIMBV-WOJBJXKFSA-N 2 0 339.483 2.080 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087443367 780288595 /nfs/dbraw/zinc/28/85/95/780288595.db2.gz JCJBAOWCOGNZOX-GUDVDZBRSA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001028334001 780785599 /nfs/dbraw/zinc/78/55/99/780785599.db2.gz UVVAOOLQUYKHHX-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001088317900 783490063 /nfs/dbraw/zinc/49/00/63/783490063.db2.gz QWWXKQTZTCBCRG-MRXNPFEDSA-N 2 0 330.476 2.309 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135314888 783597711 /nfs/dbraw/zinc/59/77/11/783597711.db2.gz INGQVEBPKSEAIU-QZTJIDSGSA-N 2 0 329.488 2.253 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203957 784052011 /nfs/dbraw/zinc/05/20/11/784052011.db2.gz UGWNZAYSPFNCKB-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCc1nccn1C)CC2 ZINC001035209546 784123727 /nfs/dbraw/zinc/12/37/27/784123727.db2.gz LYUOOGDSJCJQEX-UHFFFAOYSA-N 2 0 330.476 2.243 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001105698211 785144654 /nfs/dbraw/zinc/14/46/54/785144654.db2.gz GPSJORWDTXJIRS-APWZRJJASA-N 2 0 349.519 2.127 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836218 785257937 /nfs/dbraw/zinc/25/79/37/785257937.db2.gz JBSRSYWILYIOSY-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560489 805671221 /nfs/dbraw/zinc/67/12/21/805671221.db2.gz CFAHWLRYFGDXAA-SQNIBIBYSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495562 787416021 /nfs/dbraw/zinc/41/60/21/787416021.db2.gz QWPAPERDHDBRNL-YLJYHZDGSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001006029804 789300639 /nfs/dbraw/zinc/30/06/39/789300639.db2.gz WNNPYXSOIQCBMU-UXHICEINSA-N 2 0 341.499 2.441 20 30 EEEDRP N#Cc1ccc(N2CCCN(C3CC[NH+](CC4CC4)CC3)CC2)nc1 ZINC001168393170 789500012 /nfs/dbraw/zinc/50/00/12/789500012.db2.gz YAKSQDAMPVPZKS-UHFFFAOYSA-N 2 0 339.487 2.340 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595000 791366315 /nfs/dbraw/zinc/36/63/15/791366315.db2.gz WDBKYERTUJXSOI-KBPBESRZSA-N 2 0 336.505 2.333 20 30 EEEDRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001147450104 791841768 /nfs/dbraw/zinc/84/17/68/791841768.db2.gz ZDGODEUCRLEJSE-OAQYLSRUSA-N 2 0 349.478 2.437 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628908 792578329 /nfs/dbraw/zinc/57/83/29/792578329.db2.gz NMDLNAIBMBIQKP-TXPKVOOTSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921379 792986662 /nfs/dbraw/zinc/98/66/62/792986662.db2.gz NYIBGVAQSHHNKV-QZTJIDSGSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186615 793127173 /nfs/dbraw/zinc/12/71/73/793127173.db2.gz GOWYRWMVPDAKLZ-LSTHTHJFSA-N 2 0 349.494 2.335 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000999389768 794401577 /nfs/dbraw/zinc/40/15/77/794401577.db2.gz CDBYZVIADSNYHC-MOPGFXCFSA-N 2 0 343.446 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(C)C)CC3)CC1 ZINC000992502109 794435190 /nfs/dbraw/zinc/43/51/90/794435190.db2.gz AKHOBSDBLZAHHK-UYAOXDASSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992512495 794463231 /nfs/dbraw/zinc/46/32/31/794463231.db2.gz STRVBZQAWXECJM-ICSRJNTNSA-N 2 0 325.456 2.108 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731788 794678719 /nfs/dbraw/zinc/67/87/19/794678719.db2.gz YVPBIVMQPWRRBF-NVXWUHKLSA-N 2 0 345.512 2.369 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737134 794694629 /nfs/dbraw/zinc/69/46/29/794694629.db2.gz MDODZAZGXOHBHW-ZBFHGGJFSA-N 2 0 325.884 2.146 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1CCC)CCO2 ZINC001093397533 795171734 /nfs/dbraw/zinc/17/17/34/795171734.db2.gz BWSDJAQENWAGGF-QPIRBTGLSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)N(C)C ZINC001032725279 795259180 /nfs/dbraw/zinc/25/91/80/795259180.db2.gz HXLQOPOPPNKIDA-BJLQDIEVSA-N 2 0 327.472 2.325 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001107998748 795346301 /nfs/dbraw/zinc/34/63/01/795346301.db2.gz QREOAANDCREGSF-QUCCMNQESA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106471741 795663555 /nfs/dbraw/zinc/66/35/55/795663555.db2.gz IQODMNDNQAGRSB-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672075 796084553 /nfs/dbraw/zinc/08/45/53/796084553.db2.gz CVBWGSRHVZDYPP-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094444726 796251883 /nfs/dbraw/zinc/25/18/83/796251883.db2.gz FWQVVVIINSOYOC-UYAOXDASSA-N 2 0 343.515 2.247 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548526 806522451 /nfs/dbraw/zinc/52/24/51/806522451.db2.gz DULOZRULIZNXET-RDJZCZTQSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757673 796936827 /nfs/dbraw/zinc/93/68/27/796936827.db2.gz YURPXGMXMTUXGP-HZPDHXFCSA-N 2 0 339.911 2.488 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001836789 797243186 /nfs/dbraw/zinc/24/31/86/797243186.db2.gz OTACRAJZXYXGPM-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[NH+](C)C ZINC001175048847 797977840 /nfs/dbraw/zinc/97/78/40/797977840.db2.gz LKHQDTFEDLUABC-MRXNPFEDSA-N 2 0 330.476 2.275 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001175049713 797978217 /nfs/dbraw/zinc/97/82/17/797978217.db2.gz XMTODMMIHBOQIW-CQSZACIVSA-N 2 0 336.505 2.336 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@H](F)CC)[C@H]3C2)CC1 ZINC001085100415 798674265 /nfs/dbraw/zinc/67/42/65/798674265.db2.gz AAVLMGVDIQBTNO-QRQLOZEOSA-N 2 0 349.494 2.003 20 30 EEEDRP C=CCOCC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317961 798856630 /nfs/dbraw/zinc/85/66/30/798856630.db2.gz PVXNFVYCPCXSIZ-UHFFFAOYSA-N 2 0 337.464 2.034 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C12CCC2 ZINC001203356804 799484895 /nfs/dbraw/zinc/48/48/95/799484895.db2.gz BRQUYLWWYLSIGV-JKSUJKDBSA-N 2 0 346.500 2.088 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365830 800400297 /nfs/dbraw/zinc/40/02/97/800400297.db2.gz KFJGHOHPSLBIFB-UHFFFAOYSA-N 2 0 339.524 2.331 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001181952092 800973512 /nfs/dbraw/zinc/97/35/12/800973512.db2.gz PTXDLVILHTVHTI-YLJYHZDGSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458487 802123555 /nfs/dbraw/zinc/12/35/55/802123555.db2.gz PJTAJVZBEXWDDP-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086122564 802222753 /nfs/dbraw/zinc/22/27/53/802222753.db2.gz QCYIHHWJFHRVIG-IPELMVKDSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001185072769 802336711 /nfs/dbraw/zinc/33/67/11/802336711.db2.gz KGFQGPSDULKTFJ-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638667 802529511 /nfs/dbraw/zinc/52/95/11/802529511.db2.gz XJHGMGYAWYEFGO-KDURUIRLSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657475 802679517 /nfs/dbraw/zinc/67/95/17/802679517.db2.gz MROGGMPCNNQNKG-ZCNNSNEGSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789624 804508833 /nfs/dbraw/zinc/50/88/33/804508833.db2.gz MZNDRYYRKWWJSY-UHOSZYNNSA-N 2 0 331.504 2.099 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086619897 810644691 /nfs/dbraw/zinc/64/46/91/810644691.db2.gz MXWUUIVURXNMMC-NZSAHSFTSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001440131801 1093197662 /nfs/dbraw/zinc/19/76/62/1093197662.db2.gz ZMOBQCIPUCJYQW-ZIAGYGMSSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443935412 1098455197 /nfs/dbraw/zinc/45/51/97/1098455197.db2.gz PARVJAAESBDLQI-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003414 1113871203 /nfs/dbraw/zinc/87/12/03/1113871203.db2.gz RCDQXXRVKWQBMO-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000491474449 533147512 /nfs/dbraw/zinc/14/75/12/533147512.db2.gz MUHMVBQPDRRUQD-WBVHZDCISA-N 2 0 331.460 2.170 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N ZINC000564547441 319090474 /nfs/dbraw/zinc/09/04/74/319090474.db2.gz IQZCLRPRSSKYLO-HKUYNNGSSA-N 2 0 329.444 2.285 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000566407080 319282394 /nfs/dbraw/zinc/28/23/94/319282394.db2.gz YAOTZSRYFMFQTO-KRWDZBQOSA-N 2 0 334.414 2.109 20 30 EEEDRP C=CCCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000355454446 465250620 /nfs/dbraw/zinc/25/06/20/465250620.db2.gz GSNGPOXUADLXNS-UHFFFAOYSA-N 2 0 342.487 2.456 20 30 EEEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523672 463407276 /nfs/dbraw/zinc/40/72/76/463407276.db2.gz AVIYLWOSDIPLLE-MRXNPFEDSA-N 2 0 334.508 2.381 20 30 EEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000185868399 463894029 /nfs/dbraw/zinc/89/40/29/463894029.db2.gz ZCZJTMMKCWDNRX-SFHVURJKSA-N 2 0 344.503 2.485 20 30 EEEDRP C=CCN(CC=C)C(=O)CN1CCC(Oc2ccncc2C)CC1 ZINC000278786667 463986657 /nfs/dbraw/zinc/98/66/57/463986657.db2.gz ZYRXQCVPVKMYIC-UHFFFAOYSA-N 2 0 329.444 2.434 20 30 EEEDRP CCCC(=O)Nc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000264079769 464280691 /nfs/dbraw/zinc/28/06/91/464280691.db2.gz GWUZZHMFDHZQQH-KRWDZBQOSA-N 2 0 345.491 2.314 20 30 EEEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])N3CCOCC3)c2)CC1 ZINC000264085452 464280763 /nfs/dbraw/zinc/28/07/63/464280763.db2.gz JGOIENIJSLFNJA-UHFFFAOYSA-N 2 0 330.476 2.065 20 30 EEEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203544 464736858 /nfs/dbraw/zinc/73/68/58/464736858.db2.gz LNIHODBJPBMHBR-MSOLQXFVSA-N 2 0 327.476 2.266 20 30 EEEDRP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330218579 465573630 /nfs/dbraw/zinc/57/36/30/465573630.db2.gz JMEFVAJRUGRGSK-GBESFXJTSA-N 2 0 343.471 2.205 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 ZINC000372065781 466143143 /nfs/dbraw/zinc/14/31/43/466143143.db2.gz IDALEQURXOJZFP-QAPCUYQASA-N 2 0 327.476 2.242 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000350229093 466431552 /nfs/dbraw/zinc/43/15/52/466431552.db2.gz XMJRCTWXZFIJOT-GOSISDBHSA-N 2 0 331.460 2.370 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368236188 466589873 /nfs/dbraw/zinc/58/98/73/466589873.db2.gz RZODGBJYINLSTL-FRYIKTPZSA-N 2 0 339.483 2.015 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057460 466766521 /nfs/dbraw/zinc/76/65/21/466766521.db2.gz BIFOJVKSOSPFQU-HKUYNNGSSA-N 2 0 336.524 2.374 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000417543394 466879890 /nfs/dbraw/zinc/87/98/90/466879890.db2.gz ULWQAVWFVZSUJA-IAGOWNOFSA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433608671 467342409 /nfs/dbraw/zinc/34/24/09/467342409.db2.gz ONDYQGJEUKPJOU-SFHVURJKSA-N 2 0 334.508 2.343 20 30 EEEDRP CCN1CCC([N@@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)CC1 ZINC000420621983 467435908 /nfs/dbraw/zinc/43/59/08/467435908.db2.gz DVUVPMPJPYPHDW-UHFFFAOYSA-N 2 0 327.476 2.258 20 30 EEEDRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000528399559 467681655 /nfs/dbraw/zinc/68/16/55/467681655.db2.gz WROQSAKYXMMWDL-ZHALLVOQSA-N 2 0 349.519 2.252 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000558753982 468713679 /nfs/dbraw/zinc/71/36/79/468713679.db2.gz YBLVGUTZSHLJEJ-SCTDSRPQSA-N 2 0 345.487 2.256 20 30 EEEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2cccc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000602507145 469342549 /nfs/dbraw/zinc/34/25/49/469342549.db2.gz BTEWRIAGXOSQRO-NRFANRHFSA-N 2 0 349.482 2.422 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000669385651 471471670 /nfs/dbraw/zinc/47/16/70/471471670.db2.gz IFMMOLWDTTVWGM-FGTMMUONSA-N 2 0 336.524 2.454 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000171714687 526444417 /nfs/dbraw/zinc/44/44/17/526444417.db2.gz AXJMDSGYODDPNF-LJQANCHMSA-N 2 0 327.472 2.418 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970800139 676160027 /nfs/dbraw/zinc/16/00/27/676160027.db2.gz MCABXSXXWYNJTP-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020590126 675221512 /nfs/dbraw/zinc/22/15/12/675221512.db2.gz MWAGFVVHBQOGQX-XEZPLFJOSA-N 2 0 331.863 2.188 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020938231 675592927 /nfs/dbraw/zinc/59/29/27/675592927.db2.gz HYWWRDAQZVPEPG-QAQDUYKDSA-N 2 0 349.438 2.070 20 30 EEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428557 675875376 /nfs/dbraw/zinc/87/53/76/675875376.db2.gz PEUBCUPZFMBSQF-INIZCTEOSA-N 2 0 329.488 2.417 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888867 679672587 /nfs/dbraw/zinc/67/25/87/679672587.db2.gz FBRKBHIQSXPHAG-RHSMWYFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971795128 676800058 /nfs/dbraw/zinc/80/00/58/676800058.db2.gz PHPQTGGTUWFVCA-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000104162698 678005974 /nfs/dbraw/zinc/00/59/74/678005974.db2.gz FDCNHCTVIAQEKN-INIZCTEOSA-N 2 0 332.492 2.358 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001022717237 678320728 /nfs/dbraw/zinc/32/07/28/678320728.db2.gz UUNITWIXYZWODL-OKILXGFUSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155622285 679080971 /nfs/dbraw/zinc/08/09/71/679080971.db2.gz BXKTXVHODUUOMY-ROUUACIJSA-N 2 0 329.488 2.375 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569199 679394889 /nfs/dbraw/zinc/39/48/89/679394889.db2.gz TVQNZIHIJHNCNW-IEBWSBKVSA-N 2 0 341.499 2.397 20 30 EEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000262756047 679551458 /nfs/dbraw/zinc/55/14/58/679551458.db2.gz HMMWIHYQTPHHQE-INIZCTEOSA-N 2 0 335.540 2.043 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001023760610 679565053 /nfs/dbraw/zinc/56/50/53/679565053.db2.gz YAZKMHLQIIQFSE-JLAWEPINSA-N 2 0 345.531 2.206 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001024366920 679883961 /nfs/dbraw/zinc/88/39/61/679883961.db2.gz WFHMBYHSQQNZAM-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810817 681463210 /nfs/dbraw/zinc/46/32/10/681463210.db2.gz JZXVKVHQZQZROB-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001025631227 683169757 /nfs/dbraw/zinc/16/97/57/683169757.db2.gz YRACNXQNPWSHBA-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000992858796 683607790 /nfs/dbraw/zinc/60/77/90/683607790.db2.gz NNTAMAJIKDMHAJ-ARFHVFGLSA-N 2 0 337.895 2.051 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001026464633 684678224 /nfs/dbraw/zinc/67/82/24/684678224.db2.gz OGQNTGBIGWLISA-KVULBXGLSA-N 2 0 346.500 2.231 20 30 EEEDRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001026891155 685254617 /nfs/dbraw/zinc/25/46/17/685254617.db2.gz NIMBOOCIAJDFEM-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000262452152 686121161 /nfs/dbraw/zinc/12/11/61/686121161.db2.gz WDCCQWAPLGDUHW-KSZLIROESA-N 2 0 348.535 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)CC1 ZINC001027693585 693999661 /nfs/dbraw/zinc/99/96/61/693999661.db2.gz GCKHQOZZGMGHPO-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989170485 691490997 /nfs/dbraw/zinc/49/09/97/691490997.db2.gz OUBGMSSVACHGNK-GJZGRUSLSA-N 2 0 325.416 2.036 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCc3sccc3C2)C1 ZINC000989827021 692370251 /nfs/dbraw/zinc/37/02/51/692370251.db2.gz XDBNMVZGLSDCAB-GOEBONIOSA-N 2 0 333.501 2.261 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000943645551 1192435851 /nfs/dbraw/zinc/43/58/51/1192435851.db2.gz FGUNHIQOTYKYBB-FUHWJXTLSA-N 2 0 338.455 2.035 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001105444663 1187183143 /nfs/dbraw/zinc/18/31/43/1187183143.db2.gz KGINHACDRIAMBP-PUZFROQSSA-N 2 0 329.488 2.320 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517401 1188134455 /nfs/dbraw/zinc/13/44/55/1188134455.db2.gz BNYCNWGURYYHLO-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001105570565 1188183622 /nfs/dbraw/zinc/18/36/22/1188183622.db2.gz VCCDCYBPXNJOKE-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105565836 1188185760 /nfs/dbraw/zinc/18/57/60/1188185760.db2.gz CDWUBUXMZRQHEN-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565098 1190041714 /nfs/dbraw/zinc/04/17/14/1190041714.db2.gz LMJCWIOHMASFFM-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484120220 1191220470 /nfs/dbraw/zinc/22/04/70/1191220470.db2.gz MMMWHHLSXOCQSD-SFHVURJKSA-N 2 0 348.516 2.290 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001409959819 1194348305 /nfs/dbraw/zinc/34/83/05/1194348305.db2.gz JIIVGVKPZGABDA-DNVCBOLYSA-N 2 0 342.487 2.081 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414821 1194534018 /nfs/dbraw/zinc/53/40/18/1194534018.db2.gz FFVPELLPDJVHIS-LPHOPBHVSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001033685542 1195067620 /nfs/dbraw/zinc/06/76/20/1195067620.db2.gz VKCZIOCKZNCWMQ-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001033687447 1195071564 /nfs/dbraw/zinc/07/15/64/1195071564.db2.gz GORPWALTDNEYBX-FQEVSTJZSA-N 2 0 343.515 2.365 20 30 EEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033951222 1195552037 /nfs/dbraw/zinc/55/20/37/1195552037.db2.gz CNGVLKXVHHQYBS-HXUWFJFHSA-N 2 0 341.499 2.350 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034004999 1195647809 /nfs/dbraw/zinc/64/78/09/1195647809.db2.gz SVPMAOIIFKAYAR-GOSISDBHSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)CC1 ZINC001034538580 1196360978 /nfs/dbraw/zinc/36/09/78/1196360978.db2.gz QJZYRVUDSJKZFP-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)CC1 ZINC001034832007 1196794169 /nfs/dbraw/zinc/79/41/69/1196794169.db2.gz KDJPQUJFFXLYOU-UHFFFAOYSA-N 2 0 339.483 2.148 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941872 1200217795 /nfs/dbraw/zinc/21/77/95/1200217795.db2.gz RNFOEFNRMMKJIL-IRXDYDNUSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCCC)C2)CC1 ZINC001133336537 1200760139 /nfs/dbraw/zinc/76/01/39/1200760139.db2.gz BVQVNXWVBZGLSL-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202772521 1204901172 /nfs/dbraw/zinc/90/11/72/1204901172.db2.gz RWIRFMXLLZHUQS-SFHVURJKSA-N 2 0 337.508 2.033 20 30 EEEDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2CC1 ZINC001275290709 1205299818 /nfs/dbraw/zinc/29/98/18/1205299818.db2.gz YCTAZPPNKVZGLG-BGYRXZFFSA-N 2 0 343.471 2.323 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948770450 1209363557 /nfs/dbraw/zinc/36/35/57/1209363557.db2.gz IRMGASUQRPGYPX-HXUWFJFHSA-N 2 0 341.499 2.350 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948986120 1209490708 /nfs/dbraw/zinc/49/07/08/1209490708.db2.gz IOSQJUHCNSHNEQ-HKUYNNGSSA-N 2 0 327.472 2.230 20 30 EEEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950631037 1210313259 /nfs/dbraw/zinc/31/32/59/1210313259.db2.gz WXAXPASKKQPYQE-MOPGFXCFSA-N 2 0 327.472 2.052 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496268 1212114975 /nfs/dbraw/zinc/11/49/75/1212114975.db2.gz JFHCZOFLZHYNFY-LBKNJMOBSA-N 2 0 342.487 2.309 20 30 EEEDRP CCN(CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303771913 1213903610 /nfs/dbraw/zinc/90/36/10/1213903610.db2.gz CZOBBXQJKSCYGC-SFHVURJKSA-N 2 0 331.508 2.292 20 30 EEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000303886580 1213921465 /nfs/dbraw/zinc/92/14/65/1213921465.db2.gz KGJZQUKZTULJNC-HNNXBMFYSA-N 2 0 349.910 2.119 20 30 EEEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCOCC2)c2ccccc2)CC1 ZINC000303904641 1213923538 /nfs/dbraw/zinc/92/35/38/1213923538.db2.gz YXKBPFOJNOHWSC-SFHVURJKSA-N 2 0 330.476 2.107 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647448 1215295025 /nfs/dbraw/zinc/29/50/25/1215295025.db2.gz ILGKJPRLMYIOKM-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961025668 1217012291 /nfs/dbraw/zinc/01/22/91/1217012291.db2.gz BIRZJJCAIBCUBW-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961369627 1217161277 /nfs/dbraw/zinc/16/12/77/1217161277.db2.gz YKZGYAKIFMSGKT-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376783 1217164425 /nfs/dbraw/zinc/16/44/25/1217164425.db2.gz CYWFIMXYUIOQNH-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400532 1217175700 /nfs/dbraw/zinc/17/57/00/1217175700.db2.gz HWEDYOQHIMJYQC-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961412660 1217180357 /nfs/dbraw/zinc/18/03/57/1217180357.db2.gz UIJAMMPUWYUOHZ-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961438435 1217190162 /nfs/dbraw/zinc/19/01/62/1217190162.db2.gz DFWBTZILABMIKR-IBGZPJMESA-N 2 0 331.504 2.056 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000961991682 1217440341 /nfs/dbraw/zinc/44/03/41/1217440341.db2.gz GLJYHUGDHKWGRA-KVULBXGLSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358170 1217552337 /nfs/dbraw/zinc/55/23/37/1217552337.db2.gz OUQZDDPLYXEOAB-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)CC1 ZINC000964438026 1218365495 /nfs/dbraw/zinc/36/54/95/1218365495.db2.gz QZRMQRNQMNADNM-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968681954 1221487708 /nfs/dbraw/zinc/48/77/08/1221487708.db2.gz NMWGGQOFNKPXJL-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001016823021 1226905609 /nfs/dbraw/zinc/90/56/09/1226905609.db2.gz KKZGKWMEZMBKBF-HOCLYGCPSA-N 2 0 328.460 2.376 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860979 1226928549 /nfs/dbraw/zinc/92/85/49/1226928549.db2.gz MADZMCMPIAKBDA-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC[C@@H](C)F)CC3)CC1 ZINC001016987144 1227016097 /nfs/dbraw/zinc/01/60/97/1227016097.db2.gz VSFIGOPBQIUYEK-SJLPKXTDSA-N 2 0 349.494 2.050 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001019094734 1228727641 /nfs/dbraw/zinc/72/76/41/1228727641.db2.gz KBHBTMFVFRKUPV-SFHVURJKSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039375307 1230561762 /nfs/dbraw/zinc/56/17/62/1230561762.db2.gz XFAWHBHWLRTLII-RLLQIKCJSA-N 2 0 343.515 2.340 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnc(C)n3C1)C2 ZINC001095934523 1230912238 /nfs/dbraw/zinc/91/22/38/1230912238.db2.gz RFLAQVSDCGQGMZ-LMSBXDPUSA-N 2 0 328.460 2.052 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040731941 1231351146 /nfs/dbraw/zinc/35/11/46/1231351146.db2.gz FSAXQYRLVMUMNB-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001040773956 1231363833 /nfs/dbraw/zinc/36/38/33/1231363833.db2.gz GALQOUPEUSXOPU-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285148 1231494690 /nfs/dbraw/zinc/49/46/90/1231494690.db2.gz AZMBABZWFLDSPJ-QUCCMNQESA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432146 1231544871 /nfs/dbraw/zinc/54/48/71/1231544871.db2.gz OLUUBBGNEZOZKZ-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844801 1231728038 /nfs/dbraw/zinc/72/80/38/1231728038.db2.gz NRRXKOWRVCVXKX-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CC4(CCC4)C3)C2)CC1 ZINC001044335945 1232879049 /nfs/dbraw/zinc/87/90/49/1232879049.db2.gz RUIDXSHOUPEWJB-UHFFFAOYSA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045200919 1233576804 /nfs/dbraw/zinc/57/68/04/1233576804.db2.gz VCKSPKIKNGSVRO-GJZGRUSLSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001045685347 1233906583 /nfs/dbraw/zinc/90/65/83/1233906583.db2.gz HNKJHRLJKRYROA-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001054894023 1249318618 /nfs/dbraw/zinc/31/86/18/1249318618.db2.gz NALUCCNHWCDYNR-LRDDRELGSA-N 2 0 345.834 2.070 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949165 1234213537 /nfs/dbraw/zinc/21/35/37/1234213537.db2.gz ZBHOQJSOJBUZTE-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951247 1234217871 /nfs/dbraw/zinc/21/78/71/1234217871.db2.gz BZPAULZCLMHXLJ-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976392 1234262939 /nfs/dbraw/zinc/26/29/39/1234262939.db2.gz YFYRLRGPUQRDKH-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047243642 1235733939 /nfs/dbraw/zinc/73/39/39/1235733939.db2.gz MIHAHGHZHAKCMS-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048531902 1237888850 /nfs/dbraw/zinc/88/88/50/1237888850.db2.gz JXMDUFOELZFVRY-YSTOQKLRSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048871086 1239099377 /nfs/dbraw/zinc/09/93/77/1239099377.db2.gz HLQPVGXCWJTYMK-XHSDSOJGSA-N 2 0 325.884 2.004 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186719 1240041689 /nfs/dbraw/zinc/04/16/89/1240041689.db2.gz VWNDIWFVZAXECS-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194488 1240049223 /nfs/dbraw/zinc/04/92/23/1240049223.db2.gz VTALLYONSUGCDX-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001000221660 1240075805 /nfs/dbraw/zinc/07/58/05/1240075805.db2.gz ZZHHHKZBRGIGBG-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835275 1242362369 /nfs/dbraw/zinc/36/23/69/1242362369.db2.gz HERMVPDPCOXDJU-QRVBRYPASA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909813 1242659207 /nfs/dbraw/zinc/65/92/07/1242659207.db2.gz CRHMILJRYRVYNN-VQTJNVASSA-N 2 0 339.483 2.450 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913454 1242677710 /nfs/dbraw/zinc/67/77/10/1242677710.db2.gz YFDXIRYMRYCJIP-VQTJNVASSA-N 2 0 339.483 2.450 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052704109 1244790835 /nfs/dbraw/zinc/79/08/35/1244790835.db2.gz ZSPNKBIXQVDUNC-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@H+]3C)cccc2C1 ZINC001051292949 1245490518 /nfs/dbraw/zinc/49/05/18/1245490518.db2.gz LSIUPGSXLCIUNR-IBGZPJMESA-N 2 0 327.472 2.331 20 30 EEEDRP C#CC[N@H+]1CCc2c(CNC(=O)c3ccc4c[nH+]cn4c3)cccc2C1 ZINC001051292896 1245490741 /nfs/dbraw/zinc/49/07/41/1245490741.db2.gz FNEUHDDFXSMVER-UHFFFAOYSA-N 2 0 344.418 2.256 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051307167 1245513160 /nfs/dbraw/zinc/51/31/60/1245513160.db2.gz PSYCSBIALZUHEF-SFHVURJKSA-N 2 0 327.472 2.189 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101590211 1245996963 /nfs/dbraw/zinc/99/69/63/1245996963.db2.gz DQOWWNJFJJUPQY-QGZVFWFLSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438978 1247286122 /nfs/dbraw/zinc/28/61/22/1247286122.db2.gz FVSQZJGSRQFSIW-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171600 1247596841 /nfs/dbraw/zinc/59/68/41/1247596841.db2.gz VAOGBCDSHZUKGM-TZIWHRDSSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099552254 1258200211 /nfs/dbraw/zinc/20/02/11/1258200211.db2.gz KARHBJNSOCICPY-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100889883 1259399059 /nfs/dbraw/zinc/39/90/59/1259399059.db2.gz BQLNVFDKSHYQDC-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001185659266 1278734544 /nfs/dbraw/zinc/73/45/44/1278734544.db2.gz FWKCHLDCPFTOOH-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@H](C)C2)CC1 ZINC001185730779 1278767352 /nfs/dbraw/zinc/76/73/52/1278767352.db2.gz NVOMNNUDIKIGLQ-XLIONFOSSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615795 1279156832 /nfs/dbraw/zinc/15/68/32/1279156832.db2.gz JVMDVYHEOUIWOX-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598497 1279171502 /nfs/dbraw/zinc/17/15/02/1279171502.db2.gz TXCQMNLRTQNZRR-GOSISDBHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001188092241 1279762321 /nfs/dbraw/zinc/76/23/21/1279762321.db2.gz SIQIFDSFADQCJR-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001193600665 1282627534 /nfs/dbraw/zinc/62/75/34/1282627534.db2.gz JAKURWHHNMWRDQ-FQEVSTJZSA-N 2 0 341.499 2.303 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392900 1284957119 /nfs/dbraw/zinc/95/71/19/1284957119.db2.gz YEEKLUPQBSNGHQ-CJNGLKHVSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1OC ZINC001198902093 1285402083 /nfs/dbraw/zinc/40/20/83/1285402083.db2.gz DOMYQPBKUGTUSM-AEFFLSMTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176744 1286907422 /nfs/dbraw/zinc/90/74/22/1286907422.db2.gz ZXHBCTBQIZKZRI-XLIONFOSSA-N 2 0 349.519 2.129 20 30 EEEDRP C#C[C@](C)(CC)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000852099102 1291991897 /nfs/dbraw/zinc/99/18/97/1291991897.db2.gz DQYHCOAPXZGVGV-OAQYLSRUSA-N 2 0 341.499 2.421 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000854664430 1292912077 /nfs/dbraw/zinc/91/20/77/1292912077.db2.gz UMGDDLPOTJUMRE-FQEVSTJZSA-N 2 0 341.499 2.012 20 30 EEEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738231 1296086644 /nfs/dbraw/zinc/08/66/44/1296086644.db2.gz LCTZSRQZGJVGDG-KRWDZBQOSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001491272063 1299654844 /nfs/dbraw/zinc/65/48/44/1299654844.db2.gz WJBRXYFATSKLMH-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N(C)CC[NH+](CC)CC ZINC001276979717 1300639123 /nfs/dbraw/zinc/63/91/23/1300639123.db2.gz LRPLQACBTAXQNJ-YDZRNGNQSA-N 2 0 333.520 2.204 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001228366669 1302227222 /nfs/dbraw/zinc/22/72/22/1302227222.db2.gz VDVCOMOQPLCSNH-QZTJIDSGSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(=C)C)CC1 ZINC001230252020 1303127786 /nfs/dbraw/zinc/12/77/86/1303127786.db2.gz WQSXTETVEWADFI-RTBURBONSA-N 2 0 331.504 2.315 20 30 EEEDRP C=CCCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230713367 1303408693 /nfs/dbraw/zinc/40/86/93/1303408693.db2.gz BCBLAKLWZKQBKE-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccnc1 ZINC001230923754 1303549222 /nfs/dbraw/zinc/54/92/22/1303549222.db2.gz KFFRCVWGYVMZRP-QZTJIDSGSA-N 2 0 344.503 2.449 20 30 EEEDRP Cc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(C#N)c1 ZINC001232968820 1304309980 /nfs/dbraw/zinc/30/99/80/1304309980.db2.gz NHCBQMJWHKISPO-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP C=CCOCc1nn(C)c2c1CN(Cc1cccc3c[nH+]cn31)CC2 ZINC001238105250 1306225127 /nfs/dbraw/zinc/22/51/27/1306225127.db2.gz SLOKRCZKTNIHAR-UHFFFAOYSA-N 2 0 337.427 2.329 20 30 EEEDRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC#Cc1ccccc1)C2 ZINC001121703610 1310109889 /nfs/dbraw/zinc/10/98/89/1310109889.db2.gz ZVBRDCKLUOHSAU-UHFFFAOYSA-N 2 0 339.483 2.007 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246443354 1310313455 /nfs/dbraw/zinc/31/34/55/1310313455.db2.gz BVELOGJBTGTUHV-GJZGRUSLSA-N 2 0 332.879 2.195 20 30 EEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246547911 1310336809 /nfs/dbraw/zinc/33/68/09/1310336809.db2.gz GXTWKOCOZZBTGB-SUTQANCOSA-N 2 0 333.476 2.380 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928867 1315802613 /nfs/dbraw/zinc/80/26/13/1315802613.db2.gz NHCHMHZUQSXCQP-VQTJNVASSA-N 2 0 337.471 2.250 20 30 EEEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001150580740 1316305678 /nfs/dbraw/zinc/30/56/78/1316305678.db2.gz ZIMRHUCWNSZGKI-OALUTQOASA-N 2 0 345.487 2.073 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001151132538 1316456367 /nfs/dbraw/zinc/45/63/67/1316456367.db2.gz RSKOLUHQRWFNGE-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001152329770 1316657789 /nfs/dbraw/zinc/65/77/89/1316657789.db2.gz AYPMAVRYMJELHU-UHFFFAOYSA-N 2 0 331.504 2.008 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898389 1317375077 /nfs/dbraw/zinc/37/50/77/1317375077.db2.gz LEDCPFPUTLVVMM-GOSISDBHSA-N 2 0 341.499 2.207 20 30 EEEDRP N#Cc1ccc(C(=[NH2+])NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001254050007 1317991685 /nfs/dbraw/zinc/99/16/85/1317991685.db2.gz ZWJLZAKCQLAXQR-UHFFFAOYSA-N 2 0 348.450 2.291 20 30 EEEDRP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256904762 1318892308 /nfs/dbraw/zinc/89/23/08/1318892308.db2.gz MYCRRZCXSCNLQS-OAHLLOKOSA-N 2 0 349.500 2.202 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ncc(Cl)cc3C#N)CC2)CC1 ZINC001157842103 1318901770 /nfs/dbraw/zinc/90/17/70/1318901770.db2.gz MIVCOIJQLMQITA-UHFFFAOYSA-N 2 0 333.867 2.070 20 30 EEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001158405394 1319222688 /nfs/dbraw/zinc/22/26/88/1319222688.db2.gz ROECKQLJGYSCPA-FUHWJXTLSA-N 2 0 330.476 2.253 20 30 EEEDRP CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001258903215 1319370294 /nfs/dbraw/zinc/37/02/94/1319370294.db2.gz NMKUFTIUBQKJEE-CQSZACIVSA-N 2 0 339.505 2.306 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159328673 1319741928 /nfs/dbraw/zinc/74/19/28/1319741928.db2.gz VOCZOSHIDQMYJH-MRXNPFEDSA-N 2 0 334.489 2.090 20 30 EEEDRP N#Cc1cc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc(C2C[NH2+]C2)c1 ZINC001160394217 1320153227 /nfs/dbraw/zinc/15/32/27/1320153227.db2.gz GBNUSMWACWAWNI-APWZRJJASA-N 2 0 332.407 2.436 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446034 1320503662 /nfs/dbraw/zinc/50/36/62/1320503662.db2.gz VUONJUFNWRANIK-OALUTQOASA-N 2 0 329.488 2.165 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001162929459 1320990793 /nfs/dbraw/zinc/99/07/93/1320990793.db2.gz YQAJOYCSGWZXHB-AZUAARDMSA-N 2 0 343.515 2.421 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164514860 1321403674 /nfs/dbraw/zinc/40/36/74/1321403674.db2.gz UNYDJAIWYCAGJN-OAHLLOKOSA-N 2 0 327.900 2.488 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C12CCC2 ZINC001203348489 1321868162 /nfs/dbraw/zinc/86/81/62/1321868162.db2.gz DPHKHPRAEZNING-QZTJIDSGSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203586732 1321917081 /nfs/dbraw/zinc/91/70/81/1321917081.db2.gz ASPICDUXGVADQP-RTBURBONSA-N 2 0 343.515 2.149 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001207789673 1324151810 /nfs/dbraw/zinc/15/18/10/1324151810.db2.gz CXGDECMGSQGJFU-JKIFEVAISA-N 2 0 334.464 2.141 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCCc1cccc(C#N)c1 ZINC001208852690 1324690860 /nfs/dbraw/zinc/69/08/60/1324690860.db2.gz QPLOQJSMIWYZKJ-UXHICEINSA-N 2 0 326.488 2.201 20 30 EEEDRP CC[NH+](CC)CCCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926578 1324721251 /nfs/dbraw/zinc/72/12/51/1324721251.db2.gz VQRGFTKORSBBSB-UHFFFAOYSA-N 2 0 328.504 2.450 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210751064 1325416013 /nfs/dbraw/zinc/41/60/13/1325416013.db2.gz RSQLNFXGRJWRCU-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875635 1344312552 /nfs/dbraw/zinc/31/25/52/1344312552.db2.gz SPWGCEPYZVJPJP-LSDHHAIUSA-N 2 0 327.428 2.166 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001488828706 1369088012 /nfs/dbraw/zinc/08/80/12/1369088012.db2.gz NKFONUMUCAEUFM-SHTZXODSSA-N 2 0 327.900 2.488 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001121232235 1371865708 /nfs/dbraw/zinc/86/57/08/1371865708.db2.gz BJZOLXWUWVLICH-JDKNDNFBSA-N 2 0 343.515 2.434 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001371662284 1375563021 /nfs/dbraw/zinc/56/30/21/1375563021.db2.gz YKEDCCQFDLTZKR-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCCC(F)(F)F)CC1 ZINC001752920831 1406548589 /nfs/dbraw/zinc/54/85/89/1406548589.db2.gz HJSARVZWBHNDMH-AWEZNQCLSA-N 2 0 347.425 2.159 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983743 1398305589 /nfs/dbraw/zinc/30/55/89/1398305589.db2.gz XNGQFOBEXIBEEV-GJZGRUSLSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001403235477 1398493310 /nfs/dbraw/zinc/49/33/10/1398493310.db2.gz CTCRCZNTGFPAOO-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001423528765 1400622177 /nfs/dbraw/zinc/62/21/77/1400622177.db2.gz YWHRYGGQDXWTTO-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001755114976 1407124815 /nfs/dbraw/zinc/12/48/15/1407124815.db2.gz XUSLFTJOWBCUFD-MAUKXSAKSA-N 2 0 347.890 2.080 20 30 EEEDRP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001423686855 1400746855 /nfs/dbraw/zinc/74/68/55/1400746855.db2.gz AQKXYDSJWNXZHR-HTWSVDAQSA-N 2 0 346.450 2.117 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979074 1401827879 /nfs/dbraw/zinc/82/78/79/1401827879.db2.gz XVLOJPGEYFMGGM-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP Cc1c(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C#N)cc2)ccc2c[nH+]cn21 ZINC001732961054 1405973592 /nfs/dbraw/zinc/97/35/92/1405973592.db2.gz HHGXZDMPOGLMFX-CQSZACIVSA-N 2 0 347.422 2.423 20 30 EEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755445747 1407459495 /nfs/dbraw/zinc/45/94/95/1407459495.db2.gz QEOCZLKHFSBSBR-IAGOWNOFSA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115108858 1410971530 /nfs/dbraw/zinc/97/15/30/1410971530.db2.gz QLJALGBTQNBDCM-PXCRPINLSA-N 2 0 341.499 2.476 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232443 757535428 /nfs/dbraw/zinc/53/54/28/757535428.db2.gz CQGPAQBYFZNARG-IBGZPJMESA-N 2 0 337.483 2.098 20 30 EEEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001167260854 757594473 /nfs/dbraw/zinc/59/44/73/757594473.db2.gz NIYIGXCBCZHFML-IBGZPJMESA-N 2 0 341.499 2.254 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167627921 760770151 /nfs/dbraw/zinc/77/01/51/760770151.db2.gz UUMGXMAQPFFWMB-FQEVSTJZSA-N 2 0 341.499 2.397 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167639525 760802526 /nfs/dbraw/zinc/80/25/26/760802526.db2.gz AKEWBPIQIXESNG-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461818 760941061 /nfs/dbraw/zinc/94/10/61/760941061.db2.gz SCGPQSMNYYOEOS-RTBURBONSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC=C)[C@H]3C2(C)C)CC1 ZINC001087317317 761613197 /nfs/dbraw/zinc/61/31/97/761613197.db2.gz GRCCSJHQQZMVOB-GUDVDZBRSA-N 2 0 343.515 2.123 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753470 765200942 /nfs/dbraw/zinc/20/09/42/765200942.db2.gz BZNXEUYVRVYPEI-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104896170 765522732 /nfs/dbraw/zinc/52/27/32/765522732.db2.gz NEKCTWZZAUNQAU-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537419 770150343 /nfs/dbraw/zinc/15/03/43/770150343.db2.gz LVBFUAIKYJEKIW-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000995260535 782894424 /nfs/dbraw/zinc/89/44/24/782894424.db2.gz RQJNFAADRIWNDH-MOPGFXCFSA-N 2 0 342.487 2.012 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106767 782921523 /nfs/dbraw/zinc/92/15/23/782921523.db2.gz PXHVNCCBDNIRCV-FUHIMQAGSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258517 774204061 /nfs/dbraw/zinc/20/40/61/774204061.db2.gz WJJXBNWMCSUSBI-HSALFYBXSA-N 2 0 343.515 2.124 20 30 EEEDRP CC(C)(C)c1nc2c(o1)c(C#N)cnc2NC(=[NH2+])NCCCC[NH3+] ZINC001167878414 778955180 /nfs/dbraw/zinc/95/51/80/778955180.db2.gz QODQRGWPFRDKEZ-UHFFFAOYSA-N 2 0 329.408 2.067 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333222 779751474 /nfs/dbraw/zinc/75/14/74/779751474.db2.gz WMBYAUHOMIPNNN-NRSPTQNISA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793554 781606937 /nfs/dbraw/zinc/60/69/37/781606937.db2.gz IYTWDUOJNRGIBE-YQVWRLOYSA-N 2 0 331.504 2.360 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1C#N ZINC001087523468 781665361 /nfs/dbraw/zinc/66/53/61/781665361.db2.gz XBLNFFKMLKJNAA-IPMKNSEASA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CCC)CC3)CC1 ZINC001040947787 781737158 /nfs/dbraw/zinc/73/71/58/781737158.db2.gz GAORSJRXQOQYHD-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135317363 783600544 /nfs/dbraw/zinc/60/05/44/783600544.db2.gz YCSYLELKTWZYLL-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001135373351 783662841 /nfs/dbraw/zinc/66/28/41/783662841.db2.gz VWKHEGTTYLXBQF-UONOGXRCSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CCC=C)C3)CC2)CC1 ZINC001035257212 784206840 /nfs/dbraw/zinc/20/68/40/784206840.db2.gz SLHSGRIPKINQNX-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882299 784668024 /nfs/dbraw/zinc/66/80/24/784668024.db2.gz KHPYJBOSJGMGBZ-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826546 785190004 /nfs/dbraw/zinc/19/00/04/785190004.db2.gz PEEWOQXEVRRFME-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035838243 785262060 /nfs/dbraw/zinc/26/20/60/785262060.db2.gz WBEPKRGRVDENFZ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859478 788823809 /nfs/dbraw/zinc/82/38/09/788823809.db2.gz WQBMCTFVZBAZFQ-ZRNYENFQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089908409 789776210 /nfs/dbraw/zinc/77/62/10/789776210.db2.gz BDXPKYATVVEMNV-MUGJNUQGSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001146584476 791337176 /nfs/dbraw/zinc/33/71/76/791337176.db2.gz SMTQXOPUUSLLSS-MSOLQXFVSA-N 2 0 341.499 2.405 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573164 791873406 /nfs/dbraw/zinc/87/34/06/791873406.db2.gz VATYWCCITXUWPJ-SJLPKXTDSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677202 792148162 /nfs/dbraw/zinc/14/81/62/792148162.db2.gz MCKZAJYPBDSDRK-GGPKGHCWSA-N 2 0 331.504 2.075 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303215 793779055 /nfs/dbraw/zinc/77/90/55/793779055.db2.gz ZUDGJTFVIGKALM-DYXWJJEUSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941974 794271093 /nfs/dbraw/zinc/27/10/93/794271093.db2.gz NMPDZKGPHSZGQN-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151938725 794325347 /nfs/dbraw/zinc/32/53/47/794325347.db2.gz KBJCDMGHHVSXKO-XDNAFOTISA-N 2 0 348.535 2.183 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001093412240 795153586 /nfs/dbraw/zinc/15/35/86/795153586.db2.gz YUVRAHXMPOYYMS-PGYGNJIDSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841662 795423445 /nfs/dbraw/zinc/42/34/45/795423445.db2.gz BIHQQERADVXJNG-WOJBJXKFSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108033955 796066901 /nfs/dbraw/zinc/06/69/01/796066901.db2.gz PSIZERCYSPNENR-APWZRJJASA-N 2 0 339.524 2.279 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCC)C2)CC1 ZINC001036901964 796439241 /nfs/dbraw/zinc/43/92/41/796439241.db2.gz BLXLKPHQYMFQGW-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C/C=C\Cl)C2)CC1 ZINC001036904549 796447648 /nfs/dbraw/zinc/44/76/48/796447648.db2.gz UAUWWYGGPOHBJX-LDSUWCTBSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078749850 796924447 /nfs/dbraw/zinc/92/44/47/796924447.db2.gz QFHBTTJSXAHDGM-ROUUACIJSA-N 2 0 325.456 2.012 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001175056345 797964757 /nfs/dbraw/zinc/96/47/57/797964757.db2.gz MILFPGDJDPTUOR-HNNXBMFYSA-N 2 0 348.466 2.414 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000917098112 798076098 /nfs/dbraw/zinc/07/60/98/798076098.db2.gz RUNKTWLBSIEIPW-GOSISDBHSA-N 2 0 336.524 2.399 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504678 798104054 /nfs/dbraw/zinc/10/40/54/798104054.db2.gz XWGLXKUVCIZRIK-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564586 798498217 /nfs/dbraw/zinc/49/82/17/798498217.db2.gz RAARXCPEDJZAID-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC4CCCC4)C[C@H]32)CC1 ZINC001084850088 798503623 /nfs/dbraw/zinc/50/36/23/798503623.db2.gz JMOOVXVAPRSWKF-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001176926091 798630461 /nfs/dbraw/zinc/63/04/61/798630461.db2.gz GKYFTZAOJQSLPM-GOSISDBHSA-N 2 0 341.499 2.497 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176986407 798675476 /nfs/dbraw/zinc/67/54/76/798675476.db2.gz NHEMPWDKYJXDOX-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178534993 799512545 /nfs/dbraw/zinc/51/25/45/799512545.db2.gz FERJAQQFUQOGAL-QZTJIDSGSA-N 2 0 337.508 2.082 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001178990348 799735061 /nfs/dbraw/zinc/73/50/61/799735061.db2.gz UEWYVQXBVIEKBW-ZYSHUDEJSA-N 2 0 345.462 2.096 20 30 EEEDRP C=CCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003627056 799913439 /nfs/dbraw/zinc/91/34/39/799913439.db2.gz BQBMYIKFBPPRCP-SFHVURJKSA-N 2 0 325.472 2.356 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181721055 800879549 /nfs/dbraw/zinc/87/95/49/800879549.db2.gz WLNKGAXZPHCHMT-WSTZPKSXSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C ZINC001085646789 800952819 /nfs/dbraw/zinc/95/28/19/800952819.db2.gz PYLXNBBBOUKIIJ-PMACEKPBSA-N 2 0 339.483 2.125 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001183137955 801493482 /nfs/dbraw/zinc/49/34/82/801493482.db2.gz LRXUFZFAUHHBEC-SLYNCCJLSA-N 2 0 341.499 2.387 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085485 802106198 /nfs/dbraw/zinc/10/61/98/802106198.db2.gz HNACMYFOXFNTIT-JONQDZQNSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004459315 802125196 /nfs/dbraw/zinc/12/51/96/802125196.db2.gz PLPHYTRWFMFOAU-IBGZPJMESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001184883660 802224513 /nfs/dbraw/zinc/22/45/13/802224513.db2.gz WJGNLJSSJHHUFD-PKOBYXMFSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2CC1 ZINC000946628149 802367505 /nfs/dbraw/zinc/36/75/05/802367505.db2.gz JHZQUCACEIMUKM-RDGPPVDQSA-N 2 0 349.494 2.003 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349473 803336401 /nfs/dbraw/zinc/33/64/01/803336401.db2.gz HDYAZSFSNXRNPK-MJGOQNOKSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108345012 803342376 /nfs/dbraw/zinc/34/23/76/803342376.db2.gz WMBLCICJPFNKTO-LJQANCHMSA-N 2 0 349.519 2.036 20 30 EEEDRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437401468 1089669308 /nfs/dbraw/zinc/66/93/08/1089669308.db2.gz XFPZFSLWYUWLDC-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831700 1095888939 /nfs/dbraw/zinc/88/89/39/1095888939.db2.gz FJHPLHFWAKRMJT-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198555 1096477809 /nfs/dbraw/zinc/47/78/09/1096477809.db2.gz HAPHTQIIXGLJSC-LSDHHAIUSA-N 2 0 348.516 2.479 20 30 EEEDRP C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000377200521 154083234 /nfs/dbraw/zinc/08/32/34/154083234.db2.gz YRQIYOOXNJTIAD-UHFFFAOYSA-N 2 0 326.444 2.447 20 30 EEEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131928739 292395073 /nfs/dbraw/zinc/39/50/73/292395073.db2.gz KGLVLFSHCVPWEU-KRWDZBQOSA-N 2 0 339.395 2.494 20 30 EEEDRP CCC[N@H+](CCOc1cccc(C#N)c1)CCN1CC[NH+](CC)CC1 ZINC000344125553 161200396 /nfs/dbraw/zinc/20/03/96/161200396.db2.gz IAKIRJDERYSYOJ-UHFFFAOYSA-N 2 0 344.503 2.287 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000286474416 266148017 /nfs/dbraw/zinc/14/80/17/266148017.db2.gz PLHFGRIRUKEGSO-KRWDZBQOSA-N 2 0 346.450 2.185 20 30 EEEDRP CN(C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)C1(C#N)CCCCC1 ZINC000328884165 465156440 /nfs/dbraw/zinc/15/64/40/465156440.db2.gz YKJOGTHCSGFLQM-SFHVURJKSA-N 2 0 332.492 2.089 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000066921176 462946077 /nfs/dbraw/zinc/94/60/77/462946077.db2.gz BBZPFIMWTWVIFR-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223668 463555597 /nfs/dbraw/zinc/55/55/97/463555597.db2.gz QLDGTXRWSWHIMZ-GOSISDBHSA-N 2 0 343.475 2.438 20 30 EEEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OC ZINC000185877335 463897455 /nfs/dbraw/zinc/89/74/55/463897455.db2.gz JSMQNOAWFJDBMG-KRWDZBQOSA-N 2 0 347.503 2.376 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000171711482 463911210 /nfs/dbraw/zinc/91/12/10/463911210.db2.gz NJMGUWNOAOOFBT-GOSISDBHSA-N 2 0 336.524 2.447 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(Br)c1 ZINC000261969069 463913491 /nfs/dbraw/zinc/91/34/91/463913491.db2.gz CJBYUQXDGGEBAX-NSHDSACASA-N 2 0 345.310 2.399 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000264424097 464319351 /nfs/dbraw/zinc/31/93/51/464319351.db2.gz RQNDBHGWSFFWRF-QGZVFWFLSA-N 2 0 346.475 2.366 20 30 EEEDRP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593881774 468418603 /nfs/dbraw/zinc/41/86/03/468418603.db2.gz AZGWXIDWSPRXNM-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268099610 464949425 /nfs/dbraw/zinc/94/94/25/464949425.db2.gz WHULKCAGEHHUTQ-ZDUSSCGKSA-N 2 0 339.827 2.137 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000329687589 465405975 /nfs/dbraw/zinc/40/59/75/465405975.db2.gz BJDMPCLFLPFXPA-NVXWUHKLSA-N 2 0 345.491 2.032 20 30 EEEDRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(CC#N)CC1)c1ccccc1 ZINC000548442958 468436561 /nfs/dbraw/zinc/43/65/61/468436561.db2.gz OHQQNTSYJABZGU-SFHVURJKSA-N 2 0 328.460 2.031 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000417068066 466770164 /nfs/dbraw/zinc/77/01/64/466770164.db2.gz SDXCSVBXTYQWTG-OTWHNJEPSA-N 2 0 348.535 2.372 20 30 EEEDRP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418449257 467112958 /nfs/dbraw/zinc/11/29/58/467112958.db2.gz SMGFMPLHFXRBHI-SFHVURJKSA-N 2 0 345.491 2.005 20 30 EEEDRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000592018503 468598254 /nfs/dbraw/zinc/59/82/54/468598254.db2.gz UMMVXDQLOMNVHQ-SFHVURJKSA-N 2 0 328.460 2.051 20 30 EEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000602694086 469016698 /nfs/dbraw/zinc/01/66/98/469016698.db2.gz QLFISRJMRDNYHB-MRXNPFEDSA-N 2 0 342.487 2.413 20 30 EEEDRP C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCCC1 ZINC000574032833 469248667 /nfs/dbraw/zinc/24/86/67/469248667.db2.gz YFJJPUHBUOXOKW-MJGOQNOKSA-N 2 0 345.487 2.204 20 30 EEEDRP C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611564137 469280502 /nfs/dbraw/zinc/28/05/02/469280502.db2.gz NGOBTFDOPDCZBB-IEBWSBKVSA-N 2 0 326.488 2.475 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)C(C)C ZINC000616088339 469365993 /nfs/dbraw/zinc/36/59/93/469365993.db2.gz SNTYQKBGEWAWBF-LJQANCHMSA-N 2 0 348.535 2.422 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137453 469982880 /nfs/dbraw/zinc/98/28/80/469982880.db2.gz KWASMKCIXMMYFA-NZSAHSFTSA-N 2 0 345.487 2.297 20 30 EEEDRP CC#CC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641767027 470473083 /nfs/dbraw/zinc/47/30/83/470473083.db2.gz FWISHSKKRUYFPW-SFHVURJKSA-N 2 0 329.488 2.081 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681627 472203808 /nfs/dbraw/zinc/20/38/08/472203808.db2.gz KMIPVSMBJLQZPW-GDBMZVCRSA-N 2 0 347.425 2.343 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000171690532 526435332 /nfs/dbraw/zinc/43/53/32/526435332.db2.gz RJSMSGRCUDNWPM-OAHLLOKOSA-N 2 0 336.505 2.300 20 30 EEEDRP C=C(C)COc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1OC ZINC000105465734 526661799 /nfs/dbraw/zinc/66/17/99/526661799.db2.gz ZQXXPURFLMYAPS-QGZVFWFLSA-N 2 0 347.503 2.376 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000113320169 526744055 /nfs/dbraw/zinc/74/40/55/526744055.db2.gz BWWUHVPYAQVIFH-UHFFFAOYSA-N 2 0 329.488 2.204 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174155705 527028235 /nfs/dbraw/zinc/02/82/35/527028235.db2.gz GLYKAMVSBWPPJW-INIZCTEOSA-N 2 0 339.439 2.139 20 30 EEEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679612 675161910 /nfs/dbraw/zinc/16/19/10/675161910.db2.gz HCWZMVQJONBARZ-SJORKVTESA-N 2 0 331.504 2.101 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970499045 675940335 /nfs/dbraw/zinc/94/03/35/675940335.db2.gz MEJGJYMTBDDULC-QGZVFWFLSA-N 2 0 349.438 2.024 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001024039248 679772632 /nfs/dbraw/zinc/77/26/32/679772632.db2.gz SFJIIHGFCUJWNP-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP CCC[C@]1(C)CCCN(C(NC[C@@H]2C[N@H+](C)CCN2C)=[NH+]CC)C1 ZINC000261795881 681398647 /nfs/dbraw/zinc/39/86/47/681398647.db2.gz GNGRDLTUETZPON-IEBWSBKVSA-N 2 0 337.556 2.100 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)C)CC1 ZINC001024812424 681465725 /nfs/dbraw/zinc/46/57/25/681465725.db2.gz OSTMLZFHKNCRAT-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001024900410 681557325 /nfs/dbraw/zinc/55/73/25/681557325.db2.gz DGCSOJMORJVFEZ-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982617582 681789399 /nfs/dbraw/zinc/78/93/99/681789399.db2.gz OKNSWWIWBRCXBN-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624857 681836027 /nfs/dbraw/zinc/83/60/27/681836027.db2.gz UDSUKVLPBNOURT-SESVDKBCSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253978 682343049 /nfs/dbraw/zinc/34/30/49/682343049.db2.gz YSUKLSGYKQGDKA-MOPGFXCFSA-N 2 0 336.439 2.427 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC000992706582 683286569 /nfs/dbraw/zinc/28/65/69/683286569.db2.gz FLMKYDWOCQXESK-OWCLPIDISA-N 2 0 339.911 2.440 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984047270 684017285 /nfs/dbraw/zinc/01/72/85/684017285.db2.gz JPOHPHLHXNBEIL-ATZDWAIDSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000978705421 693821593 /nfs/dbraw/zinc/82/15/93/693821593.db2.gz BOHXKXUYMBVYOO-OWZKRDHZSA-N 2 0 341.499 2.274 20 30 EEEDRP C=C(Br)CNC(=[NH+]C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262424057 685997455 /nfs/dbraw/zinc/99/74/55/685997455.db2.gz CDNAWPCPLBCSAZ-CYBMUJFWSA-N 2 0 329.286 2.031 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3)[C@@H]2C)CC1 ZINC000987575408 689838330 /nfs/dbraw/zinc/83/83/30/689838330.db2.gz JSOLRDZHANHBEB-PXNSSMCTSA-N 2 0 339.483 2.111 20 30 EEEDRP N#CCCCNC(=O)[C@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716563 1191977401 /nfs/dbraw/zinc/97/74/01/1191977401.db2.gz HMPAZKGSLWYYIB-GOSISDBHSA-N 2 0 346.519 2.384 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001482022734 1183142191 /nfs/dbraw/zinc/14/21/91/1183142191.db2.gz MUPDTIXQQZZKJK-WGSAOQKQSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC000945177595 1193413815 /nfs/dbraw/zinc/41/38/15/1193413815.db2.gz BKFOCKMKKHRLNE-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001105485504 1188102344 /nfs/dbraw/zinc/10/23/44/1188102344.db2.gz KYGVLHLZWGRNKX-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414817 1194534506 /nfs/dbraw/zinc/53/45/06/1194534506.db2.gz FFVPELLPDJVHIS-APWZRJJASA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033423688 1194559901 /nfs/dbraw/zinc/55/99/01/1194559901.db2.gz UHQLKRATGPUDBI-INIZCTEOSA-N 2 0 346.475 2.383 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990245 1195607840 /nfs/dbraw/zinc/60/78/40/1195607840.db2.gz SYFMOLNSHKPNGR-IBGZPJMESA-N 2 0 327.472 2.308 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248824 1195983304 /nfs/dbraw/zinc/98/33/04/1195983304.db2.gz FYKZFLIYEPUYDB-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398957 1196190243 /nfs/dbraw/zinc/19/02/43/1196190243.db2.gz PRVZYKYONIODRD-VQIMIIECSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001034537380 1196356984 /nfs/dbraw/zinc/35/69/84/1196356984.db2.gz AZTZXBPMJOYNIZ-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001132266754 1199506330 /nfs/dbraw/zinc/50/63/30/1199506330.db2.gz ZQKXQEPGDMHCQP-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525746 1199821578 /nfs/dbraw/zinc/82/15/78/1199821578.db2.gz UZRAASFHHGXNGZ-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001132969788 1200238714 /nfs/dbraw/zinc/23/87/14/1200238714.db2.gz ICXVLDPYMCKBLQ-HOTGVXAUSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+](CC)CC ZINC001133407272 1200875089 /nfs/dbraw/zinc/87/50/89/1200875089.db2.gz AZIBGJMHZHYWOI-UHFFFAOYSA-N 2 0 335.879 2.233 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)CC1 ZINC000868815347 1201885824 /nfs/dbraw/zinc/88/58/24/1201885824.db2.gz YFMYONGMRFVVOP-UHFFFAOYSA-N 2 0 329.444 2.041 20 30 EEEDRP CCc1cnc(CNC(=[NH+]C)N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000130694793 1201993479 /nfs/dbraw/zinc/99/34/79/1201993479.db2.gz KDYAYVGPVDRXOV-CQSZACIVSA-N 2 0 335.521 2.199 20 30 EEEDRP CCCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000135109617 1202338092 /nfs/dbraw/zinc/33/80/92/1202338092.db2.gz OMDFWCXGCNCNAT-QGZVFWFLSA-N 2 0 332.492 2.407 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417293 1205719155 /nfs/dbraw/zinc/71/91/55/1205719155.db2.gz MHXWSUXENMTBPP-LMCOJAPRSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC001095556237 1205872850 /nfs/dbraw/zinc/87/28/50/1205872850.db2.gz GTDHXPPCDVJLRD-FYQPLNBISA-N 2 0 337.467 2.006 20 30 EEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000925440187 1206111888 /nfs/dbraw/zinc/11/18/88/1206111888.db2.gz HDEABGKVJVDNRE-HNNXBMFYSA-N 2 0 330.476 2.396 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948898450 1209443395 /nfs/dbraw/zinc/44/33/95/1209443395.db2.gz IVCLDARMCWPMEK-MOPGFXCFSA-N 2 0 327.472 2.372 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949388481 1209662345 /nfs/dbraw/zinc/66/23/45/1209662345.db2.gz BCNVBSYPZDHQSF-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636107 1215281397 /nfs/dbraw/zinc/28/13/97/1215281397.db2.gz YJFQBAQHXNDKFS-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP CC(C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000304755800 1216102421 /nfs/dbraw/zinc/10/24/21/1216102421.db2.gz NBYOLPCODCDPNI-UHFFFAOYSA-N 2 0 337.899 2.165 20 30 EEEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000304999400 1216127091 /nfs/dbraw/zinc/12/70/91/1216127091.db2.gz GSPKMDPOYLSOKW-CQSZACIVSA-N 2 0 334.464 2.408 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC000960042373 1216317640 /nfs/dbraw/zinc/31/76/40/1216317640.db2.gz GQVZCKDFTMBIKL-WMLDXEAASA-N 2 0 348.516 2.431 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226614 1217097668 /nfs/dbraw/zinc/09/76/68/1217097668.db2.gz BXTLPGCCWGFIDT-MOPGFXCFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000963426883 1217621033 /nfs/dbraw/zinc/62/10/33/1217621033.db2.gz DDXNKQXDDZODOE-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000964531069 1218433026 /nfs/dbraw/zinc/43/30/26/1218433026.db2.gz HFBXBVVPGZCANP-WZXTXQKWSA-N 2 0 331.504 2.454 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037856437 1219578900 /nfs/dbraw/zinc/57/89/00/1219578900.db2.gz ZAPPGZQKOLLMSF-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416781 1221288079 /nfs/dbraw/zinc/28/80/79/1221288079.db2.gz AYNFAAUEMBQWAT-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928163 1221678841 /nfs/dbraw/zinc/67/88/41/1221678841.db2.gz DHSNPAWMERQJJH-RTBURBONSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990413 1221723539 /nfs/dbraw/zinc/72/35/39/1221723539.db2.gz CVALCFORFWBZHN-MOPGFXCFSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990416 1221723653 /nfs/dbraw/zinc/72/36/53/1221723653.db2.gz CVALCFORFWBZHN-RTBURBONSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342188 1222182878 /nfs/dbraw/zinc/18/28/78/1222182878.db2.gz FNKPLBIQFSOSII-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602106 1222955836 /nfs/dbraw/zinc/95/58/36/1222955836.db2.gz HWYPDRKQZQRRKQ-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001038632601 1226610479 /nfs/dbraw/zinc/61/04/79/1226610479.db2.gz YTUJJSXPTCGTJO-SOUVJXGZSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828235 1226908642 /nfs/dbraw/zinc/90/86/42/1226908642.db2.gz DWYIWVSSIFEJAK-LSDHHAIUSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016984383 1227013626 /nfs/dbraw/zinc/01/36/26/1227013626.db2.gz YKUFEXCIIGNAEP-LJQANCHMSA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCC(C)C)CC3)CC1 ZINC001016985001 1227014404 /nfs/dbraw/zinc/01/44/04/1227014404.db2.gz HSMOAPAUGBMZLT-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CCC(=C)C)CC3)CC1 ZINC001016985979 1227015135 /nfs/dbraw/zinc/01/51/35/1227015135.db2.gz NUULTZDUKZMXLK-IBGZPJMESA-N 2 0 343.515 2.269 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018836456 1228444122 /nfs/dbraw/zinc/44/41/22/1228444122.db2.gz ADOWIGWRQQXJQH-OALUTQOASA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142231 1230359188 /nfs/dbraw/zinc/35/91/88/1230359188.db2.gz IATZWQDNCHLSKE-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039152409 1230371645 /nfs/dbraw/zinc/37/16/45/1230371645.db2.gz YTTKCCSFJCWUMH-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247003 1230482456 /nfs/dbraw/zinc/48/24/56/1230482456.db2.gz SONXBQUCEICNDI-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1COCCN1CCCC ZINC001039290953 1230512161 /nfs/dbraw/zinc/51/21/61/1230512161.db2.gz QHTZBPONRIRMNV-XVLXNVKGSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039447905 1230615994 /nfs/dbraw/zinc/61/59/94/1230615994.db2.gz OWHUPFMIXPVGJS-QYZOEREBSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874103 1231392708 /nfs/dbraw/zinc/39/27/08/1231392708.db2.gz BSLMLMOQGFMMTF-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040952969 1231408978 /nfs/dbraw/zinc/40/89/78/1231408978.db2.gz HITOFHRSMQWJIJ-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC[C@@H](C)F)C3)C2)CC1 ZINC001041844329 1231727857 /nfs/dbraw/zinc/72/78/57/1231727857.db2.gz GVJVAYQYCQJCGA-YLJYHZDGSA-N 2 0 349.494 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063232 1231862095 /nfs/dbraw/zinc/86/20/95/1231862095.db2.gz SUABWCKJRSAPQV-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123545 1231904336 /nfs/dbraw/zinc/90/43/36/1231904336.db2.gz SQXYLOIBLKSIOM-VQIMIIECSA-N 2 0 336.439 2.202 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297613 1232012700 /nfs/dbraw/zinc/01/27/00/1232012700.db2.gz RYVIDXCAKWJKOV-HKUYNNGSSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001043943908 1232631551 /nfs/dbraw/zinc/63/15/51/1232631551.db2.gz WTKBOMXSYZFFEL-MOPGFXCFSA-N 2 0 327.472 2.051 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859015 1233322119 /nfs/dbraw/zinc/32/21/19/1233322119.db2.gz YVEMNPJVIVMUOF-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=C)Cl)C[C@H]2C)CC1 ZINC001044871476 1233331984 /nfs/dbraw/zinc/33/19/84/1233331984.db2.gz KWWUMKWKWIPLJN-WBVHZDCISA-N 2 0 337.895 2.053 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001045205795 1233579207 /nfs/dbraw/zinc/57/92/07/1233579207.db2.gz YJGOMUWVSJFTIY-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096021207 1233691261 /nfs/dbraw/zinc/69/12/61/1233691261.db2.gz ZJNYASVGJDHGNF-AABGKKOBSA-N 2 0 339.483 2.149 20 30 EEEDRP C#CCC[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045557138 1233816325 /nfs/dbraw/zinc/81/63/25/1233816325.db2.gz VMCHUGXDDVGNOH-UHFFFAOYSA-N 2 0 341.499 2.398 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941299 1234198762 /nfs/dbraw/zinc/19/87/62/1234198762.db2.gz IPSLVIXIPAJONW-TZIWHRDSSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968488 1235370274 /nfs/dbraw/zinc/37/02/74/1235370274.db2.gz HYLGGYADRHHEAC-INIZCTEOSA-N 2 0 343.462 2.368 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252486 1235754230 /nfs/dbraw/zinc/75/42/30/1235754230.db2.gz DAMOXNJJNIRREK-IBGZPJMESA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556892 1237957804 /nfs/dbraw/zinc/95/78/04/1237957804.db2.gz XPSGGWBOTYKYMW-VBUUOAMHSA-N 2 0 343.471 2.337 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001000219661 1240072882 /nfs/dbraw/zinc/07/28/82/1240072882.db2.gz POIWDAWZEYTCNI-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146410 1240119398 /nfs/dbraw/zinc/11/93/98/1240119398.db2.gz FDEBYWPWEWEWHK-KDURUIRLSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001000995472 1241404612 /nfs/dbraw/zinc/40/46/12/1241404612.db2.gz YMTGPSCQXWZCFJ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001475390 1242345347 /nfs/dbraw/zinc/34/53/47/1242345347.db2.gz CWKAFWXBJLZIDN-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@H](F)CC)CC1 ZINC001049909737 1242659157 /nfs/dbraw/zinc/65/91/57/1242659157.db2.gz CDLJDCKLLAZETG-GUDVDZBRSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097078838 1243676370 /nfs/dbraw/zinc/67/63/70/1243676370.db2.gz BYVYWKKBQFKTMK-NBYUQASBSA-N 2 0 343.515 2.386 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097112906 1243718921 /nfs/dbraw/zinc/71/89/21/1243718921.db2.gz IZVCFRYEVPUVTJ-ZACQAIPSSA-N 2 0 328.460 2.060 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001050763563 1244314212 /nfs/dbraw/zinc/31/42/12/1244314212.db2.gz UEGMQMJDOMYVRP-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC2CCC2)CC3)CC1 ZINC001050764877 1244317223 /nfs/dbraw/zinc/31/72/23/1244317223.db2.gz IOEWOMUFQBYIMB-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965829 1245572455 /nfs/dbraw/zinc/57/24/55/1245572455.db2.gz BVKHVLTWJZFKNM-INIZCTEOSA-N 2 0 331.460 2.339 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108716 1245927936 /nfs/dbraw/zinc/92/79/36/1245927936.db2.gz WDWRNCKRFJKQPZ-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001101596141 1246004824 /nfs/dbraw/zinc/00/48/24/1246004824.db2.gz KUGBYQYILLEOAV-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254718 1246779718 /nfs/dbraw/zinc/77/97/18/1246779718.db2.gz OJMSLYGVNBJGMV-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448176 1247310442 /nfs/dbraw/zinc/31/04/42/1247310442.db2.gz WNQCUSOMRZLCMY-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145230 1247516933 /nfs/dbraw/zinc/51/69/33/1247516933.db2.gz NGQAKARLSJCDMS-TZIWHRDSSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145170 1247517340 /nfs/dbraw/zinc/51/73/40/1247517340.db2.gz LOIIQFXOZGEDGF-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186284 1247653781 /nfs/dbraw/zinc/65/37/81/1247653781.db2.gz PETPNGJCNGOZTO-LJQANCHMSA-N 2 0 331.460 2.455 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001054198229 1247692235 /nfs/dbraw/zinc/69/22/35/1247692235.db2.gz SOBQVCBLZKHOJZ-VQTJNVASSA-N 2 0 349.494 2.147 20 30 EEEDRP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243836 1254088011 /nfs/dbraw/zinc/08/80/11/1254088011.db2.gz MAHWBBBCAJONJP-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001072080998 1254919108 /nfs/dbraw/zinc/91/91/08/1254919108.db2.gz FHWCSCDSTGPLBX-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983157 1255546277 /nfs/dbraw/zinc/54/62/77/1255546277.db2.gz MIMDTXMCNGDJNR-IBGZPJMESA-N 2 0 337.483 2.309 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099552896 1258201517 /nfs/dbraw/zinc/20/15/17/1258201517.db2.gz QBZJNOUJPCANSU-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001187298318 1279498405 /nfs/dbraw/zinc/49/84/05/1279498405.db2.gz BKLFNYNZNRIZHF-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)CCC=C)C2)CC1 ZINC001194245553 1282956187 /nfs/dbraw/zinc/95/61/87/1282956187.db2.gz CBJVBBCJNXLMRN-PKOBYXMFSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896579 1294980873 /nfs/dbraw/zinc/98/08/73/1294980873.db2.gz GZULWXRERFFDEC-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001211234382 1295771564 /nfs/dbraw/zinc/77/15/64/1295771564.db2.gz YTUQJPQMNPDQKX-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974253 1296244887 /nfs/dbraw/zinc/24/48/87/1296244887.db2.gz ONCZFFPPSBGZKX-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122220 1296728444 /nfs/dbraw/zinc/72/84/44/1296728444.db2.gz NJPADVNZXCJSBW-CRAIPNDOSA-N 2 0 339.443 2.284 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216828188 1297307491 /nfs/dbraw/zinc/30/74/91/1297307491.db2.gz ANFDCELMABVECV-VQIMIIECSA-N 2 0 345.487 2.001 20 30 EEEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801629 1297543455 /nfs/dbraw/zinc/54/34/55/1297543455.db2.gz QBOQBEBWAQCKEL-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684617 1298248252 /nfs/dbraw/zinc/24/82/52/1298248252.db2.gz XNKNEPIBYSDUAW-XHSDSOJGSA-N 2 0 327.900 2.296 20 30 EEEDRP CC(C)CN(C(=O)[C@@H]([NH3+])Cc1ccccc1C#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188097 1298695143 /nfs/dbraw/zinc/69/51/43/1298695143.db2.gz NZGLSBRSHCZSOM-FHWLQOOXSA-N 2 0 342.487 2.183 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015922 1300143163 /nfs/dbraw/zinc/14/31/63/1300143163.db2.gz VPCDPUIGRUZFOY-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001224583708 1300659822 /nfs/dbraw/zinc/65/98/22/1300659822.db2.gz ZGOWWRCPYHDUAQ-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085129 1302190215 /nfs/dbraw/zinc/19/02/15/1302190215.db2.gz GYPDURSMQQMDKU-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103171547 1302379794 /nfs/dbraw/zinc/37/97/94/1302379794.db2.gz HILNYDQJSNWPCD-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229503878 1302822586 /nfs/dbraw/zinc/82/25/86/1302822586.db2.gz OEFFNFOAAMYIFZ-IAGOWNOFSA-N 2 0 348.516 2.479 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001277543607 1303871208 /nfs/dbraw/zinc/87/12/08/1303871208.db2.gz SSUIVCCDEDVJKA-WBVHZDCISA-N 2 0 332.879 2.279 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C(F)(F)F ZINC001112199052 1304322059 /nfs/dbraw/zinc/32/20/59/1304322059.db2.gz JSWSZWIKYVJHIW-TZMCWYRMSA-N 2 0 344.381 2.206 20 30 EEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001112355685 1304485295 /nfs/dbraw/zinc/48/52/95/1304485295.db2.gz NCLKNXKIENVDCQ-NSHGMRRFSA-N 2 0 331.504 2.123 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cnccc1OC)C2 ZINC001112424223 1304541464 /nfs/dbraw/zinc/54/14/64/1304541464.db2.gz RUIZGPUYOQVGFZ-LPHOPBHVSA-N 2 0 329.444 2.037 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001118149268 1306294852 /nfs/dbraw/zinc/29/48/52/1306294852.db2.gz BHIWBUIXDZPODX-QGZVFWFLSA-N 2 0 328.460 2.454 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121861800 1310157678 /nfs/dbraw/zinc/15/76/78/1310157678.db2.gz XLKGWPSKLVIHFT-WZXTXQKWSA-N 2 0 331.504 2.290 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246304296 1310276788 /nfs/dbraw/zinc/27/67/88/1310276788.db2.gz MEJLFEFIKYUISC-IKGGRYGDSA-N 2 0 325.497 2.114 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149399792 1315958314 /nfs/dbraw/zinc/95/83/14/1315958314.db2.gz TXOQFHNZJOXUDG-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150546769 1316296134 /nfs/dbraw/zinc/29/61/34/1316296134.db2.gz ICJNCJFIXWOWLG-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1)[NH+](C)C ZINC001154012437 1316936063 /nfs/dbraw/zinc/93/60/63/1316936063.db2.gz GQISVKAZPOEWIS-CRAIPNDOSA-N 2 0 330.476 2.225 20 30 EEEDRP C=CCOC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001252498921 1317618019 /nfs/dbraw/zinc/61/80/19/1317618019.db2.gz SIHLUNUWDHHIRI-HOJAQTOUSA-N 2 0 332.488 2.298 20 30 EEEDRP N#Cc1cc(-c2ccnc(Cl)n2)c(N[C@@H]([NH3+])CCC[NH3+])cc1F ZINC001159785334 1319989925 /nfs/dbraw/zinc/98/99/25/1319989925.db2.gz PDYFTOAPGVPPIM-CQSZACIVSA-N 2 0 334.786 2.243 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001160273119 1320119017 /nfs/dbraw/zinc/11/90/17/1320119017.db2.gz HSGAMCJEXYOKHK-KRWDZBQOSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001160645783 1320221047 /nfs/dbraw/zinc/22/10/47/1320221047.db2.gz KKEHDWHTGRWKGS-UHFFFAOYSA-N 2 0 349.438 2.043 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649617 1320570402 /nfs/dbraw/zinc/57/04/02/1320570402.db2.gz PCPHSUPMILMHNJ-AWEZNQCLSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161674793 1320583943 /nfs/dbraw/zinc/58/39/43/1320583943.db2.gz XEFHBICMYUJBCG-LJQANCHMSA-N 2 0 331.504 2.413 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704952 1320594107 /nfs/dbraw/zinc/59/41/07/1320594107.db2.gz MJLNBHQEEPULSH-MOPGFXCFSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](C/C=C\Cl)CC2)CC1 ZINC001161947103 1320689892 /nfs/dbraw/zinc/68/98/92/1320689892.db2.gz YDTXSKAGOYPHRT-OQFOIZHKSA-N 2 0 349.906 2.223 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001162928334 1320990186 /nfs/dbraw/zinc/99/01/86/1320990186.db2.gz GOJMMUMJILCJDY-LJQANCHMSA-N 2 0 341.499 2.012 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001205759752 1323288990 /nfs/dbraw/zinc/28/89/90/1323288990.db2.gz YJGJKOOPYYBWFP-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C=CCOCc1nn(C)c2c1C[N@@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208107946 1324319608 /nfs/dbraw/zinc/31/96/08/1324319608.db2.gz XWWZINJVEYVSGB-UHFFFAOYSA-N 2 0 332.492 2.213 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424469 1324489892 /nfs/dbraw/zinc/48/98/92/1324489892.db2.gz ZHFDENIMOJWXNC-PMACEKPBSA-N 2 0 339.483 2.103 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209691573 1325013328 /nfs/dbraw/zinc/01/33/28/1325013328.db2.gz XUFSHIFYBDGZNX-GOSISDBHSA-N 2 0 349.906 2.494 20 30 EEEDRP C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001574487020 1343678284 /nfs/dbraw/zinc/67/82/84/1343678284.db2.gz XUJLHHLSXOJLPT-IKGGRYGDSA-N 2 0 344.507 2.035 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001574973028 1343716150 /nfs/dbraw/zinc/71/61/50/1343716150.db2.gz RTAMLSMXKNIXDT-RAFMOHDBSA-N 2 0 339.483 2.429 20 30 EEEDRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201125266 1368786486 /nfs/dbraw/zinc/78/64/86/1368786486.db2.gz OYPQKZDVINNMNO-RTBURBONSA-N 2 0 348.450 2.146 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC=C(C)C)C2)CC1 ZINC001072096342 1370605941 /nfs/dbraw/zinc/60/59/41/1370605941.db2.gz XTFUEZTUQOWHOW-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854089 1371929233 /nfs/dbraw/zinc/92/92/33/1371929233.db2.gz LQBZPHFUGKJVFS-FUSSNKQKSA-N 2 0 331.504 2.291 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2C#N)CC1 ZINC001376827237 1378781151 /nfs/dbraw/zinc/78/11/51/1378781151.db2.gz FTBQLEYGHRTGSV-INIZCTEOSA-N 2 0 342.487 2.273 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2F)CCC1)[NH+](C)C ZINC001380868141 1381410928 /nfs/dbraw/zinc/41/09/28/1381410928.db2.gz KRGCDODGVBYMEW-QGZVFWFLSA-N 2 0 346.450 2.166 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001391801888 1389612857 /nfs/dbraw/zinc/61/28/57/1389612857.db2.gz OGSJZSUNXVBLES-UYAOXDASSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccc(C#N)s1 ZINC001391900533 1389697056 /nfs/dbraw/zinc/69/70/56/1389697056.db2.gz FPMQLUQODVTAEO-CQSZACIVSA-N 2 0 346.500 2.090 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001394141939 1390632534 /nfs/dbraw/zinc/63/25/34/1390632534.db2.gz PZZJRKBNEPMNKB-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001394569828 1390731844 /nfs/dbraw/zinc/73/18/44/1390731844.db2.gz XOLVYJYCMBRJHU-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001752920703 1406548900 /nfs/dbraw/zinc/54/89/00/1406548900.db2.gz FCCXNGACSUXLIF-ZWKOTPCHSA-N 2 0 341.499 2.496 20 30 EEEDRP C=C(Br)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001398838232 1394221400 /nfs/dbraw/zinc/22/14/00/1394221400.db2.gz HDDNZIYQGGKPJA-UHFFFAOYSA-N 2 0 346.313 2.254 20 30 EEEDRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccccc1C#N ZINC001400846215 1396655090 /nfs/dbraw/zinc/65/50/90/1396655090.db2.gz DJHHAHKAFFEHOM-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001403067483 1398332462 /nfs/dbraw/zinc/33/24/62/1398332462.db2.gz NWHUMOAZLQEYPC-OAHLLOKOSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755026429 1407049844 /nfs/dbraw/zinc/04/98/44/1407049844.db2.gz PHZFXEAWUDDNCA-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001423104514 1400420757 /nfs/dbraw/zinc/42/07/57/1400420757.db2.gz NAKXOFASACUOHD-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001423672735 1400735163 /nfs/dbraw/zinc/73/51/63/1400735163.db2.gz HHPSZIAORNCYPQ-RUXDESIVSA-N 2 0 346.313 2.060 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423958851 1400828005 /nfs/dbraw/zinc/82/80/05/1400828005.db2.gz XDLIQRHXILLGEQ-ZIAGYGMSSA-N 2 0 346.313 2.063 20 30 EEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001755184705 1407188506 /nfs/dbraw/zinc/18/85/06/1407188506.db2.gz DIGRRTSXYKHYEV-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CCC[NH+](C)C ZINC001425876303 1401785352 /nfs/dbraw/zinc/78/53/52/1401785352.db2.gz JWCAFTKLBCHMQA-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cc1 ZINC001574735642 1403525523 /nfs/dbraw/zinc/52/55/23/1403525523.db2.gz LNERABGONOTQHH-UHFFFAOYSA-N 2 0 347.422 2.028 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001732745679 1405969199 /nfs/dbraw/zinc/96/91/99/1405969199.db2.gz JPXULXBUHGVCRQ-KSSFIOAISA-N 2 0 348.466 2.268 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001755604701 1407674208 /nfs/dbraw/zinc/67/42/08/1407674208.db2.gz BGFKHOCKCJNNGK-HNNXBMFYSA-N 2 0 335.879 2.080 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112396849 1410896082 /nfs/dbraw/zinc/89/60/82/1410896082.db2.gz HCRIIKOYFNNQCT-ZJOUEHCJSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537003 1411034923 /nfs/dbraw/zinc/03/49/23/1411034923.db2.gz RNQWCHZHLSQCCD-QZTJIDSGSA-N 2 0 331.504 2.293 20 30 EEEDRP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000846612181 790279322 /nfs/dbraw/zinc/27/93/22/790279322.db2.gz ONUNNNIXQIWCEE-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595665 762022298 /nfs/dbraw/zinc/02/22/98/762022298.db2.gz XRXKLMYYRKDOSJ-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP C[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001167608525 760722450 /nfs/dbraw/zinc/72/24/50/760722450.db2.gz FLYYVVMJRLOBKW-LJQANCHMSA-N 2 0 341.499 2.399 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167627571 760769022 /nfs/dbraw/zinc/76/90/22/760769022.db2.gz PQBCCYIBVCZZLI-QGZVFWFLSA-N 2 0 348.516 2.479 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087302900 761540408 /nfs/dbraw/zinc/54/04/08/761540408.db2.gz BYPXDZAVKMKIRZ-NZSAHSFTSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001098605217 765090052 /nfs/dbraw/zinc/09/00/52/765090052.db2.gz GYXAJNHMPVGDLL-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166325 783011111 /nfs/dbraw/zinc/01/11/11/783011111.db2.gz VOESGSWRSVDMBS-UXHICEINSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(C)C)C[C@H]3C2)CC1 ZINC000980251729 774191586 /nfs/dbraw/zinc/19/15/86/774191586.db2.gz GCUIFWIAONSPQL-VAMGGRTRSA-N 2 0 345.531 2.204 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098529 783191027 /nfs/dbraw/zinc/19/10/27/783191027.db2.gz UWUXZSFLEJKCNL-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC000981365184 777259648 /nfs/dbraw/zinc/25/96/48/777259648.db2.gz JRMYIBDFMYOMJB-ICSRJNTNSA-N 2 0 339.483 2.380 20 30 EEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957606 778657772 /nfs/dbraw/zinc/65/77/72/778657772.db2.gz NIBSUXIIENTIID-SFHVURJKSA-N 2 0 325.472 2.309 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087441389 779952916 /nfs/dbraw/zinc/95/29/16/779952916.db2.gz FCKOQBDPMHPNKB-MISYRCLQSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327207 783517243 /nfs/dbraw/zinc/51/72/43/783517243.db2.gz IALYCZZPQRARGC-HZPDHXFCSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185865932 783964692 /nfs/dbraw/zinc/96/46/92/783964692.db2.gz ZWXMMXRFPYNFII-IRXDYDNUSA-N 2 0 330.476 2.093 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035201621 784043888 /nfs/dbraw/zinc/04/38/88/784043888.db2.gz LUDUDKAWLALJHB-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244112 784175428 /nfs/dbraw/zinc/17/54/28/784175428.db2.gz IXCXNWBRJQPUIC-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC1CC[NH+](CC(=O)NCC[NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001135688350 784248588 /nfs/dbraw/zinc/24/85/88/784248588.db2.gz MXYZKNAUXCDXDV-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858094 784640988 /nfs/dbraw/zinc/64/09/88/784640988.db2.gz SJTZAOIZMOOYRQ-ZWKOTPCHSA-N 2 0 329.488 2.253 20 30 EEEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135927602 784809498 /nfs/dbraw/zinc/80/94/98/784809498.db2.gz JBUYDPHWCVJMPK-IRXDYDNUSA-N 2 0 329.529 2.408 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086808914 784870247 /nfs/dbraw/zinc/87/02/47/784870247.db2.gz JIYUZUXFQFZWHZ-NBYUQASBSA-N 2 0 341.499 2.392 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995900816 785799592 /nfs/dbraw/zinc/79/95/92/785799592.db2.gz ZUKWLTAJFQIZJV-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996667143 787030571 /nfs/dbraw/zinc/03/05/71/787030571.db2.gz UDBIKQCWMFGHFD-HNNXBMFYSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996675319 787102442 /nfs/dbraw/zinc/10/24/42/787102442.db2.gz XPSOPDFZOWTDGR-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107483379 787399290 /nfs/dbraw/zinc/39/92/90/787399290.db2.gz WCGAPFXDJZGTNG-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567827 787676126 /nfs/dbraw/zinc/67/61/26/787676126.db2.gz MMSPMYMLQWAHHF-UYAOXDASSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)CC2)C1 ZINC001030024716 788198669 /nfs/dbraw/zinc/19/86/69/788198669.db2.gz LVSYGRBYSRNOLQ-TUNPWDSISA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005986755 789156401 /nfs/dbraw/zinc/15/64/01/789156401.db2.gz LTKBVWUTKUFLHB-LJQANCHMSA-N 2 0 337.483 2.145 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354694 789434558 /nfs/dbraw/zinc/43/45/58/789434558.db2.gz UWQLQHHFIGJZIW-GOSISDBHSA-N 2 0 331.460 2.139 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168395214 789528867 /nfs/dbraw/zinc/52/88/67/789528867.db2.gz QPCRARHRPJIXOK-UHFFFAOYSA-N 2 0 346.563 2.152 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006130078 789723370 /nfs/dbraw/zinc/72/33/70/789723370.db2.gz DDNUUNUMWGXRHW-UHFFFAOYSA-N 2 0 327.472 2.308 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594827 791365871 /nfs/dbraw/zinc/36/58/71/791365871.db2.gz VHRVLCRRQQXLGL-MSOLQXFVSA-N 2 0 329.488 2.251 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942516 793035792 /nfs/dbraw/zinc/03/57/92/793035792.db2.gz UHNSMLSFYYGGFP-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932437 793067483 /nfs/dbraw/zinc/06/74/83/793067483.db2.gz KWRDAQILJIWWIL-MRXNPFEDSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153152 793746402 /nfs/dbraw/zinc/74/64/02/793746402.db2.gz GSBVRRQELZVHTB-QGZVFWFLSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC000992515496 794471376 /nfs/dbraw/zinc/47/13/76/794471376.db2.gz ZEXGNIFBFFPLNY-CTNGQTDRSA-N 2 0 343.515 2.411 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120299 794652748 /nfs/dbraw/zinc/65/27/48/794652748.db2.gz FUPPISFECJTWLV-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093371979 795103561 /nfs/dbraw/zinc/10/35/61/795103561.db2.gz XNEQPGIVYIRBJZ-GOSISDBHSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001093407838 795145683 /nfs/dbraw/zinc/14/56/83/795145683.db2.gz MJBKEGMSHYZZOR-PGYGNJIDSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC001127322184 795397401 /nfs/dbraw/zinc/39/74/01/795397401.db2.gz NGHSLIGJYMWXBN-UHFFFAOYSA-N 2 0 334.489 2.090 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ccnc2C(C)C)C12CCC2 ZINC001203453620 796396744 /nfs/dbraw/zinc/39/67/44/796396744.db2.gz UGWVOQGCFGOTJV-HZPDHXFCSA-N 2 0 328.460 2.047 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820007 797025185 /nfs/dbraw/zinc/02/51/85/797025185.db2.gz TZXIUDURYBXSLR-RBUKOAKNSA-N 2 0 343.515 2.149 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001001833930 797264538 /nfs/dbraw/zinc/26/45/38/797264538.db2.gz MTKWRGPKEFZRRV-QGZVFWFLSA-N 2 0 330.476 2.158 20 30 EEEDRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082740714 797674541 /nfs/dbraw/zinc/67/45/41/797674541.db2.gz DCSHFXVRUVLQFO-CKEIUWERSA-N 2 0 346.500 2.041 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884483 797702206 /nfs/dbraw/zinc/70/22/06/797702206.db2.gz GVTXYCFXEWIHFQ-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154369739 798194930 /nfs/dbraw/zinc/19/49/30/798194930.db2.gz HFDDTLKLBFJWCL-GOSISDBHSA-N 2 0 329.488 2.377 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175950939 798308292 /nfs/dbraw/zinc/30/82/92/798308292.db2.gz FOOWNHPVDBXIJJ-QGZVFWFLSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(CC)CC)C[C@H]32)CC1 ZINC001084851033 798501597 /nfs/dbraw/zinc/50/15/97/798501597.db2.gz JWIGRAWAAUCURL-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cccc(CC)c2)CC1 ZINC001176926649 798631079 /nfs/dbraw/zinc/63/10/79/798631079.db2.gz RIFVIVLMAGFGAZ-UHFFFAOYSA-N 2 0 341.499 2.190 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCc2ccsc2)CC1 ZINC001176926868 798631085 /nfs/dbraw/zinc/63/10/85/798631085.db2.gz YFTUJMDFUMCRRV-UHFFFAOYSA-N 2 0 347.528 2.122 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176986521 798675309 /nfs/dbraw/zinc/67/53/09/798675309.db2.gz QGZUQWIHYMWANJ-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085152888 798728246 /nfs/dbraw/zinc/72/82/46/798728246.db2.gz VCEFEIFLEHLISS-BRWVUGGUSA-N 2 0 346.500 2.231 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177415713 798934073 /nfs/dbraw/zinc/93/40/73/798934073.db2.gz JAKOSMMFZPQXPU-PKOBYXMFSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC000946628020 802366833 /nfs/dbraw/zinc/36/68/33/802366833.db2.gz HLRFEPLVCBSXLI-ZCNNSNEGSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](F)CC)C[C@H]2CC1 ZINC000946628147 802368038 /nfs/dbraw/zinc/36/80/38/802368038.db2.gz JHZQUCACEIMUKM-HCXYKTFWSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004602408 802447922 /nfs/dbraw/zinc/44/79/22/802447922.db2.gz SZDWSXXIEMGCLF-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001169126638 803622992 /nfs/dbraw/zinc/62/29/92/803622992.db2.gz CFWVLAOMPGMAMF-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808716 804084972 /nfs/dbraw/zinc/08/49/72/804084972.db2.gz DHAQLQQFWXXCNM-APWZRJJASA-N 2 0 342.487 2.417 20 30 EEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364316 804508956 /nfs/dbraw/zinc/50/89/56/804508956.db2.gz SAUIEVMXKIUSGZ-GOSISDBHSA-N 2 0 339.524 2.306 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001437020923 1088812672 /nfs/dbraw/zinc/81/26/72/1088812672.db2.gz LFWFOXYPVBEYCO-KGLIPLIRSA-N 2 0 346.313 2.063 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001437022437 1088815219 /nfs/dbraw/zinc/81/52/19/1088815219.db2.gz QDGAASLNTNJBOW-CQSZACIVSA-N 2 0 346.313 2.065 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001440292503 1093416428 /nfs/dbraw/zinc/41/64/28/1093416428.db2.gz SGBJQGNGQKFTLI-OKILXGFUSA-N 2 0 346.500 2.088 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001444714209 1099575516 /nfs/dbraw/zinc/57/55/16/1099575516.db2.gz CCWFIYYUMDVZQU-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)CC1 ZINC001498152232 1106991962 /nfs/dbraw/zinc/99/19/62/1106991962.db2.gz VXFCIGHYHXUXGD-INIZCTEOSA-N 2 0 342.487 2.273 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001568150276 1124327039 /nfs/dbraw/zinc/32/70/39/1124327039.db2.gz BKQLSFFHYFMWCB-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442767272 242109361 /nfs/dbraw/zinc/10/93/61/242109361.db2.gz MJWMXKLUBYWLTP-WMZOPIPTSA-N 2 0 331.460 2.425 20 30 EEEDRP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)cc(C#N)c1[N+](=O)[O-] ZINC000343785798 161168172 /nfs/dbraw/zinc/16/81/72/161168172.db2.gz GOXMAVYAFTZNRJ-QWHCGFSZSA-N 2 0 348.451 2.190 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000299602504 268254411 /nfs/dbraw/zinc/25/44/11/268254411.db2.gz VYUNKNBPYMGLER-UHFFFAOYSA-N 2 0 335.455 2.255 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000491679082 468362119 /nfs/dbraw/zinc/36/21/19/468362119.db2.gz WJGAQWXTOOHNAE-UHFFFAOYSA-N 2 0 333.520 2.302 20 30 EEEDRP C[C@H](CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)c1)[NH+](C)C ZINC000277033350 463850684 /nfs/dbraw/zinc/85/06/84/463850684.db2.gz FHKJASNLVXGRDO-CHWSQXEVSA-N 2 0 348.451 2.190 20 30 EEEDRP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262470066 464029391 /nfs/dbraw/zinc/02/93/91/464029391.db2.gz OQFNIQWECXDXNQ-OAHLLOKOSA-N 2 0 346.504 2.031 20 30 EEEDRP C[NH+]=C(NCc1ccc(Cl)cc1OC)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262822631 464048425 /nfs/dbraw/zinc/04/84/25/464048425.db2.gz XLYJNEUAYLEKJN-MRXNPFEDSA-N 2 0 348.878 2.370 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264027729 464274791 /nfs/dbraw/zinc/27/47/91/464274791.db2.gz CFGDRXVBEOZOAI-UHFFFAOYSA-N 2 0 330.432 2.085 20 30 EEEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597004297 468414835 /nfs/dbraw/zinc/41/48/35/468414835.db2.gz ZIMAXNMEIZGZPI-FQEVSTJZSA-N 2 0 338.499 2.454 20 30 EEEDRP C[C@@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1C#N ZINC000286592529 464971972 /nfs/dbraw/zinc/97/19/72/464971972.db2.gz ZCXQNCVIZWLGNZ-STQMWFEESA-N 2 0 348.451 2.190 20 30 EEEDRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H](C)[NH3+] ZINC000593918307 468432465 /nfs/dbraw/zinc/43/24/65/468432465.db2.gz DXKGEGCPLRETSL-HNAYVOBHSA-N 2 0 342.487 2.258 20 30 EEEDRP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1C#N ZINC000349034749 465931518 /nfs/dbraw/zinc/93/15/18/465931518.db2.gz FTZRFNVUGZRGHQ-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP CN(Cc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367116872 466138727 /nfs/dbraw/zinc/13/87/27/466138727.db2.gz IYUMONBDJZRAFG-SFHVURJKSA-N 2 0 330.451 2.298 20 30 EEEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000411445074 466826653 /nfs/dbraw/zinc/82/66/53/466826653.db2.gz GBZRSELRKJOYFC-OAHLLOKOSA-N 2 0 328.460 2.198 20 30 EEEDRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424153431 466991937 /nfs/dbraw/zinc/99/19/37/466991937.db2.gz KZOCCESHIHTHNO-OALUTQOASA-N 2 0 342.487 2.378 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000566110149 468144796 /nfs/dbraw/zinc/14/47/96/468144796.db2.gz XZVYKIRTNJRAGV-LJQANCHMSA-N 2 0 332.488 2.476 20 30 EEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C#N)c(F)c3)c2)CC1 ZINC000601069261 468733817 /nfs/dbraw/zinc/73/38/17/468733817.db2.gz SPPFJFNPLGXPPU-UHFFFAOYSA-N 2 0 325.391 2.456 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000598603958 468929588 /nfs/dbraw/zinc/92/95/88/468929588.db2.gz MCJMLRFYYVOLJV-GOSISDBHSA-N 2 0 337.508 2.112 20 30 EEEDRP N#Cc1ncn(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602654520 468990887 /nfs/dbraw/zinc/99/08/87/468990887.db2.gz MTPLTISVMMMBDV-WMZOPIPTSA-N 2 0 336.443 2.107 20 30 EEEDRP N#CCCNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762927731 577711609 /nfs/dbraw/zinc/71/16/09/577711609.db2.gz VCVPXTHCVKPPTI-UHFFFAOYSA-N 2 0 340.471 2.004 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753935780 577796666 /nfs/dbraw/zinc/79/66/66/577796666.db2.gz PQVJZBUDBQRQDM-OLMNPRSZSA-N 2 0 340.475 2.139 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001021590447 676245446 /nfs/dbraw/zinc/24/54/46/676245446.db2.gz GBHGIFKEGUJHCE-AEFFLSMTSA-N 2 0 342.487 2.261 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800730 676811515 /nfs/dbraw/zinc/81/15/15/676811515.db2.gz LYBQAWXIWVVXFE-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023125717 679134800 /nfs/dbraw/zinc/13/48/00/679134800.db2.gz VYXRDONZPWBCJG-STEAMIEHSA-N 2 0 340.471 2.168 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262356304 679271053 /nfs/dbraw/zinc/27/10/53/679271053.db2.gz FZOBLAMFNSZOCO-GVDBMIGSSA-N 2 0 334.508 2.005 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024478538 679951609 /nfs/dbraw/zinc/95/16/09/679951609.db2.gz SPRVEURRMPQDSJ-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712468 681373260 /nfs/dbraw/zinc/37/32/60/681373260.db2.gz YXFKRZBNANWHJV-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616036 681801447 /nfs/dbraw/zinc/80/14/47/681801447.db2.gz BCAAOJGJCBAXMV-SESVDKBCSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631234 683169420 /nfs/dbraw/zinc/16/94/20/683169420.db2.gz YSGLFPNICKTMDZ-IRXDYDNUSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001026302076 684220038 /nfs/dbraw/zinc/22/00/38/684220038.db2.gz JMXFWULGGSEUJA-HRCADAONSA-N 2 0 337.895 2.194 20 30 EEEDRP C#Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000896043199 684816430 /nfs/dbraw/zinc/81/64/30/684816430.db2.gz OBJVNSLYEHDQGL-IBGZPJMESA-N 2 0 327.472 2.156 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)CC1(C)C ZINC000974683047 685231097 /nfs/dbraw/zinc/23/10/97/685231097.db2.gz BFWDINFTTAETHD-DLBZAZTESA-N 2 0 345.512 2.172 20 30 EEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000985439825 686733722 /nfs/dbraw/zinc/73/37/22/686733722.db2.gz AQEJFYCBZVTCGG-JKSUJKDBSA-N 2 0 327.900 2.392 20 30 EEEDRP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262620191 687605814 /nfs/dbraw/zinc/60/58/14/687605814.db2.gz CNEUXSCKBZPPKE-HNNXBMFYSA-N 2 0 335.521 2.396 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@H]2C)CC1 ZINC000987566937 689842937 /nfs/dbraw/zinc/84/29/37/689842937.db2.gz CPOKVSAZSOKTCI-QAPCUYQASA-N 2 0 345.512 2.172 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C[C@H]2C)CC1 ZINC000989829353 692355545 /nfs/dbraw/zinc/35/55/45/692355545.db2.gz RTYKDOHHLYUFKP-QAPCUYQASA-N 2 0 345.512 2.172 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541927 692788030 /nfs/dbraw/zinc/78/80/30/692788030.db2.gz DGDINJRXENBCRR-OALUTQOASA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCN1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272715989 1191976513 /nfs/dbraw/zinc/97/65/13/1191976513.db2.gz BQTKOTKBGHNAFA-HXUWFJFHSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645281 1193464252 /nfs/dbraw/zinc/46/42/52/1193464252.db2.gz VHEIBNUXOPYLJF-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001105444242 1187183584 /nfs/dbraw/zinc/18/35/84/1187183584.db2.gz CDVLTYJMPHXVRA-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001105474205 1188037247 /nfs/dbraw/zinc/03/72/47/1188037247.db2.gz ALZXPFSNDJXEKM-TVRKMHQQSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574901 1188189073 /nfs/dbraw/zinc/18/90/73/1188189073.db2.gz LLZWTPIXJKMVBA-GOSISDBHSA-N 2 0 343.515 2.247 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001486124251 1193688617 /nfs/dbraw/zinc/68/86/17/1193688617.db2.gz NJLMLMWYIKQZPJ-FUHWJXTLSA-N 2 0 349.906 2.492 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485264691 1191710613 /nfs/dbraw/zinc/71/06/13/1191710613.db2.gz JIAZAVDHIDAMAC-SFHVURJKSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414825 1194534033 /nfs/dbraw/zinc/53/40/33/1194534033.db2.gz FFVPELLPDJVHIS-QFBILLFUSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304327 1196093141 /nfs/dbraw/zinc/09/31/41/1196093141.db2.gz RQEDHZCXRHIYSU-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304646 1196094291 /nfs/dbraw/zinc/09/42/91/1196094291.db2.gz WKCNVFLLWLHDBN-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413400 1196210617 /nfs/dbraw/zinc/21/06/17/1196210617.db2.gz IBKLXPHTZDCTNA-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001202540357 1198894741 /nfs/dbraw/zinc/89/47/41/1198894741.db2.gz VXNNBSWMMMACFQ-UHFFFAOYSA-N 2 0 349.906 2.494 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140551 1199349069 /nfs/dbraw/zinc/34/90/69/1199349069.db2.gz IWRBZYLAMPCUCL-SJORKVTESA-N 2 0 330.476 2.453 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140550 1199349736 /nfs/dbraw/zinc/34/97/36/1199349736.db2.gz IWRBZYLAMPCUCL-IRXDYDNUSA-N 2 0 330.476 2.453 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411395 1199680770 /nfs/dbraw/zinc/68/07/70/1199680770.db2.gz ZDARCUQIMXBZTA-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213845 1200601092 /nfs/dbraw/zinc/60/10/92/1200601092.db2.gz SVLOQGMRQROCHW-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338142 1200762420 /nfs/dbraw/zinc/76/24/20/1200762420.db2.gz SERPXSHUVLXOSO-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C[NH+](C)CCN1CCC2(C[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001274892707 1205202427 /nfs/dbraw/zinc/20/24/27/1205202427.db2.gz XOTWLUGNFKQHBO-UHFFFAOYSA-N 2 0 326.488 2.060 20 30 EEEDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC001275034950 1205240703 /nfs/dbraw/zinc/24/07/03/1205240703.db2.gz SDTZHKRNFSUFQF-HXUWFJFHSA-N 2 0 341.503 2.193 20 30 EEEDRP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)[nH]n1 ZINC001275209673 1205282521 /nfs/dbraw/zinc/28/25/21/1205282521.db2.gz YXEVAEDNPXBWQS-UHFFFAOYSA-N 2 0 338.459 2.026 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001275367419 1205324014 /nfs/dbraw/zinc/32/40/14/1205324014.db2.gz KSTAGEMGMGFTEX-HDICACEKSA-N 2 0 337.471 2.250 20 30 EEEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001443337458 1205389849 /nfs/dbraw/zinc/38/98/49/1205389849.db2.gz VEVJYRKYAQRRNT-UHFFFAOYSA-N 2 0 327.900 2.394 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2CC1 ZINC001275968592 1205607901 /nfs/dbraw/zinc/60/79/01/1205607901.db2.gz DOWVLJKGLAIVEN-BGYRXZFFSA-N 2 0 326.488 2.264 20 30 EEEDRP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155814480 1208336615 /nfs/dbraw/zinc/33/66/15/1208336615.db2.gz XRGPIJDEZAZSFH-CYBMUJFWSA-N 2 0 335.496 2.467 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568094 1208624248 /nfs/dbraw/zinc/62/42/48/1208624248.db2.gz JDEBINRDLFFPJL-HKUYNNGSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C ZINC000947723359 1208687330 /nfs/dbraw/zinc/68/73/30/1208687330.db2.gz VKNLITPEBANVKK-HOTGVXAUSA-N 2 0 346.475 2.429 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303697429 1213890668 /nfs/dbraw/zinc/89/06/68/1213890668.db2.gz FQGDSRRHBVKSHR-UHFFFAOYSA-N 2 0 337.899 2.119 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957569172 1215219560 /nfs/dbraw/zinc/21/95/60/1215219560.db2.gz YKNTWHBNQVTMIZ-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957647758 1215295312 /nfs/dbraw/zinc/29/53/12/1215295312.db2.gz VHNSLDYBGWDUTC-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)ccc1OC(F)F ZINC000305007613 1216131607 /nfs/dbraw/zinc/13/16/07/1216131607.db2.gz JJOVXJLMOKGGKQ-CQSZACIVSA-N 2 0 340.418 2.485 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219763 1217094997 /nfs/dbraw/zinc/09/49/97/1217094997.db2.gz KEUGGVULIMHXLC-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961367007 1217160647 /nfs/dbraw/zinc/16/06/47/1217160647.db2.gz KPXXAOQIIBKHFC-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961407359 1217178676 /nfs/dbraw/zinc/17/86/76/1217178676.db2.gz XFQFYWYVDRDING-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963352482 1217546805 /nfs/dbraw/zinc/54/68/05/1217546805.db2.gz NPNIPOHXTLLLRG-FUHWJXTLSA-N 2 0 343.471 2.291 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962255790 1217573771 /nfs/dbraw/zinc/57/37/71/1217573771.db2.gz PLOTZEGMNLMFNH-BWTSREIZSA-N 2 0 331.504 2.121 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1CC ZINC001037983511 1220878682 /nfs/dbraw/zinc/87/86/82/1220878682.db2.gz NKCLANDPOFJHKO-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(C)C)[C@@H](CC)C2)CC1 ZINC001037983812 1220880738 /nfs/dbraw/zinc/88/07/38/1220880738.db2.gz OXHOXHBYTLMHBI-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016621286 1226694380 /nfs/dbraw/zinc/69/43/80/1226694380.db2.gz NWITWPXAQGLLCN-QZTJIDSGSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001016823020 1226905211 /nfs/dbraw/zinc/90/52/11/1226905211.db2.gz KKZGKWMEZMBKBF-GOEBONIOSA-N 2 0 328.460 2.376 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001019383796 1229054685 /nfs/dbraw/zinc/05/46/85/1229054685.db2.gz NGZUGNDBUYQPLJ-XJKSGUPXSA-N 2 0 331.863 2.142 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020214021 1229558651 /nfs/dbraw/zinc/55/86/51/1229558651.db2.gz DVHWVKGVJVZGBI-ZQIUZPCESA-N 2 0 346.500 2.231 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131504 1230340275 /nfs/dbraw/zinc/34/02/75/1230340275.db2.gz NXZZYWZOYALSER-OALUTQOASA-N 2 0 331.504 2.075 20 30 EEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039281610 1230507195 /nfs/dbraw/zinc/50/71/95/1230507195.db2.gz UJDUIDUUNZVTLL-IPQPSQTFSA-N 2 0 331.504 2.406 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039423965 1230601849 /nfs/dbraw/zinc/60/18/49/1230601849.db2.gz VNCBFYCVUPCNOT-OTWHNJEPSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040242720 1231128336 /nfs/dbraw/zinc/12/83/36/1231128336.db2.gz ZZFNMTASECDMAG-TZIWHRDSSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040731874 1231351231 /nfs/dbraw/zinc/35/12/31/1231351231.db2.gz CRZNCIGWUIPSFQ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912564 1231402903 /nfs/dbraw/zinc/40/29/03/1231402903.db2.gz QTTMWHZAWCMUDV-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726302 1231663589 /nfs/dbraw/zinc/66/35/89/1231663589.db2.gz VFWVJFGOJHCNSM-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308558 1232019717 /nfs/dbraw/zinc/01/97/17/1232019717.db2.gz WMBLQNZIBDTIMS-ICSRJNTNSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCC(=C)C)[C@H]3C2)CC1 ZINC001042369461 1232050707 /nfs/dbraw/zinc/05/07/07/1232050707.db2.gz YJTAEXLPRJJXMK-ICSRJNTNSA-N 2 0 343.515 2.221 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001045187148 1233566865 /nfs/dbraw/zinc/56/68/65/1233566865.db2.gz DZNIJOCEVLYVQQ-WMLDXEAASA-N 2 0 348.516 2.287 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943948 1234203700 /nfs/dbraw/zinc/20/37/00/1234203700.db2.gz RZHJDRYVZATIDF-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950789 1234216557 /nfs/dbraw/zinc/21/65/57/1234216557.db2.gz LUSOQRVPKPUGGV-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317947 1234663124 /nfs/dbraw/zinc/66/31/24/1234663124.db2.gz JITSMIYMQUCQPO-PXNSSMCTSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950903 1235346975 /nfs/dbraw/zinc/34/69/75/1235346975.db2.gz MSMKZSCKZXHBQC-HNNXBMFYSA-N 2 0 341.446 2.264 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001000208587 1240062041 /nfs/dbraw/zinc/06/20/41/1240062041.db2.gz MKPZMQQXDFNARY-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477882 1241073965 /nfs/dbraw/zinc/07/39/65/1241073965.db2.gz JUJDVRSYGYVPMW-MSOLQXFVSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049720939 1241991524 /nfs/dbraw/zinc/99/15/24/1241991524.db2.gz UZOKHZRZTRXHJN-MBOZVWFJSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCC)CC1 ZINC001049909733 1242657281 /nfs/dbraw/zinc/65/72/81/1242657281.db2.gz CBUVCYCDGOXLJQ-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909810 1242658668 /nfs/dbraw/zinc/65/86/68/1242658668.db2.gz CRHMILJRYRVYNN-PMACEKPBSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@@H](F)CC)CC1 ZINC001049909738 1242659250 /nfs/dbraw/zinc/65/92/50/1242659250.db2.gz CDLJDCKLLAZETG-IPMKNSEASA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928052 1242749567 /nfs/dbraw/zinc/74/95/67/1242749567.db2.gz ZZQLDHGRRPKEFP-QZTJIDSGSA-N 2 0 343.471 2.434 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)CC1 ZINC001050208514 1243124386 /nfs/dbraw/zinc/12/43/86/1243124386.db2.gz MSWPWBUTXGHFGF-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097516213 1244290715 /nfs/dbraw/zinc/29/07/15/1244290715.db2.gz RLUFZISEWGCRSX-NXHRZFHOSA-N 2 0 337.427 2.179 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299465 1245499552 /nfs/dbraw/zinc/49/95/52/1245499552.db2.gz LOKHPTZQSUTWMF-OXJNMPFZSA-N 2 0 341.499 2.435 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001052937223 1245513703 /nfs/dbraw/zinc/51/37/03/1245513703.db2.gz IQBHCOCNVHUENL-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257224 1245582374 /nfs/dbraw/zinc/58/23/74/1245582374.db2.gz LBWMODYKAKBJDI-RYRKJORJSA-N 2 0 325.472 2.023 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001101545717 1245949027 /nfs/dbraw/zinc/94/90/27/1245949027.db2.gz MHTMXFIRMCRXCG-QGZVFWFLSA-N 2 0 339.499 2.154 20 30 EEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142516 1247510067 /nfs/dbraw/zinc/51/00/67/1247510067.db2.gz FBHBHXKDYKYJNA-ICSRJNTNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054196574 1247684405 /nfs/dbraw/zinc/68/44/05/1247684405.db2.gz JMOXXSUFSDMNTO-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072910266 1255482503 /nfs/dbraw/zinc/48/25/03/1255482503.db2.gz YDPLGZSYRBVMQN-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099530017 1258193114 /nfs/dbraw/zinc/19/31/14/1258193114.db2.gz ZCTVICCXCXQYNY-RDGPPVDQSA-N 2 0 345.531 2.156 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC/C=C\CC)C2)CC1 ZINC001101025175 1259577329 /nfs/dbraw/zinc/57/73/29/1259577329.db2.gz YTYCDYALGMDLIM-WAYWQWQTSA-N 2 0 331.504 2.172 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185751630 1278785757 /nfs/dbraw/zinc/78/57/57/1278785757.db2.gz PKRFSNCPJNSXNU-ZWKOTPCHSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186598076 1279169842 /nfs/dbraw/zinc/16/98/42/1279169842.db2.gz OFPRBOWCZWIVSH-SFHVURJKSA-N 2 0 333.520 2.302 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188673264 1279982703 /nfs/dbraw/zinc/98/27/03/1279982703.db2.gz HHPGWYDCWPJPHF-IPMKNSEASA-N 2 0 331.504 2.360 20 30 EEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050685 1281208693 /nfs/dbraw/zinc/20/86/93/1281208693.db2.gz LBEUIPCDVHDOQY-GOSISDBHSA-N 2 0 330.476 2.407 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198959402 1285443210 /nfs/dbraw/zinc/44/32/10/1285443210.db2.gz AQBFMHLITOGRGL-FUHWJXTLSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110615089 1291585313 /nfs/dbraw/zinc/58/53/13/1291585313.db2.gz FPGVLXJGHCAMKZ-VQHPVUNQSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001211234143 1295771542 /nfs/dbraw/zinc/77/15/42/1295771542.db2.gz VJARZIAFPIDTTC-ZMBJWTFHSA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734796 1296073142 /nfs/dbraw/zinc/07/31/42/1296073142.db2.gz QDJIXLBYNXCABA-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072812024 1296171874 /nfs/dbraw/zinc/17/18/74/1296171874.db2.gz PTYJZXIKYGTOOU-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216843133 1297311539 /nfs/dbraw/zinc/31/15/39/1297311539.db2.gz XFPWFJTZCFBTQU-VQIMIIECSA-N 2 0 345.487 2.001 20 30 EEEDRP C[NH2+]Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)cc1 ZINC001218553812 1297711322 /nfs/dbraw/zinc/71/13/22/1297711322.db2.gz RUAUEONUTAOYNX-UHFFFAOYSA-N 2 0 326.425 2.237 20 30 EEEDRP C[C@H]1CC[NH2+][C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001220643783 1298487593 /nfs/dbraw/zinc/48/75/93/1298487593.db2.gz SRGLXDHFNREAJI-FUHWJXTLSA-N 2 0 340.471 2.049 20 30 EEEDRP C#CC[C@]1(C(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC001221037824 1298632012 /nfs/dbraw/zinc/63/20/12/1298632012.db2.gz WCXSZHPHJQSGRC-UYAOXDASSA-N 2 0 343.446 2.128 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1 ZINC001099555688 1299217329 /nfs/dbraw/zinc/21/73/29/1299217329.db2.gz BROCSMXZJQVDOR-YRPNKDGESA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292648 1300754633 /nfs/dbraw/zinc/75/46/33/1300754633.db2.gz XBYBMQMTQRURLJ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001225578483 1301072265 /nfs/dbraw/zinc/07/22/65/1301072265.db2.gz TZUJPAIOCYGXLY-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147982 1302318600 /nfs/dbraw/zinc/31/86/00/1302318600.db2.gz IZSRWUPOHAHABQ-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228604310 1302334709 /nfs/dbraw/zinc/33/47/09/1302334709.db2.gz ZZSNPTPSLFCEMD-MDZRGWNJSA-N 2 0 337.483 2.239 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768779 1305752955 /nfs/dbraw/zinc/75/29/55/1305752955.db2.gz GSBPBAGHUFAWAQ-ROUUACIJSA-N 2 0 331.504 2.435 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231402 1310245702 /nfs/dbraw/zinc/24/57/02/1310245702.db2.gz JWIRXKWEBAWTHI-XJJIXNBRSA-N 2 0 349.519 2.079 20 30 EEEDRP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001122543194 1310327198 /nfs/dbraw/zinc/32/71/98/1310327198.db2.gz CIODGHUXKPRBET-IRXDYDNUSA-N 2 0 346.523 2.194 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)s1 ZINC001160867060 1320296218 /nfs/dbraw/zinc/29/62/18/1320296218.db2.gz DXXZQTZKLSKLSY-WMLDXEAASA-N 2 0 346.500 2.233 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070809 1316145707 /nfs/dbraw/zinc/14/57/07/1316145707.db2.gz LIFBIFVEKRWQQU-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150300006 1316230590 /nfs/dbraw/zinc/23/05/90/1316230590.db2.gz XAEIHSZJVIJMCH-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC001152334899 1316658123 /nfs/dbraw/zinc/65/81/23/1316658123.db2.gz VBEUFEJMSDTKPI-OAHLLOKOSA-N 2 0 347.890 2.452 20 30 EEEDRP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001252463445 1317606608 /nfs/dbraw/zinc/60/66/08/1317606608.db2.gz OOSMHHGUBQOMDB-SFHVURJKSA-N 2 0 334.460 2.131 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC#Cc1ccccc1 ZINC001158445660 1319243523 /nfs/dbraw/zinc/24/35/23/1319243523.db2.gz NAIWESYTYRXTNO-HXUWFJFHSA-N 2 0 341.499 2.303 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001160273709 1320119809 /nfs/dbraw/zinc/11/98/09/1320119809.db2.gz NRFZDZDJDVCWFK-CQSZACIVSA-N 2 0 334.489 2.090 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352814 1320141835 /nfs/dbraw/zinc/14/18/35/1320141835.db2.gz NECDLSXOOIQJSU-IBGZPJMESA-N 2 0 331.504 2.126 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953292 1320692852 /nfs/dbraw/zinc/69/28/52/1320692852.db2.gz SBCSSGSJSLGNJE-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001166424392 1321716967 /nfs/dbraw/zinc/71/69/67/1321716967.db2.gz GAUVJIJFKCNUSG-LJQANCHMSA-N 2 0 347.478 2.394 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001166626676 1321752932 /nfs/dbraw/zinc/75/29/32/1321752932.db2.gz IZCVVSKMZWRVHX-MRXNPFEDSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001263151237 1322438487 /nfs/dbraw/zinc/43/84/87/1322438487.db2.gz WNHWCCRFMYYDQF-IBGZPJMESA-N 2 0 340.471 2.322 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206953617 1323739394 /nfs/dbraw/zinc/73/93/94/1323739394.db2.gz VUGVMCOVOLAARX-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP Cn1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1C#N ZINC001207103183 1323849271 /nfs/dbraw/zinc/84/92/71/1323849271.db2.gz NOLMMNZZGXIIHB-UHFFFAOYSA-N 2 0 330.476 2.221 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049874 1324289388 /nfs/dbraw/zinc/28/93/88/1324289388.db2.gz RRVUELFWNIFHJL-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001208453640 1324506275 /nfs/dbraw/zinc/50/62/75/1324506275.db2.gz MBJDJMNQGCGSFV-CQSZACIVSA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001335385390 1336369194 /nfs/dbraw/zinc/36/91/94/1336369194.db2.gz ZJSWJVHZLSFMCW-HKUYNNGSSA-N 2 0 345.487 2.346 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001100426595 1338361654 /nfs/dbraw/zinc/36/16/54/1338361654.db2.gz PVSGHHNVZZOWQK-MHJFOBGBSA-N 2 0 341.499 2.109 20 30 EEEDRP CC(C)(C[NH3+])CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001575311164 1343772792 /nfs/dbraw/zinc/77/27/92/1343772792.db2.gz RZEZSMMEXOYWFT-UHFFFAOYSA-N 2 0 328.460 2.014 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520950 1352861626 /nfs/dbraw/zinc/86/16/26/1352861626.db2.gz QMIIKDZPTMTGQH-IAGOWNOFSA-N 2 0 331.460 2.008 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001373227486 1376498874 /nfs/dbraw/zinc/49/88/74/1376498874.db2.gz OTLUIJCWPGACKA-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1)[NH+](C)C ZINC001374162051 1376601061 /nfs/dbraw/zinc/60/10/61/1376601061.db2.gz DZRBOESWUWZGFP-MRXNPFEDSA-N 2 0 348.516 2.479 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001375111545 1377380179 /nfs/dbraw/zinc/38/01/79/1377380179.db2.gz HEKYCUREANLLIV-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001381222117 1381565634 /nfs/dbraw/zinc/56/56/34/1381565634.db2.gz SQUZLWIATFCZOP-ZDUSSCGKSA-N 2 0 346.313 2.111 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752798215 1406417530 /nfs/dbraw/zinc/41/75/30/1406417530.db2.gz WEMKUWOETXPTRQ-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001753967038 1406783234 /nfs/dbraw/zinc/78/32/34/1406783234.db2.gz MRUCJJSXNVGADN-YZGWKJHDSA-N 2 0 341.499 2.253 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001400178105 1396012819 /nfs/dbraw/zinc/01/28/19/1396012819.db2.gz ABKCYBZFJSJSON-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409610 1397984782 /nfs/dbraw/zinc/98/47/82/1397984782.db2.gz AKULOTRAPWWIQX-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001402566437 1398062350 /nfs/dbraw/zinc/06/23/50/1398062350.db2.gz PWPNTFHJXCCRGU-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001755116337 1407127156 /nfs/dbraw/zinc/12/71/56/1407127156.db2.gz LVJMYFOQDRNIQE-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001755185054 1407190273 /nfs/dbraw/zinc/19/02/73/1407190273.db2.gz UDPOMYORJKXXBE-ROUUACIJSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001755204827 1407216810 /nfs/dbraw/zinc/21/68/10/1407216810.db2.gz NOVAZYWDXIGUKE-ROUUACIJSA-N 2 0 333.520 2.465 20 30 EEEDRP COc1cc(C#N)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579139010 1403778218 /nfs/dbraw/zinc/77/82/18/1403778218.db2.gz GTTUVTLKHLCHNK-PKOBYXMFSA-N 2 0 329.444 2.285 20 30 EEEDRP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001755390178 1407398736 /nfs/dbraw/zinc/39/87/36/1407398736.db2.gz MLSSSADKKUBGDA-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755498874 1407543175 /nfs/dbraw/zinc/54/31/75/1407543175.db2.gz PILNNYYLVJQSQY-JJRVBVJISA-N 2 0 348.516 2.334 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001755706983 1407759013 /nfs/dbraw/zinc/75/90/13/1407759013.db2.gz CNOFMWBBCOUSTL-HSALFYBXSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491060 758071938 /nfs/dbraw/zinc/07/19/38/758071938.db2.gz CTDGHAIKXQSGDB-ZVDOUQERSA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290829 758127141 /nfs/dbraw/zinc/12/71/41/758127141.db2.gz FLBRLBIYWDNLPT-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167694646 761771215 /nfs/dbraw/zinc/77/12/15/761771215.db2.gz PFSMARFJJNWEMU-UHFFFAOYSA-N 2 0 331.504 2.008 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC=C)CC(C)(C)C1 ZINC001089408443 768829860 /nfs/dbraw/zinc/82/98/60/768829860.db2.gz AAZWYDSSKGLWDE-ROUUACIJSA-N 2 0 331.504 2.267 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994265 782737021 /nfs/dbraw/zinc/73/70/21/782737021.db2.gz ZESNKJCNKFAQFP-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087994266 782737151 /nfs/dbraw/zinc/73/71/51/782737151.db2.gz ZESNKJCNKFAQFP-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106454 782920790 /nfs/dbraw/zinc/92/07/90/782920790.db2.gz BBDNMWHREDCXBC-UWVAXJGDSA-N 2 0 349.494 2.003 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779832 783199948 /nfs/dbraw/zinc/19/99/48/783199948.db2.gz UEESGTLOFVWFPS-ZACQAIPSSA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169321 776663089 /nfs/dbraw/zinc/66/30/89/776663089.db2.gz RHEJSWSCXUVIGW-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001089828280 777216105 /nfs/dbraw/zinc/21/61/05/777216105.db2.gz RXKBCCUDPNNLJT-OBZTUIKSSA-N 2 0 348.450 2.058 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981769067 778184063 /nfs/dbraw/zinc/18/40/63/778184063.db2.gz XHEORPMTMVNTHZ-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000982021376 778902835 /nfs/dbraw/zinc/90/28/35/778902835.db2.gz FNPBHDJPRQPDMS-HZPDHXFCSA-N 2 0 328.460 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCC(=C)C)C3)CC1 ZINC000982162683 779181960 /nfs/dbraw/zinc/18/19/60/779181960.db2.gz YZDQTMXQWBXISC-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236890297 779944691 /nfs/dbraw/zinc/94/46/91/779944691.db2.gz OFNPNUXYBNHKGN-DLBZAZTESA-N 2 0 330.476 2.093 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001088337905 783557380 /nfs/dbraw/zinc/55/73/80/783557380.db2.gz QEWPXDZPSOWBNH-IRXDYDNUSA-N 2 0 330.476 2.382 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481534 783837751 /nfs/dbraw/zinc/83/77/51/783837751.db2.gz VHZXRYAGLIFTRM-CVEARBPZSA-N 2 0 327.513 2.040 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574985 783886785 /nfs/dbraw/zinc/88/67/85/783886785.db2.gz NLYBNOCOKZPHMV-OALUTQOASA-N 2 0 333.520 2.443 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857325 784638270 /nfs/dbraw/zinc/63/82/70/784638270.db2.gz GTRXGEZLBDCXDK-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OC ZINC000817917803 785068873 /nfs/dbraw/zinc/06/88/73/785068873.db2.gz HXPOIHVDBKXUID-MXASKKJJSA-N 2 0 347.459 2.218 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035772592 785152746 /nfs/dbraw/zinc/15/27/46/785152746.db2.gz GPQJGMDBSUHGTJ-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035856336 785296382 /nfs/dbraw/zinc/29/63/82/785296382.db2.gz MRRBTAQNONZNHP-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000818606069 785320973 /nfs/dbraw/zinc/32/09/73/785320973.db2.gz BYBRUTSCETTXCT-LJQANCHMSA-N 2 0 327.472 2.112 20 30 EEEDRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000819011507 785362925 /nfs/dbraw/zinc/36/29/25/785362925.db2.gz RZSJBLMRYZFRNQ-HXUWFJFHSA-N 2 0 339.439 2.322 20 30 EEEDRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1)[NH+](C)C ZINC000995952894 785869001 /nfs/dbraw/zinc/86/90/01/785869001.db2.gz SQEPKIVMLITYJZ-CVEARBPZSA-N 2 0 348.516 2.287 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609267 787895730 /nfs/dbraw/zinc/89/57/30/787895730.db2.gz LOYXEYJTLWOKMK-JFIYKMOQSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643233 787988342 /nfs/dbraw/zinc/98/83/42/787988342.db2.gz BVTQYMKHANXLMJ-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000996980424 788325611 /nfs/dbraw/zinc/32/56/11/788325611.db2.gz XZLKRDYTPOSLNY-LJQANCHMSA-N 2 0 342.487 2.225 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923388098 789484487 /nfs/dbraw/zinc/48/44/87/789484487.db2.gz NNXWHIGGLRCWNH-RBUKOAKNSA-N 2 0 343.471 2.010 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF)CC1 ZINC001146613926 791377084 /nfs/dbraw/zinc/37/70/84/791377084.db2.gz VLWKKPDSULBBRC-SJORKVTESA-N 2 0 339.499 2.344 20 30 EEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009344 791825818 /nfs/dbraw/zinc/82/58/18/791825818.db2.gz WNIAFQVDLVHSRI-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCC)CC2)CC1 ZINC000998194691 792197722 /nfs/dbraw/zinc/19/77/22/792197722.db2.gz DTXMWTICNCSWOT-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981787 792351936 /nfs/dbraw/zinc/35/19/36/792351936.db2.gz GHAKKDQDXFMWKI-PKOBYXMFSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998270680 792410947 /nfs/dbraw/zinc/41/09/47/792410947.db2.gz VGNBLPQGUDFPOO-LSDHHAIUSA-N 2 0 347.425 2.416 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999033849 793691905 /nfs/dbraw/zinc/69/19/05/793691905.db2.gz QFBRVVMECKEVLA-UYSNPLJNSA-N 2 0 327.900 2.438 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303122 793779579 /nfs/dbraw/zinc/77/95/79/793779579.db2.gz SXGSIPBPYBBJTG-HBFSDRIKSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C2 ZINC001109968694 806295904 /nfs/dbraw/zinc/29/59/04/806295904.db2.gz ICPIBDGZZLGGRB-FYQPLNBISA-N 2 0 339.483 2.424 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001112540197 794074511 /nfs/dbraw/zinc/07/45/11/794074511.db2.gz KMPPPAPKSLXWIA-HBFSDRIKSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941977 794271977 /nfs/dbraw/zinc/27/19/77/794271977.db2.gz NMPDZKGPHSZGQN-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC000999347861 794339302 /nfs/dbraw/zinc/33/93/02/794339302.db2.gz MGNCAKCBJNOCNZ-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759378 794833963 /nfs/dbraw/zinc/83/39/63/794833963.db2.gz KZJSOHCMQDPUPH-JKSUJKDBSA-N 2 0 337.895 2.290 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093360733 795086545 /nfs/dbraw/zinc/08/65/45/795086545.db2.gz FGPAKTWWYYMBLY-OALUTQOASA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107992979 795246199 /nfs/dbraw/zinc/24/61/99/795246199.db2.gz FTIVWCLKDPIJAB-HKUYNNGSSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902955 796441290 /nfs/dbraw/zinc/44/12/90/796441290.db2.gz SOVLDZGIEANUED-MOPGFXCFSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171772800 796728401 /nfs/dbraw/zinc/72/84/01/796728401.db2.gz VWWWFZKNDVHCQC-MRXNPFEDSA-N 2 0 339.443 2.169 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001002036112 797498205 /nfs/dbraw/zinc/49/82/05/797498205.db2.gz DWDAFUSNXQCZRG-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084544691 798267210 /nfs/dbraw/zinc/26/72/10/798267210.db2.gz FIIKWNYDOJLKSU-IEBWSBKVSA-N 2 0 327.472 2.123 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101320 798675258 /nfs/dbraw/zinc/67/52/58/798675258.db2.gz DRVFHROYZDISNF-HSALFYBXSA-N 2 0 345.531 2.443 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176986391 798675546 /nfs/dbraw/zinc/67/55/46/798675546.db2.gz MQIPAGXLHLXNGO-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001177330881 798867022 /nfs/dbraw/zinc/86/70/22/798867022.db2.gz SUHSRPCXYLBRQE-SFHVURJKSA-N 2 0 339.499 2.298 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001003283973 799481350 /nfs/dbraw/zinc/48/13/50/799481350.db2.gz KHSQEJPDQIPXRB-UHFFFAOYSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179975848 800194647 /nfs/dbraw/zinc/19/46/47/800194647.db2.gz DTGPPWZLJYQAPM-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181729104 800882310 /nfs/dbraw/zinc/88/23/10/800882310.db2.gz VTVGUWGSBJBDAU-IMFGXOCKSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001183045435 801438053 /nfs/dbraw/zinc/43/80/53/801438053.db2.gz ZVERJMAMYSYZMA-UHFFFAOYSA-N 2 0 325.456 2.306 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108216242 801486960 /nfs/dbraw/zinc/48/69/60/801486960.db2.gz VDSXDYLAWNCIOV-LJQANCHMSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004432704 802041775 /nfs/dbraw/zinc/04/17/75/802041775.db2.gz DRTUZXKUQCKZKP-MOPGFXCFSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004458408 802112622 /nfs/dbraw/zinc/11/26/22/802112622.db2.gz LYSQFIACWQFDDZ-LJQANCHMSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184702467 802137392 /nfs/dbraw/zinc/13/73/92/802137392.db2.gz YSOFBRXVHRPNDN-DOTOQJQBSA-N 2 0 338.455 2.354 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631512 802424077 /nfs/dbraw/zinc/42/40/77/802424077.db2.gz LOOZXDJFFPLKBN-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185293584 802447077 /nfs/dbraw/zinc/44/70/77/802447077.db2.gz HXSNRVNMNXOTGQ-LPHOPBHVSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC=C)CC2)CC1 ZINC001004618929 802496617 /nfs/dbraw/zinc/49/66/17/802496617.db2.gz IDQPOANDRAZSDE-HXUWFJFHSA-N 2 0 343.515 2.221 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086399739 802896910 /nfs/dbraw/zinc/89/69/10/802896910.db2.gz KPGCEONHOMRXFX-FPCVCCKLSA-N 2 0 325.884 2.240 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789625 804508979 /nfs/dbraw/zinc/50/89/79/804508979.db2.gz MZNDRYYRKWWJSY-WDSOQIARSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001086609618 810043234 /nfs/dbraw/zinc/04/32/34/810043234.db2.gz OTLFFSGHOUQVTD-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129430333 810850463 /nfs/dbraw/zinc/85/04/63/810850463.db2.gz SRLAHAIZQCILOO-LJQANCHMSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001131667164 813097680 /nfs/dbraw/zinc/09/76/80/813097680.db2.gz YPUOQDQISKRWGD-FXAWDEMLSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001440120474 1093182054 /nfs/dbraw/zinc/18/20/54/1093182054.db2.gz UXFFFUAXCGJEDM-CABCVRRESA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001442168786 1096431079 /nfs/dbraw/zinc/43/10/79/1096431079.db2.gz JSWONIZQDRSCJQ-STQMWFEESA-N 2 0 348.329 2.356 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001442471110 1096801038 /nfs/dbraw/zinc/80/10/38/1096801038.db2.gz WKJSANVJNTXJMN-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001496449597 1101040765 /nfs/dbraw/zinc/04/07/65/1101040765.db2.gz OZKMLPIILRPBEI-CABCVRRESA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001496513052 1101111366 /nfs/dbraw/zinc/11/13/66/1101111366.db2.gz VMAZZICLOYTXSK-MRXNPFEDSA-N 2 0 327.900 2.251 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001479300819 1110678144 /nfs/dbraw/zinc/67/81/44/1110678144.db2.gz TXPYSQFYQXCCOK-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cccc(C#N)c2)CC[NH2+]CC1 ZINC000423098359 240363739 /nfs/dbraw/zinc/36/37/39/240363739.db2.gz KPGFUABDQFFBAB-OAHLLOKOSA-N 2 0 329.444 2.012 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000491768481 533163407 /nfs/dbraw/zinc/16/34/07/533163407.db2.gz LBQSJVPHVOEQKD-UHFFFAOYSA-N 2 0 341.499 2.408 20 30 EEEDRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181700277 143850696 /nfs/dbraw/zinc/85/06/96/143850696.db2.gz HOHIYAMPUOBMOU-UHFFFAOYSA-N 2 0 326.488 2.454 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000123254507 222243896 /nfs/dbraw/zinc/24/38/96/222243896.db2.gz YYGVNSBLWALISK-LJQANCHMSA-N 2 0 345.487 2.352 20 30 EEEDRP C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000358301072 465046155 /nfs/dbraw/zinc/04/61/55/465046155.db2.gz OQNDUVJPHYFZFR-CABCVRRESA-N 2 0 339.505 2.142 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000129628878 462716940 /nfs/dbraw/zinc/71/69/40/462716940.db2.gz QTHBSPMVGYXUDV-KRWDZBQOSA-N 2 0 332.492 2.120 20 30 EEEDRP N#Cc1cnc2ccccc2c1N1CC[NH+](CCn2ccnc2)CC1 ZINC000130923992 462784273 /nfs/dbraw/zinc/78/42/73/462784273.db2.gz GZQZCJQZBCXIBT-UHFFFAOYSA-N 2 0 332.411 2.125 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000119955091 462945736 /nfs/dbraw/zinc/94/57/36/462945736.db2.gz XBMWEIWSPOUHSJ-KRWDZBQOSA-N 2 0 336.524 2.304 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000068064306 463086460 /nfs/dbraw/zinc/08/64/60/463086460.db2.gz MVOPAUCEJVMJIH-UHFFFAOYSA-N 2 0 339.483 2.244 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000068313373 463120207 /nfs/dbraw/zinc/12/02/07/463120207.db2.gz ZAIVPPMRFFHQPX-UHFFFAOYSA-N 2 0 345.462 2.061 20 30 EEEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523667 463407769 /nfs/dbraw/zinc/40/77/69/463407769.db2.gz AVIYLWOSDIPLLE-INIZCTEOSA-N 2 0 334.508 2.381 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283305203 463838489 /nfs/dbraw/zinc/83/84/89/463838489.db2.gz GSUWQVAOAKSUDI-UHFFFAOYSA-N 2 0 347.422 2.410 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000264133026 464286945 /nfs/dbraw/zinc/28/69/45/464286945.db2.gz UMFNYSDOIKATHT-CVEARBPZSA-N 2 0 332.492 2.358 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1N1CCCC1 ZINC000285038795 464435860 /nfs/dbraw/zinc/43/58/60/464435860.db2.gz KHKSQVOWROLYNL-OAHLLOKOSA-N 2 0 347.482 2.315 20 30 EEEDRP N#CCSCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950600 464762913 /nfs/dbraw/zinc/76/29/13/464762913.db2.gz FRQVCQLOQCBLJF-UHFFFAOYSA-N 2 0 325.522 2.458 20 30 EEEDRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424156731 466991979 /nfs/dbraw/zinc/99/19/79/466991979.db2.gz ORWDHFYAXAANHL-IBGZPJMESA-N 2 0 342.487 2.378 20 30 EEEDRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156788 466992068 /nfs/dbraw/zinc/99/20/68/466992068.db2.gz QCAFSFYDHGFWSP-MAUKXSAKSA-N 2 0 344.459 2.367 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488801919 468106040 /nfs/dbraw/zinc/10/60/40/468106040.db2.gz QIHFBELFBBBEFR-XYJFISCASA-N 2 0 334.508 2.009 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000171738396 526425560 /nfs/dbraw/zinc/42/55/60/526425560.db2.gz LZEFQUPQEYVNDC-UHFFFAOYSA-N 2 0 348.491 2.312 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000108711735 526925646 /nfs/dbraw/zinc/92/56/46/526925646.db2.gz OTVDKCBMOSTSOB-UHFFFAOYSA-N 2 0 341.499 2.490 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000970131759 675546820 /nfs/dbraw/zinc/54/68/20/675546820.db2.gz RRAZFEUVEFQTBS-HNNXBMFYSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891521445 676684389 /nfs/dbraw/zinc/68/43/89/676684389.db2.gz XVDXLRSPWHKQCI-LJQANCHMSA-N 2 0 336.524 2.433 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000891921002 677703329 /nfs/dbraw/zinc/70/33/29/677703329.db2.gz HEPRUKYEWGQPNG-HKUYNNGSSA-N 2 0 348.535 2.271 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331165 678553510 /nfs/dbraw/zinc/55/35/10/678553510.db2.gz INPZMKWLNVBPAG-VQIMIIECSA-N 2 0 340.471 2.075 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@@H](C[NH+]3CCCC3)C2)C12CCC2 ZINC000262329064 679136302 /nfs/dbraw/zinc/13/63/02/679136302.db2.gz ANVSGUIQAANCTN-OKZBNKHCSA-N 2 0 348.535 2.327 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588580 679397393 /nfs/dbraw/zinc/39/73/93/679397393.db2.gz FEMSJNOYKGBWRG-IBGZPJMESA-N 2 0 341.499 2.256 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831565 681352752 /nfs/dbraw/zinc/35/27/52/681352752.db2.gz OHCSXVFULOOOFG-BGYRXZFFSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246775 682315740 /nfs/dbraw/zinc/31/57/40/682315740.db2.gz ZGYDWSWLIJZADR-QZTJIDSGSA-N 2 0 346.475 2.381 20 30 EEEDRP C=C(Cl)CN1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900652 682448788 /nfs/dbraw/zinc/44/87/88/682448788.db2.gz ICCSWGXBYROPEV-OAHLLOKOSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001029004539 682653856 /nfs/dbraw/zinc/65/38/56/682653856.db2.gz YNFJHBOBUVFKCH-GOSISDBHSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC000992704625 683283300 /nfs/dbraw/zinc/28/33/00/683283300.db2.gz CHTJSYCYXONFOL-BHYGNILZSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598255 685093869 /nfs/dbraw/zinc/09/38/69/685093869.db2.gz BEAFTZZGBREBBN-MJGOQNOKSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978844193 693942665 /nfs/dbraw/zinc/94/26/65/693942665.db2.gz GQVWJGSAVPYOHU-NNZMDNLPSA-N 2 0 347.890 2.408 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262370458 685680808 /nfs/dbraw/zinc/68/08/08/685680808.db2.gz INFUJAHOIWBJAI-BBWFWOEESA-N 2 0 334.508 2.005 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062889 686019869 /nfs/dbraw/zinc/01/98/69/686019869.db2.gz DJFXRUVGMNOOBJ-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1CC[NH+](C(C)C)CC1 ZINC000262452755 686121099 /nfs/dbraw/zinc/12/10/99/686121099.db2.gz RVCDKBFWOGWYPB-MJGOQNOKSA-N 2 0 338.540 2.356 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1SCCc2ccccc21 ZINC000262505043 686512968 /nfs/dbraw/zinc/51/29/68/686512968.db2.gz BCWZGNWOEJOACP-NVXWUHKLSA-N 2 0 332.517 2.406 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1SCCc2ccccc21 ZINC000262505044 686513069 /nfs/dbraw/zinc/51/30/69/686513069.db2.gz BCWZGNWOEJOACP-RDJZCZTQSA-N 2 0 332.517 2.406 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411277 687977468 /nfs/dbraw/zinc/97/74/68/687977468.db2.gz OCSVKMGSLKBEEO-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001027421058 688059182 /nfs/dbraw/zinc/05/91/82/688059182.db2.gz ILPMJLNXQWYKDO-KRWDZBQOSA-N 2 0 330.476 2.261 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)[C@@H]2C)CC1 ZINC000987575406 689836635 /nfs/dbraw/zinc/83/66/35/689836635.db2.gz JSOLRDZHANHBEB-FXAWDEMLSA-N 2 0 339.483 2.111 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430203 1186866356 /nfs/dbraw/zinc/86/63/56/1186866356.db2.gz JREFZSKNQVJXCP-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)CC1 ZINC001088430292 1186867048 /nfs/dbraw/zinc/86/70/48/1186867048.db2.gz LRPFDPCJASMVMZ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001101547846 1187222289 /nfs/dbraw/zinc/22/22/89/1187222289.db2.gz RMBOOJKSKOOXSW-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518508 1188135749 /nfs/dbraw/zinc/13/57/49/1188135749.db2.gz ZWEWMLNVBHCQMV-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1 ZINC001105544913 1188166813 /nfs/dbraw/zinc/16/68/13/1188166813.db2.gz YSBZGJGWEKSTPN-KZNAEPCWSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563519 1188179863 /nfs/dbraw/zinc/17/98/63/1188179863.db2.gz ONLNFQGEUGGWPC-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC[C@H](C)F)CC2)CC1 ZINC001752855107 1188464355 /nfs/dbraw/zinc/46/43/55/1188464355.db2.gz IZCLVEVDQBTPFU-ZLPCBKJTSA-N 2 0 337.483 2.097 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219737 1193757464 /nfs/dbraw/zinc/75/74/64/1193757464.db2.gz VHTMJOVZLNQBNQ-CABCVRRESA-N 2 0 348.516 2.336 20 30 EEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005397853 1195390982 /nfs/dbraw/zinc/39/09/82/1195390982.db2.gz SZFXABRLOQXNPP-KRWDZBQOSA-N 2 0 331.504 2.197 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001128773505 1195466165 /nfs/dbraw/zinc/46/61/65/1195466165.db2.gz AHNNFCMEZQAFCL-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210986 1195949045 /nfs/dbraw/zinc/94/90/45/1195949045.db2.gz JVKHJQWVIWPJHJ-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248903 1195982859 /nfs/dbraw/zinc/98/28/59/1195982859.db2.gz HEWVHHVJRSHNAM-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001168754789 1196191900 /nfs/dbraw/zinc/19/19/00/1196191900.db2.gz BPRCCOOBZBICFP-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545179 1196372793 /nfs/dbraw/zinc/37/27/93/1196372793.db2.gz ZCFLWZHONSRDOM-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648119 1196402495 /nfs/dbraw/zinc/40/24/95/1196402495.db2.gz BILHZHVRPJRTBE-GOSISDBHSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086695148 1200074759 /nfs/dbraw/zinc/07/47/59/1200074759.db2.gz DFEQKPHOOKIQGZ-XHSDSOJGSA-N 2 0 327.900 2.486 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133011827 1200333279 /nfs/dbraw/zinc/33/32/79/1200333279.db2.gz NAURCVHAMSCSLS-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CCCc3cccc(C#N)c3)[C@@H]2C1 ZINC001274890879 1205201410 /nfs/dbraw/zinc/20/14/10/1205201410.db2.gz NBRDIPIXPZRKOX-VQTJNVASSA-N 2 0 326.488 2.059 20 30 EEEDRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)c3)(C1)CCC2 ZINC001275290310 1205299372 /nfs/dbraw/zinc/29/93/72/1205299372.db2.gz FVTHBAPHCVLPJX-UXHICEINSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723056 1208686905 /nfs/dbraw/zinc/68/69/05/1208686905.db2.gz PLJQJIYMUIBSGM-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCO2 ZINC000949248162 1209592886 /nfs/dbraw/zinc/59/28/86/1209592886.db2.gz NVWQLLYAAVEEBM-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949388480 1209662115 /nfs/dbraw/zinc/66/21/15/1209662115.db2.gz BCNVBSYPZDHQSF-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416127 1211977241 /nfs/dbraw/zinc/97/72/41/1211977241.db2.gz IPEQPSBPCWTCID-QRVBRYPASA-N 2 0 349.519 2.177 20 30 EEEDRP CCNC(NCCC[NH+]1CCN(c2cccc(C)c2)CC1)=[NH+]CC ZINC000303389482 1215834473 /nfs/dbraw/zinc/83/44/73/1215834473.db2.gz XXNMUSOFYNPAGI-UHFFFAOYSA-N 2 0 331.508 2.082 20 30 EEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304516219 1216058095 /nfs/dbraw/zinc/05/80/95/1216058095.db2.gz VRVIUFUAZMYAQE-CYBMUJFWSA-N 2 0 344.381 2.331 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000304752000 1216102524 /nfs/dbraw/zinc/10/25/24/1216102524.db2.gz JUKOHUVOVOMFQU-RTBURBONSA-N 3 0 343.519 2.040 20 30 EEEDRP CCCNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000304747411 1216102624 /nfs/dbraw/zinc/10/26/24/1216102624.db2.gz GKVAOEQHKWJBRG-UHFFFAOYSA-N 2 0 337.899 2.166 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261131 1217116042 /nfs/dbraw/zinc/11/60/42/1217116042.db2.gz MTGCRFIOFDSYBF-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962979413 1217315766 /nfs/dbraw/zinc/31/57/66/1217315766.db2.gz ZPQOAFOFXXUFCU-VQFNDLOPSA-N 2 0 331.460 2.358 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404030 1217600507 /nfs/dbraw/zinc/60/05/07/1217600507.db2.gz KUFJWGHHHYQYCR-MJGOQNOKSA-N 2 0 342.487 2.079 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423950 1220500623 /nfs/dbraw/zinc/50/06/23/1220500623.db2.gz MJKPFTJWCHWWQK-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326762 1221210896 /nfs/dbraw/zinc/21/08/96/1221210896.db2.gz IOSUZJSHZIZACM-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C)CC1 ZINC000968680617 1221486937 /nfs/dbraw/zinc/48/69/37/1221486937.db2.gz BWYSTPNSLSSOQI-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000968738152 1221527276 /nfs/dbraw/zinc/52/72/76/1221527276.db2.gz OUNBGBPZHTZVGF-XOKHGSTOSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016620173 1226693392 /nfs/dbraw/zinc/69/33/92/1226693392.db2.gz IPPRFUDQRDEXHR-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016641522 1226717567 /nfs/dbraw/zinc/71/75/67/1226717567.db2.gz BMNLPTNAQPBDOO-MRXNPFEDSA-N 2 0 345.512 2.417 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661611 1226744209 /nfs/dbraw/zinc/74/42/09/1226744209.db2.gz GXUWWICHKSVVEE-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001020174660 1229532485 /nfs/dbraw/zinc/53/24/85/1229532485.db2.gz KYHWPZILOACCQX-MGBSGCIJSA-N 2 0 346.500 2.087 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163392 1230385517 /nfs/dbraw/zinc/38/55/17/1230385517.db2.gz BQXKYRZGNPXVCR-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167606 1230390872 /nfs/dbraw/zinc/39/08/72/1230390872.db2.gz YHQQZSNVHXJPGN-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040242714 1231128111 /nfs/dbraw/zinc/12/81/11/1231128111.db2.gz ZZFNMTASECDMAG-CTNGQTDRSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356309 1231185012 /nfs/dbraw/zinc/18/50/12/1231185012.db2.gz IKHIKICWSXRNRG-FQEVSTJZSA-N 2 0 343.471 2.293 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699691 1231340326 /nfs/dbraw/zinc/34/03/26/1231340326.db2.gz DEWQQHFBNSEVIU-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)CC1 ZINC001040754320 1231358613 /nfs/dbraw/zinc/35/86/13/1231358613.db2.gz WCQRNCWAMXPNQW-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357419 1231518676 /nfs/dbraw/zinc/51/86/76/1231518676.db2.gz HHYXRFJUQQOSPE-CTNGQTDRSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726304 1231663646 /nfs/dbraw/zinc/66/36/46/1231663646.db2.gz VFWVJFGOJHCNSM-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)CC1 ZINC001041844554 1231728475 /nfs/dbraw/zinc/72/84/75/1231728475.db2.gz KWJBJMZGLIECDB-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366362 1232048673 /nfs/dbraw/zinc/04/86/73/1232048673.db2.gz VFZZJKLBYDENSE-PKOBYXMFSA-N 2 0 327.472 2.471 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001045671194 1233898267 /nfs/dbraw/zinc/89/82/67/1233898267.db2.gz FPNIVDFORGZFLK-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949163 1234213892 /nfs/dbraw/zinc/21/38/92/1234213892.db2.gz ZBHOQJSOJBUZTE-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962903 1234239754 /nfs/dbraw/zinc/23/97/54/1234239754.db2.gz RYMVTPCNBULHGQ-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047253315 1235756261 /nfs/dbraw/zinc/75/62/61/1235756261.db2.gz WAZCZYKMYMJUSU-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096311961 1237306846 /nfs/dbraw/zinc/30/68/46/1237306846.db2.gz LMVLITQWDMIFBE-QYZOEREBSA-N 2 0 331.504 2.406 20 30 EEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001000151292 1240001548 /nfs/dbraw/zinc/00/15/48/1240001548.db2.gz SPDDWPXBKYREGL-SFHVURJKSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001001485050 1242362351 /nfs/dbraw/zinc/36/23/51/1242362351.db2.gz UXGOFDCVUOEQRS-UHFFFAOYSA-N 2 0 329.444 2.117 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913389 1242677292 /nfs/dbraw/zinc/67/72/92/1242677292.db2.gz WPRXRMBYBQXWMY-OALUTQOASA-N 2 0 325.456 2.060 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050180907 1243060306 /nfs/dbraw/zinc/06/03/06/1243060306.db2.gz BBTBZZXMKRPUMN-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc([C@H](C)[NH2+]CC)cc2)CC1 ZINC001050273148 1243230391 /nfs/dbraw/zinc/23/03/91/1243230391.db2.gz OQNJBJNZCNCORT-INIZCTEOSA-N 2 0 327.472 2.319 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687188 1244127956 /nfs/dbraw/zinc/12/79/56/1244127956.db2.gz IEMGGKBTKXFLJO-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050690511 1244136076 /nfs/dbraw/zinc/13/60/76/1244136076.db2.gz QRAAFSQBGMTOAM-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933208 1245505671 /nfs/dbraw/zinc/50/56/71/1245505671.db2.gz XVLITHAEKZAJOC-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001052938380 1245514319 /nfs/dbraw/zinc/51/43/19/1245514319.db2.gz WZVLCCTWHYCIIC-OAHLLOKOSA-N 2 0 346.500 2.186 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001101550707 1245956273 /nfs/dbraw/zinc/95/62/73/1245956273.db2.gz WBBGCXSIWJNGMS-RBUKOAKNSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001101554818 1245959189 /nfs/dbraw/zinc/95/91/89/1245959189.db2.gz RWQKYNIZSBAHET-UHFFFAOYSA-N 2 0 338.455 2.436 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001101571149 1245974911 /nfs/dbraw/zinc/97/49/11/1245974911.db2.gz KSWLXNIFQKRMIT-GOSISDBHSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054134236 1247485852 /nfs/dbraw/zinc/48/58/52/1247485852.db2.gz XLEILNYWRGFDJJ-UYAOXDASSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CCC=C)C3)C2)CC1 ZINC001054245374 1247862726 /nfs/dbraw/zinc/86/27/26/1247862726.db2.gz STKNZWOEZVQLET-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895582 1254761883 /nfs/dbraw/zinc/76/18/83/1254761883.db2.gz AFYXVLOEFLEKIS-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001099257437 1258044439 /nfs/dbraw/zinc/04/44/39/1258044439.db2.gz FMVPXWDDSBDRNO-MRXNPFEDSA-N 2 0 330.476 2.247 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260190 1258046985 /nfs/dbraw/zinc/04/69/85/1258046985.db2.gz ALUYTCHZDFOQLC-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099552256 1258200159 /nfs/dbraw/zinc/20/01/59/1258200159.db2.gz KARHBJNSOCICPY-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185516855 1278684156 /nfs/dbraw/zinc/68/41/56/1278684156.db2.gz NXNCWHBIMLOPPZ-CVEARBPZSA-N 2 0 330.476 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185610119 1278716843 /nfs/dbraw/zinc/71/68/43/1278716843.db2.gz RLZQEVGKFIFKBG-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185751628 1278785103 /nfs/dbraw/zinc/78/51/03/1278785103.db2.gz PKRFSNCPJNSXNU-QZTJIDSGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001188092726 1279762117 /nfs/dbraw/zinc/76/21/17/1279762117.db2.gz XGMJDDTWETVZHD-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191296550 1281308891 /nfs/dbraw/zinc/30/88/91/1281308891.db2.gz WMXXVSPOBBJLHB-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192960059 1282247006 /nfs/dbraw/zinc/24/70/06/1282247006.db2.gz MPSTWVCTIKXKPO-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@H](C)CCC=C)CC2)CC1 ZINC001203870106 1284466136 /nfs/dbraw/zinc/46/61/36/1284466136.db2.gz XJZKNAACXJHKTA-QGZVFWFLSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743088 1285315016 /nfs/dbraw/zinc/31/50/16/1285315016.db2.gz UOGODQVMFVTXRX-NUJGCVRESA-N 2 0 345.487 2.358 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000859291965 1294379452 /nfs/dbraw/zinc/37/94/52/1294379452.db2.gz PRNDEZIYVDYANB-SFHVURJKSA-N 2 0 343.471 2.106 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973989 1295057458 /nfs/dbraw/zinc/05/74/58/1295057458.db2.gz JTMZOOCJTOAKGP-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001211270289 1295792389 /nfs/dbraw/zinc/79/23/89/1295792389.db2.gz ZNIGVFRNFONLSH-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)c1 ZINC001218994483 1297898449 /nfs/dbraw/zinc/89/84/49/1297898449.db2.gz HKMALERWURNZMZ-HKUYNNGSSA-N 2 0 334.423 2.144 20 30 EEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001219271939 1297969752 /nfs/dbraw/zinc/96/97/52/1297969752.db2.gz YHTSQPHEDPBYIF-INIZCTEOSA-N 2 0 340.452 2.183 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001219669439 1298106504 /nfs/dbraw/zinc/10/65/04/1298106504.db2.gz YBVYEOUQVTYERH-NRFANRHFSA-N 2 0 341.499 2.366 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220785923 1298538494 /nfs/dbraw/zinc/53/84/94/1298538494.db2.gz GWHGGVFONIMADV-FGTMMUONSA-N 2 0 330.476 2.312 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220868614 1298565702 /nfs/dbraw/zinc/56/57/02/1298565702.db2.gz MDOJSOJTNMWWIL-FHWLQOOXSA-N 2 0 327.472 2.494 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265110 1298989778 /nfs/dbraw/zinc/98/97/78/1298989778.db2.gz BIEJLRSDFIUFOT-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790022 1299861981 /nfs/dbraw/zinc/86/19/81/1299861981.db2.gz RWYIFHNBRNHAOH-ZACQAIPSSA-N 2 0 325.472 2.165 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001102086343 1300271062 /nfs/dbraw/zinc/27/10/62/1300271062.db2.gz ZZONHONWEOMPMQ-ATZDWAIDSA-N 2 0 342.487 2.083 20 30 EEEDRP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H](C)C1 ZINC001102509089 1301162800 /nfs/dbraw/zinc/16/28/00/1301162800.db2.gz UVYMOFGIBKWSBM-MISYRCLQSA-N 2 0 341.499 2.387 20 30 EEEDRP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H](C)C1 ZINC001102509090 1301162897 /nfs/dbraw/zinc/16/28/97/1301162897.db2.gz UVYMOFGIBKWSBM-RLLQIKCJSA-N 2 0 341.499 2.387 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987675 1302028760 /nfs/dbraw/zinc/02/87/60/1302028760.db2.gz MUTQLEUOGIXKHI-QRVBRYPASA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166096 1304290822 /nfs/dbraw/zinc/29/08/22/1304290822.db2.gz DGKYWBODPOPKEA-BFHYXJOUSA-N 2 0 333.398 2.026 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112211051 1304337633 /nfs/dbraw/zinc/33/76/33/1304337633.db2.gz UKMNLPLNYKLDOO-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP C=CCCC[N@@H+]1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001277779415 1304396764 /nfs/dbraw/zinc/39/67/64/1304396764.db2.gz GZRPGMGOLONZKN-UHFFFAOYSA-N 2 0 330.476 2.163 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115573927 1305400092 /nfs/dbraw/zinc/40/00/92/1305400092.db2.gz YMXKGTDTDUKUOR-SFHVURJKSA-N 2 0 331.504 2.435 20 30 EEEDRP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2CC)CCC12C[NH2+]C2 ZINC001237437255 1305932744 /nfs/dbraw/zinc/93/27/44/1305932744.db2.gz UOXCQTWQUVIRMB-GOSISDBHSA-N 2 0 341.455 2.095 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261620 1309960687 /nfs/dbraw/zinc/96/06/87/1309960687.db2.gz YNVZNDAFWITNFA-QAELIBMJSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246304505 1310276981 /nfs/dbraw/zinc/27/69/81/1310276981.db2.gz NHQRALOETMIGGC-HZMVEIRTSA-N 2 0 325.497 2.112 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246306032 1310277133 /nfs/dbraw/zinc/27/71/33/1310277133.db2.gz TUWZPLBHHYAUNS-INIZCTEOSA-N 2 0 339.524 2.454 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246425438 1310308818 /nfs/dbraw/zinc/30/88/18/1310308818.db2.gz KDOWUYSHOPGQJD-ROUUACIJSA-N 2 0 346.906 2.486 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824789 1316893398 /nfs/dbraw/zinc/89/33/98/1316893398.db2.gz XVDROIBSFXVXEE-MRXNPFEDSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824848 1316893644 /nfs/dbraw/zinc/89/36/44/1316893644.db2.gz ZIVOZTNPSRJEHH-XLIONFOSSA-N 2 0 341.499 2.205 20 30 EEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155314242 1317548464 /nfs/dbraw/zinc/54/84/64/1317548464.db2.gz RTFDSTRWBQGXIU-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254663005 1318159475 /nfs/dbraw/zinc/15/94/75/1318159475.db2.gz NJKWNCHYPNSSHN-WJFTUGDTSA-N 2 0 344.503 2.086 20 30 EEEDRP N#C[C@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664637 1318161044 /nfs/dbraw/zinc/16/10/44/1318161044.db2.gz IXDYVLLFWFJNEI-IRXDYDNUSA-N 2 0 327.476 2.419 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001257224166 1318966605 /nfs/dbraw/zinc/96/66/05/1318966605.db2.gz QQJNQZOXIGKFKW-UHFFFAOYSA-N 2 0 334.552 2.151 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160290879 1320123743 /nfs/dbraw/zinc/12/37/43/1320123743.db2.gz BLYDECFJIPEJLD-KRWDZBQOSA-N 2 0 325.472 2.381 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160580982 1320205282 /nfs/dbraw/zinc/20/52/82/1320205282.db2.gz ZOGSGTLYEXIWGP-UHFFFAOYSA-N 2 0 336.439 2.418 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008859 1320353564 /nfs/dbraw/zinc/35/35/64/1320353564.db2.gz VDIGGCNLGZVHLH-HKUYNNGSSA-N 2 0 349.519 2.058 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001161089297 1320381534 /nfs/dbraw/zinc/38/15/34/1320381534.db2.gz JQXWPSMHYXGXJG-UHFFFAOYSA-N 2 0 340.471 2.148 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)Cn2ccnc2C(C)C)CC1 ZINC001161356123 1320471495 /nfs/dbraw/zinc/47/14/95/1320471495.db2.gz BZXGFGDCBWVINS-UHFFFAOYSA-N 2 0 328.460 2.168 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390398 1320485192 /nfs/dbraw/zinc/48/51/92/1320485192.db2.gz FIDOMEMZEOTFEM-LJQANCHMSA-N 2 0 331.504 2.411 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952967 1320691972 /nfs/dbraw/zinc/69/19/72/1320691972.db2.gz NBDAWVFRWWVNJT-LJQANCHMSA-N 2 0 349.519 2.202 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001162806980 1320963905 /nfs/dbraw/zinc/96/39/05/1320963905.db2.gz PTZZCDRWIWJHLG-HXUWFJFHSA-N 2 0 341.499 2.153 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001162952668 1320995328 /nfs/dbraw/zinc/99/53/28/1320995328.db2.gz UPICCKPPQXKHQG-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001166895808 1321812168 /nfs/dbraw/zinc/81/21/68/1321812168.db2.gz CIVZSPIMHWHCHB-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C12CCC2 ZINC001203358136 1321869425 /nfs/dbraw/zinc/86/94/25/1321869425.db2.gz IHBJMYUJQJXHPU-QZTJIDSGSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001208530400 1324544948 /nfs/dbraw/zinc/54/49/48/1324544948.db2.gz TYOXGKLWERCPFH-ATZDWAIDSA-N 2 0 342.487 2.081 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209714802 1325019634 /nfs/dbraw/zinc/01/96/34/1325019634.db2.gz CFEZXCNHQISLFK-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001491685926 1330205611 /nfs/dbraw/zinc/20/56/11/1330205611.db2.gz ZVQSKFXEVHQIPB-AWEZNQCLSA-N 2 0 334.489 2.090 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001340372901 1337170991 /nfs/dbraw/zinc/17/09/91/1337170991.db2.gz DETTWCPRRLSZTL-GOSISDBHSA-N 2 0 337.508 2.021 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341205809 1337286853 /nfs/dbraw/zinc/28/68/53/1337286853.db2.gz LCFDNRSZTKJGCR-INIZCTEOSA-N 2 0 325.497 2.045 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406636 1338347059 /nfs/dbraw/zinc/34/70/59/1338347059.db2.gz FWONCCYURAPHMR-UYSNPLJNSA-N 2 0 327.900 2.486 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001100618550 1338554503 /nfs/dbraw/zinc/55/45/03/1338554503.db2.gz NHRLQORHDPKZRP-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001436388754 1342066149 /nfs/dbraw/zinc/06/61/49/1342066149.db2.gz DWUXQKJUWBMIRM-JCNLHEQBSA-N 2 0 346.450 2.024 20 30 EEEDRP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579185746 1344349364 /nfs/dbraw/zinc/34/93/64/1344349364.db2.gz MELBTUFROBWCHS-VDZJLULYSA-N 2 0 329.444 2.285 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001202217916 1368899174 /nfs/dbraw/zinc/89/91/74/1368899174.db2.gz YANWBGSZVGDODA-UHFFFAOYSA-N 2 0 334.489 2.042 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001370172101 1374837361 /nfs/dbraw/zinc/83/73/61/1374837361.db2.gz UZUPYGFEPVQXOF-SFHVURJKSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001374379481 1376750183 /nfs/dbraw/zinc/75/01/83/1376750183.db2.gz CYHOVGMQGZOWDM-JSGCOSHPSA-N 2 0 346.313 2.063 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001374434407 1376810575 /nfs/dbraw/zinc/81/05/75/1376810575.db2.gz TUSMSDXCOMKKCU-RTBURBONSA-N 2 0 344.503 2.375 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001391836518 1389645067 /nfs/dbraw/zinc/64/50/67/1389645067.db2.gz XZDNDSZRFIZNBH-WGSAOQKQSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001392733919 1390180570 /nfs/dbraw/zinc/18/05/70/1390180570.db2.gz ZRUDNRZPFWLBLW-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001752921295 1406548792 /nfs/dbraw/zinc/54/87/92/1406548792.db2.gz PJNQJLBIEOWDHS-IRXDYDNUSA-N 2 0 327.472 2.187 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC(C)C)C2)CC1 ZINC001752984134 1406588910 /nfs/dbraw/zinc/58/89/10/1406588910.db2.gz VBSUELMIBPXKMI-OALUTQOASA-N 2 0 333.520 2.395 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001402051658 1397736236 /nfs/dbraw/zinc/73/62/36/1397736236.db2.gz ITBIIEUQJMTMKD-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001402434208 1397998600 /nfs/dbraw/zinc/99/86/00/1397998600.db2.gz RPNQBGCNQPVPGW-KGLIPLIRSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001423317399 1400516953 /nfs/dbraw/zinc/51/69/53/1400516953.db2.gz FEMHGRNVFMCMDU-CJNGLKHVSA-N 2 0 334.489 2.041 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001423449550 1400582835 /nfs/dbraw/zinc/58/28/35/1400582835.db2.gz JNLDZPJHBUVFBQ-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001424170577 1400945622 /nfs/dbraw/zinc/94/56/22/1400945622.db2.gz LTVFQTPBBFYYRJ-OAHLLOKOSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001425914287 1401801045 /nfs/dbraw/zinc/80/10/45/1401801045.db2.gz LWUJNSJALGRZCT-KBPBESRZSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC001574518146 1403521890 /nfs/dbraw/zinc/52/18/90/1403521890.db2.gz VSZQJWNDZKHTKF-OXJNMPFZSA-N 2 0 327.472 2.378 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087763024 782201761 /nfs/dbraw/zinc/20/17/61/782201761.db2.gz YSJTZUAVQAZJQA-RBUKOAKNSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425847 758349534 /nfs/dbraw/zinc/34/95/34/758349534.db2.gz LSPRTSONZCWCHS-ZWKOTPCHSA-N 2 0 349.519 2.082 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001104370450 759854695 /nfs/dbraw/zinc/85/46/95/759854695.db2.gz WMFOUYYYWKJMOH-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449986 760441741 /nfs/dbraw/zinc/44/17/41/760441741.db2.gz XFUXVBDDQIJLQL-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098609444 765423190 /nfs/dbraw/zinc/42/31/90/765423190.db2.gz BUOADQLMFSWFBM-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457603 769412377 /nfs/dbraw/zinc/41/23/77/769412377.db2.gz CLHUFEGZUYVKIG-KRWDZBQOSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100957 769711845 /nfs/dbraw/zinc/71/18/45/769711845.db2.gz ROUOKBKGCMNRKU-RBSFLKMASA-N 2 0 347.425 2.414 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088163704 783008009 /nfs/dbraw/zinc/00/80/09/783008009.db2.gz BASRCLRSODIYQA-MOPGFXCFSA-N 2 0 331.504 2.075 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980147502 773949445 /nfs/dbraw/zinc/94/94/45/773949445.db2.gz NSYRHSBGYMSUTA-BZSNNMDCSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216242 774126386 /nfs/dbraw/zinc/12/63/86/774126386.db2.gz RBBBRTJKBBYMTJ-JYJNAYRXSA-N 2 0 337.895 2.051 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001089819019 776776683 /nfs/dbraw/zinc/77/66/83/776776683.db2.gz DKISGFVIKRKAMX-WNHJNPCNSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833501 777339981 /nfs/dbraw/zinc/33/99/81/777339981.db2.gz LATZXSJAPIJLPN-RNQOJCNYSA-N 2 0 348.450 2.140 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414112 777343777 /nfs/dbraw/zinc/34/37/77/777343777.db2.gz HZMIXKMIAXSFMZ-JKSUJKDBSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981837846 778323395 /nfs/dbraw/zinc/32/33/95/778323395.db2.gz RXSRCGKOEVCKEE-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149397445 790802672 /nfs/dbraw/zinc/80/26/72/790802672.db2.gz BTXWTZMPDHHRIH-QZTJIDSGSA-N 2 0 339.524 2.258 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793702 781607418 /nfs/dbraw/zinc/60/74/18/781607418.db2.gz OGFJOKKTWHIBFG-CMKODMSKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105394495 781794498 /nfs/dbraw/zinc/79/44/98/781794498.db2.gz YRUUELCCAMULRX-GOSISDBHSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164543 781810269 /nfs/dbraw/zinc/81/02/69/781810269.db2.gz MNDAFOILKIEKTK-MGPQQGTHSA-N 2 0 335.414 2.272 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995208709 781873465 /nfs/dbraw/zinc/87/34/65/781873465.db2.gz ILTBIVQXISZKNA-HUUCEWRRSA-N 2 0 346.500 2.090 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088328926 783523453 /nfs/dbraw/zinc/52/34/53/783523453.db2.gz JEQATIPBJPGYGN-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001135308276 783569219 /nfs/dbraw/zinc/56/92/19/783569219.db2.gz QQUOOUSUVKRCOR-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCC[NH+](C)C ZINC001135314493 783596696 /nfs/dbraw/zinc/59/66/96/783596696.db2.gz BTHAYFHLZCMTOO-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001135314789 783597348 /nfs/dbraw/zinc/59/73/48/783597348.db2.gz HGQSJPLODQSHNF-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213624 784134485 /nfs/dbraw/zinc/13/44/85/784134485.db2.gz UFHSKXZCTKCULW-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135743983 784351959 /nfs/dbraw/zinc/35/19/59/784351959.db2.gz SPEQWUKKAKGLJF-DLBZAZTESA-N 2 0 347.478 2.392 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135743811 784353034 /nfs/dbraw/zinc/35/30/34/784353034.db2.gz PTORIBBEMORXPL-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824722 784533886 /nfs/dbraw/zinc/53/38/86/784533886.db2.gz WNNSZYLWROBBAD-SJORKVTESA-N 2 0 339.524 2.182 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035835713 785257157 /nfs/dbraw/zinc/25/71/57/785257157.db2.gz ANVKQNMUVDDPDM-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001171162362 789577532 /nfs/dbraw/zinc/57/75/32/789577532.db2.gz VXQCAUMCJSFTQN-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001091099897 789803398 /nfs/dbraw/zinc/80/33/98/789803398.db2.gz ATVAANKBMMWXMQ-CTWPCTMYSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114567 790139892 /nfs/dbraw/zinc/13/98/92/790139892.db2.gz WRTQALFPKCQBCM-RBSFLKMASA-N 2 0 347.425 2.272 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567018 791885983 /nfs/dbraw/zinc/88/59/83/791885983.db2.gz TXXCOZWEQVVITB-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098406 792096456 /nfs/dbraw/zinc/09/64/56/792096456.db2.gz PBACDFASNBFRCD-IRXDYDNUSA-N 2 0 339.499 2.296 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684810 792223761 /nfs/dbraw/zinc/22/37/61/792223761.db2.gz RMWBCAGDCIGDPL-QKLQHJQFSA-N 2 0 342.487 2.200 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001086953290 793089885 /nfs/dbraw/zinc/08/98/85/793089885.db2.gz CUQSKHWWCHFJDL-KRWDZBQOSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000999389776 794400920 /nfs/dbraw/zinc/40/09/20/794400920.db2.gz CGMXFTHJNRLSLS-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509221 794451337 /nfs/dbraw/zinc/45/13/37/794451337.db2.gz MYAKMUREFZVPQY-PZJWPPBQSA-N 2 0 343.515 2.245 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1F ZINC001079298810 794568980 /nfs/dbraw/zinc/56/89/80/794568980.db2.gz HTGFKUFNJDVYHO-FUHWJXTLSA-N 2 0 345.462 2.380 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755363 794786105 /nfs/dbraw/zinc/78/61/05/794786105.db2.gz VMEZZLVWHGFBBD-APWZRJJASA-N 2 0 336.439 2.202 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093383996 795127822 /nfs/dbraw/zinc/12/78/22/795127822.db2.gz RTPCWCLIOLJSJZ-ROUUACIJSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC001093413124 795155570 /nfs/dbraw/zinc/15/55/70/795155570.db2.gz KTGSEIPSVIVYPM-UHFFFAOYSA-N 2 0 349.519 2.178 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079847496 795318260 /nfs/dbraw/zinc/31/82/60/795318260.db2.gz IQPOKRWOWRAHPG-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108006823 795484414 /nfs/dbraw/zinc/48/44/14/795484414.db2.gz DROLMNMANGLNON-MJGOQNOKSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902897 796441704 /nfs/dbraw/zinc/44/17/04/796441704.db2.gz RQHGGKKVIRAGSO-QUCCMNQESA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765417 796482452 /nfs/dbraw/zinc/48/24/52/796482452.db2.gz AVJWQANUUNGPRD-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172308820 796951429 /nfs/dbraw/zinc/95/14/29/796951429.db2.gz ZZHLIUMQHILTGJ-MRXNPFEDSA-N 2 0 331.460 2.306 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742514 797675924 /nfs/dbraw/zinc/67/59/24/797675924.db2.gz IIKLLWBATQXPQN-SUYBPPKGSA-N 2 0 345.890 2.388 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001175047793 797976927 /nfs/dbraw/zinc/97/69/27/797976927.db2.gz BWCOLOQKYVIUAF-OAHLLOKOSA-N 2 0 348.466 2.414 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176111026 798353682 /nfs/dbraw/zinc/35/36/82/798353682.db2.gz DVYZQSUFFMRNJK-XLIONFOSSA-N 2 0 329.488 2.361 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853461 798505494 /nfs/dbraw/zinc/50/54/94/798505494.db2.gz QPILPIQHMPADFK-QRVBRYPASA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176737040 798542197 /nfs/dbraw/zinc/54/21/97/798542197.db2.gz FWUADBFKGIABIT-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001176926082 798630452 /nfs/dbraw/zinc/63/04/52/798630452.db2.gz FVYQXNZPIZCWNK-MRXNPFEDSA-N 2 0 345.462 2.328 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101468 798674992 /nfs/dbraw/zinc/67/49/92/798674992.db2.gz MKLPTOMFVBFLFQ-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176986390 798675199 /nfs/dbraw/zinc/67/51/99/798675199.db2.gz MQIPAGXLHLXNGO-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001176997068 798685703 /nfs/dbraw/zinc/68/57/03/798685703.db2.gz HZPSEHGROVRZGP-FQEVSTJZSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178943321 799710784 /nfs/dbraw/zinc/71/07/84/799710784.db2.gz UXOQIEKVLHGFBW-UHFFFAOYSA-N 2 0 337.508 2.084 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492316 799728185 /nfs/dbraw/zinc/72/81/85/799728185.db2.gz GEDXXFTZMGMQPN-LJQANCHMSA-N 2 0 331.504 2.387 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001179461307 799934380 /nfs/dbraw/zinc/93/43/80/799934380.db2.gz GHDSCTXEYAAWPT-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001180039858 800238294 /nfs/dbraw/zinc/23/82/94/800238294.db2.gz OWVOQSSGNFOTLP-HXUWFJFHSA-N 2 0 329.488 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)CC1 ZINC001085432549 800496727 /nfs/dbraw/zinc/49/67/27/800496727.db2.gz DSNBBBMPXPNTQO-RTBURBONSA-N 2 0 331.504 2.149 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182911062 801397344 /nfs/dbraw/zinc/39/73/44/801397344.db2.gz VSTRIFRULUQGRL-WSTZPKSXSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591107 801596741 /nfs/dbraw/zinc/59/67/41/801596741.db2.gz OCTFONDJIIKIAP-HCXYKTFWSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517299 801623630 /nfs/dbraw/zinc/62/36/30/801623630.db2.gz ZCTQCENKPNNHKR-QWFCFKBJSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592492 801663698 /nfs/dbraw/zinc/66/36/98/801663698.db2.gz QDPIZHMKXBOKKJ-KDURUIRLSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592240 801680532 /nfs/dbraw/zinc/68/05/32/801680532.db2.gz DTGBNLGDUBVTRT-IYWMVGAKSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946594977 801706398 /nfs/dbraw/zinc/70/63/98/801706398.db2.gz CLFFGNBZHNXVOU-WCXIOVBPSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001085986650 801840479 /nfs/dbraw/zinc/84/04/79/801840479.db2.gz KBCNGRUVGOCPIF-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1 ZINC001004456837 802116661 /nfs/dbraw/zinc/11/66/61/802116661.db2.gz ILLFKXMSCGYUDX-OALUTQOASA-N 2 0 346.519 2.476 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538189 802320952 /nfs/dbraw/zinc/32/09/52/802320952.db2.gz ARTVAQJDMKLBCT-RTBURBONSA-N 2 0 333.520 2.299 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004619355 802496482 /nfs/dbraw/zinc/49/64/82/802496482.db2.gz BSWHXPOFRAQPQF-IRXDYDNUSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001108258270 802612908 /nfs/dbraw/zinc/61/29/08/802612908.db2.gz PTCRSJQFOXXWJQ-IEBWSBKVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086365176 802832516 /nfs/dbraw/zinc/83/25/16/802832516.db2.gz HNACMYFOXFNTIT-YHUYYLMFSA-N 2 0 325.884 2.098 20 30 EEEDRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197537 803043904 /nfs/dbraw/zinc/04/39/04/803043904.db2.gz IEJBGLJLBJBAAC-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108280709 803077547 /nfs/dbraw/zinc/07/75/47/803077547.db2.gz XPZAIWHIFDNAKU-HXUWFJFHSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CC[C@@H](Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)C(=O)OC ZINC001169845537 804117055 /nfs/dbraw/zinc/11/70/55/804117055.db2.gz VWXYOFMNAZEPFN-GOSISDBHSA-N 2 0 331.460 2.387 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccccc2C#N)CC1 ZINC001169948374 804241106 /nfs/dbraw/zinc/24/11/06/804241106.db2.gz NMURMNDOPXWSNY-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789032 804498363 /nfs/dbraw/zinc/49/83/63/804498363.db2.gz BLWFQLLTHLQSRN-WDSOQIARSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001438441051 1090942983 /nfs/dbraw/zinc/94/29/83/1090942983.db2.gz WSXXSIBDRAEJKI-MGPQQGTHSA-N 2 0 346.313 2.252 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001438936266 1091619413 /nfs/dbraw/zinc/61/94/13/1091619413.db2.gz GLXMNAYGJBCEAV-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001448973115 1093977481 /nfs/dbraw/zinc/97/74/81/1093977481.db2.gz DTGPPWZLJYQAPM-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444373175 1098947424 /nfs/dbraw/zinc/94/74/24/1098947424.db2.gz CTDJQEUTCGADPH-QGZVFWFLSA-N 2 0 342.487 2.132 20 30 EEEDRP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001444739742 1099615433 /nfs/dbraw/zinc/61/54/33/1099615433.db2.gz BEHZYDPOKSNWLX-RHSMWYFYSA-N 2 0 348.516 2.334 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001446421671 1100833791 /nfs/dbraw/zinc/83/37/91/1100833791.db2.gz QMBWQSFFNMQIPV-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001496905917 1101698508 /nfs/dbraw/zinc/69/85/08/1101698508.db2.gz ASLXPWJTNGSZCT-JKSUJKDBSA-N 2 0 327.900 2.345 20 30 EEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978742 240315944 /nfs/dbraw/zinc/31/59/44/240315944.db2.gz KLCGPSDTWJEKAK-OWIUFQIYSA-N 2 0 346.450 2.008 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000491633979 246090248 /nfs/dbraw/zinc/09/02/48/246090248.db2.gz JEVIAFGGNFJMMH-UHFFFAOYSA-N 2 0 327.472 2.292 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084185285 285248700 /nfs/dbraw/zinc/24/87/00/285248700.db2.gz GETGHKJTQZXWJN-OAHLLOKOSA-N 2 0 334.489 2.108 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528433734 270022037 /nfs/dbraw/zinc/02/20/37/270022037.db2.gz SZQGQIOEHAFZOS-LJQANCHMSA-N 2 0 345.487 2.352 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C#N ZINC000578977142 468289172 /nfs/dbraw/zinc/28/91/72/468289172.db2.gz TWADGFWMGPKQRN-HKUYNNGSSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000057128312 463455029 /nfs/dbraw/zinc/45/50/29/463455029.db2.gz JWWUMXHYUYODSL-KRWDZBQOSA-N 2 0 345.512 2.346 20 30 EEEDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000579582274 468378972 /nfs/dbraw/zinc/37/89/72/468378972.db2.gz SYNNVEQUFPDDBA-FUHWJXTLSA-N 2 0 331.460 2.010 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000287519260 463913301 /nfs/dbraw/zinc/91/33/01/463913301.db2.gz SZBDUWUMAWNFPR-UHFFFAOYSA-N 2 0 348.491 2.393 20 30 EEEDRP COc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1C#N ZINC000289459043 464080203 /nfs/dbraw/zinc/08/02/03/464080203.db2.gz OCXQPUOTXOJDMQ-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOCCc1ccccc1 ZINC000264063489 464278308 /nfs/dbraw/zinc/27/83/08/464278308.db2.gz AGWMPJDQLHOVMZ-LJQANCHMSA-N 2 0 346.519 2.415 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000173600830 464291428 /nfs/dbraw/zinc/29/14/28/464291428.db2.gz TXSVWQXKJAGFMB-GOSISDBHSA-N 2 0 341.499 2.358 20 30 EEEDRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919084 468433747 /nfs/dbraw/zinc/43/37/47/468433747.db2.gz NNHNMSLDXUJQIT-LJQANCHMSA-N 2 0 328.460 2.156 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000299254455 465667633 /nfs/dbraw/zinc/66/76/33/465667633.db2.gz NXTOSRGPEFTFGX-HXUWFJFHSA-N 2 0 339.483 2.285 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000591570809 468484863 /nfs/dbraw/zinc/48/48/63/468484863.db2.gz QYCOEZJXCQEDDR-GBESFXJTSA-N 2 0 339.487 2.432 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000350560275 466537464 /nfs/dbraw/zinc/53/74/64/466537464.db2.gz UZSLRQAAVXSBHX-UHFFFAOYSA-N 2 0 332.517 2.469 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417535546 466878199 /nfs/dbraw/zinc/87/81/99/466878199.db2.gz WTNIOQORUYEMMW-AEFFLSMTSA-N 2 0 334.508 2.201 20 30 EEEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000442818388 467577890 /nfs/dbraw/zinc/57/78/90/467577890.db2.gz NVPPQBQWLHNZIA-PKOBYXMFSA-N 2 0 340.471 2.294 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000517716989 468093651 /nfs/dbraw/zinc/09/36/51/468093651.db2.gz ITACXSZMQYIJFF-UHFFFAOYSA-N 2 0 344.459 2.331 20 30 EEEDRP CC[C@@H](CC#N)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000566429477 468152287 /nfs/dbraw/zinc/15/22/87/468152287.db2.gz VZMREOYCBGYQKV-SFHVURJKSA-N 2 0 328.460 2.180 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000598721119 468973488 /nfs/dbraw/zinc/97/34/88/468973488.db2.gz SLHPQFCULYMEST-OALUTQOASA-N 2 0 329.488 2.441 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1)C(C)C ZINC000669385653 471471819 /nfs/dbraw/zinc/47/18/19/471471819.db2.gz IFMMOLWDTTVWGM-OKZBNKHCSA-N 2 0 336.524 2.454 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669464959 471507666 /nfs/dbraw/zinc/50/76/66/471507666.db2.gz RFBSUCQGVROLJZ-MSOLQXFVSA-N 2 0 348.535 2.448 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000113335766 526742869 /nfs/dbraw/zinc/74/28/69/526742869.db2.gz KDFDZHXBGHGHDM-IBGZPJMESA-N 2 0 343.515 2.452 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174155716 527021665 /nfs/dbraw/zinc/02/16/65/527021665.db2.gz GLYKAMVSBWPPJW-MRXNPFEDSA-N 2 0 339.439 2.139 20 30 EEEDRP CC[NH2+]Cc1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000415962162 528352739 /nfs/dbraw/zinc/35/27/39/528352739.db2.gz WNKBMAHGMHKOJQ-UHFFFAOYSA-N 2 0 331.464 2.495 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000750978602 577746216 /nfs/dbraw/zinc/74/62/16/577746216.db2.gz JGRWFQDFNQDSNV-UHFFFAOYSA-N 2 0 331.504 2.245 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)cc1 ZINC000969910901 675300804 /nfs/dbraw/zinc/30/08/04/675300804.db2.gz LKKIWCOWLDBBIT-IAGOWNOFSA-N 2 0 349.438 2.092 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133670 675633975 /nfs/dbraw/zinc/63/39/75/675633975.db2.gz JWFNATMLONYXAK-RBUKOAKNSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000970396318 675850417 /nfs/dbraw/zinc/85/04/17/675850417.db2.gz QWQTVRHCHGRXDU-OAHLLOKOSA-N 2 0 330.819 2.429 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700440 676359726 /nfs/dbraw/zinc/35/97/26/676359726.db2.gz PWZSSBAUASVDEK-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845671 676881749 /nfs/dbraw/zinc/88/17/49/676881749.db2.gz YQJKDZWANNAMNV-CVEARBPZSA-N 2 0 327.900 2.392 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023122864 679133768 /nfs/dbraw/zinc/13/37/68/679133768.db2.gz IAJBGCOKTHBHLV-RGCFKVTRSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001023128827 679136470 /nfs/dbraw/zinc/13/64/70/679136470.db2.gz USQGQSPDHQHHRM-KDURUIRLSA-N 2 0 329.488 2.069 20 30 EEEDRP C[NH+]=C(NCCN1CCC1)N(C)Cc1ccc(Br)s1 ZINC000261835602 681655269 /nfs/dbraw/zinc/65/52/69/681655269.db2.gz LDLVBPWXKZIEGE-UHFFFAOYSA-N 2 0 345.310 2.224 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261943099 682513291 /nfs/dbraw/zinc/51/32/91/682513291.db2.gz DZBQZKPSIVHXHL-HKUYNNGSSA-N 2 0 336.524 2.042 20 30 EEEDRP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261998900 682773511 /nfs/dbraw/zinc/77/35/11/682773511.db2.gz SZSDCNXAURUSCX-AUUYWEPGSA-N 2 0 342.487 2.255 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC000978618301 693751656 /nfs/dbraw/zinc/75/16/56/693751656.db2.gz RRXHZPJSSXQEGY-CADBVGFASA-N 2 0 333.520 2.369 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984046516 684016838 /nfs/dbraw/zinc/01/68/38/684016838.db2.gz FVCJDUOSCHKXLT-FHWLQOOXSA-N 2 0 340.471 2.027 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262464581 686168322 /nfs/dbraw/zinc/16/83/22/686168322.db2.gz YCKUFRBNOHTJKC-KNIMUDFMSA-N 2 0 326.488 2.408 20 30 EEEDRP C[C@@H]1C[NH+](CCOc2ccc(CCNC3=[NH+]CCN3C)cc2)C[C@H]1C ZINC000262638354 687693371 /nfs/dbraw/zinc/69/33/71/687693371.db2.gz HDJPGODMDNQPAI-IAGOWNOFSA-N 2 0 344.503 2.087 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989169687 691491262 /nfs/dbraw/zinc/49/12/62/691491262.db2.gz KQSBHLKDMRIASS-UONOGXRCSA-N 2 0 345.834 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636391 692099235 /nfs/dbraw/zinc/09/92/35/692099235.db2.gz WOLAHCHNVXRROP-GDBMZVCRSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990664062 693170887 /nfs/dbraw/zinc/17/08/87/693170887.db2.gz SSQILJFQKVBRAS-FBBABVLZSA-N 2 0 343.515 2.387 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@@H](C)C1 ZINC000944124010 1192898286 /nfs/dbraw/zinc/89/82/86/1192898286.db2.gz ZGXIWPSJWNIGJW-RDJZCZTQSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001088410210 1186821711 /nfs/dbraw/zinc/82/17/11/1186821711.db2.gz BJCNDUDEAPLHSI-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001105444250 1187181508 /nfs/dbraw/zinc/18/15/08/1187181508.db2.gz CGXNDHUONGMMNM-QFUCXCTJSA-N 2 0 341.499 2.320 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001105474720 1188040130 /nfs/dbraw/zinc/04/01/30/1188040130.db2.gz QNNXWMMIFUEESG-FDYSRKEFSA-N 2 0 349.519 2.177 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219739 1193757539 /nfs/dbraw/zinc/75/75/39/1193757539.db2.gz VHTMJOVZLNQBNQ-HUUCEWRRSA-N 2 0 348.516 2.336 20 30 EEEDRP C[NH+]1CCC(C)(C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273100737 1194384777 /nfs/dbraw/zinc/38/47/77/1194384777.db2.gz CXUNNFCJKIXYMU-UHFFFAOYSA-N 2 0 346.519 2.337 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809195 1194417299 /nfs/dbraw/zinc/41/72/99/1194417299.db2.gz YZSLSNQCVXUGSD-ZCNNSNEGSA-N 2 0 345.531 2.443 20 30 EEEDRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777019 1195260989 /nfs/dbraw/zinc/26/09/89/1195260989.db2.gz SFJWFFPAKZGDMQ-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001438802719 1198909205 /nfs/dbraw/zinc/90/92/05/1198909205.db2.gz INEVVAOULNHNDR-ZDUSSCGKSA-N 2 0 346.313 2.110 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001132264786 1199501096 /nfs/dbraw/zinc/50/10/96/1199501096.db2.gz BLCSFWSIOGLTSY-RDJZCZTQSA-N 2 0 349.475 2.127 20 30 EEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134739278 1199782033 /nfs/dbraw/zinc/78/20/33/1199782033.db2.gz BQZHIDJRGLQGCS-SJORKVTESA-N 2 0 339.524 2.184 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519201 1199804480 /nfs/dbraw/zinc/80/44/80/1199804480.db2.gz VAXOGHLRVSCLOM-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133358716 1200789147 /nfs/dbraw/zinc/78/91/47/1200789147.db2.gz CVFFZWPMMBRMGZ-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCN1CC[C@@]2(CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274267362 1204981132 /nfs/dbraw/zinc/98/11/32/1204981132.db2.gz FFCFMFULURTCKE-FQEVSTJZSA-N 2 0 336.439 2.401 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCOC2)cc1C#N ZINC001275172834 1205273696 /nfs/dbraw/zinc/27/36/96/1205273696.db2.gz WRBNFJAOKMMBEW-CCNLRDMRSA-N 2 0 328.460 2.018 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC[NH2+]C(C)(C)C ZINC000930980171 1206597125 /nfs/dbraw/zinc/59/71/25/1206597125.db2.gz ULNOGIDUUYZGAK-UHFFFAOYSA-N 2 0 330.476 2.227 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])NC(C)C)CC2)c1 ZINC000303879926 1213917958 /nfs/dbraw/zinc/91/79/58/1213917958.db2.gz GUXBLXLMZYVOEG-UHFFFAOYSA-N 2 0 331.508 2.210 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303902026 1213922100 /nfs/dbraw/zinc/92/21/00/1213922100.db2.gz SWNKJNBSRFQWLW-IRXDYDNUSA-N 2 0 325.545 2.132 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[NH+]2CCCC2)s1 ZINC001037126591 1213944925 /nfs/dbraw/zinc/94/49/25/1213944925.db2.gz QXEUIMLLDIEYHN-YOEHRIQHSA-N 2 0 346.500 2.090 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552698 1215204046 /nfs/dbraw/zinc/20/40/46/1215204046.db2.gz XGFOZJAAKWAXER-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180483 1217073640 /nfs/dbraw/zinc/07/36/40/1217073640.db2.gz HKESATFYSWNGAI-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248300 1217108413 /nfs/dbraw/zinc/10/84/13/1217108413.db2.gz DQBDPTWKFWVGEA-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270467 1217120329 /nfs/dbraw/zinc/12/03/29/1217120329.db2.gz IHLBRSKPPHCPFK-MSOLQXFVSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961338728 1217149000 /nfs/dbraw/zinc/14/90/00/1217149000.db2.gz GXLVZJVYKCMXST-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961405715 1217177928 /nfs/dbraw/zinc/17/79/28/1217177928.db2.gz LIESLHHMMDCYER-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315205 1217508073 /nfs/dbraw/zinc/50/80/73/1217508073.db2.gz RJMNMFRHTSNYKX-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393950 1217591714 /nfs/dbraw/zinc/59/17/14/1217591714.db2.gz ZXPHRRGECBGHAI-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000963426882 1217620709 /nfs/dbraw/zinc/62/07/09/1217620709.db2.gz DDXNKQXDDZODOE-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000964022005 1218202668 /nfs/dbraw/zinc/20/26/68/1218202668.db2.gz RQOYQSXBKWVIPA-UHFFFAOYSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037859234 1219615994 /nfs/dbraw/zinc/61/59/94/1219615994.db2.gz IMRICSDFLYYHKR-HOCLYGCPSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680645 1221487069 /nfs/dbraw/zinc/48/70/69/1221487069.db2.gz CEJBLVXSVMGUPZ-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016791642 1226882172 /nfs/dbraw/zinc/88/21/72/1226882172.db2.gz ULLQFQUEYHBONJ-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001019815157 1229361095 /nfs/dbraw/zinc/36/10/95/1229361095.db2.gz AJCIEMHBPNKFLW-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038369999 1229773870 /nfs/dbraw/zinc/77/38/70/1229773870.db2.gz ZXDNCGOKJUZFER-OALUTQOASA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131909 1230340398 /nfs/dbraw/zinc/34/03/98/1230340398.db2.gz YJJPJDIYVZJMQL-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039135199 1230347135 /nfs/dbraw/zinc/34/71/35/1230347135.db2.gz YXOGTNAADVQYPV-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039235618 1230469444 /nfs/dbraw/zinc/46/94/44/1230469444.db2.gz QQYXWKRDFBJPRE-MSOLQXFVSA-N 2 0 342.487 2.343 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001039250432 1230485959 /nfs/dbraw/zinc/48/59/59/1230485959.db2.gz KKXCJLQDQGFYCF-UXHICEINSA-N 2 0 343.515 2.221 20 30 EEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387778 1231200104 /nfs/dbraw/zinc/20/01/04/1231200104.db2.gz JOZLJJAHSBGKLJ-BEFAXECRSA-N 2 0 328.460 2.330 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040948740 1231408175 /nfs/dbraw/zinc/40/81/75/1231408175.db2.gz YLTPCSKOGNPMRC-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348181 1231514435 /nfs/dbraw/zinc/51/44/35/1231514435.db2.gz GYKVRTJEBJQVGT-AZUAARDMSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041778250 1231689749 /nfs/dbraw/zinc/68/97/49/1231689749.db2.gz VBIKUKSKELGNMF-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945206 1234206167 /nfs/dbraw/zinc/20/61/67/1234206167.db2.gz ORTNXCXQCYMVMA-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966333 1234246061 /nfs/dbraw/zinc/24/60/61/1234246061.db2.gz UANIVKALFIBOPD-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CC1 ZINC001047209724 1235673882 /nfs/dbraw/zinc/67/38/82/1235673882.db2.gz WOAVDUZUIOLHSI-UREDTVFBSA-N 2 0 349.906 2.053 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047265975 1235779602 /nfs/dbraw/zinc/77/96/02/1235779602.db2.gz NATNIHCOXWHPCK-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047265976 1235779794 /nfs/dbraw/zinc/77/97/94/1235779794.db2.gz NATNIHCOXWHPCK-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526667 1237867802 /nfs/dbraw/zinc/86/78/02/1237867802.db2.gz XNBGWTMBGQPNEX-QXCFHYIPSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584370 1238025954 /nfs/dbraw/zinc/02/59/54/1238025954.db2.gz YUCZEGDPMONAMP-BJWYYQGGSA-N 2 0 340.471 2.144 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048587042 1238032242 /nfs/dbraw/zinc/03/22/42/1238032242.db2.gz BDVRRETXZYJUIO-JONQDZQNSA-N 2 0 325.884 2.050 20 30 EEEDRP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001048628220 1238139966 /nfs/dbraw/zinc/13/99/66/1238139966.db2.gz AQKRCCSHDQPHKG-QGZVFWFLSA-N 2 0 342.487 2.012 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885569 1239138134 /nfs/dbraw/zinc/13/81/34/1239138134.db2.gz ZEJUGFKKJJVJOZ-HDICACEKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000102191 1239942370 /nfs/dbraw/zinc/94/23/70/1239942370.db2.gz ICAPCHVYVDBFQH-UONOGXRCSA-N 2 0 346.313 2.062 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC001000248706 1240099374 /nfs/dbraw/zinc/09/93/74/1240099374.db2.gz OEGCLMWYOUXEPL-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001000991179 1241392452 /nfs/dbraw/zinc/39/24/52/1241392452.db2.gz HGGAMRHCNIMNMD-GOSISDBHSA-N 2 0 345.512 2.174 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768369 1242137065 /nfs/dbraw/zinc/13/70/65/1242137065.db2.gz VYGBVQXXLKKPJP-GUDVDZBRSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001050727678 1244226004 /nfs/dbraw/zinc/22/60/04/1244226004.db2.gz JLAVRCIPETXEPM-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709492 1244803224 /nfs/dbraw/zinc/80/32/24/1244803224.db2.gz NUUDFCCKLWIHLJ-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046583 1245762532 /nfs/dbraw/zinc/76/25/32/1245762532.db2.gz LFHKZIZTWQBXOT-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104166 1245916455 /nfs/dbraw/zinc/91/64/55/1245916455.db2.gz CQGQPWXRABKTNG-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182884 1247637755 /nfs/dbraw/zinc/63/77/55/1247637755.db2.gz TUAXFHCBPXHPHL-FPOVZHCZSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099496885 1258178158 /nfs/dbraw/zinc/17/81/58/1258178158.db2.gz MZVSQRKSGNPDSP-MLHJIOFPSA-N 2 0 333.520 2.462 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100896825 1259407750 /nfs/dbraw/zinc/40/77/50/1259407750.db2.gz MNPFTEHZYXESHD-UHFFFAOYSA-N 2 0 341.499 2.254 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185411731 1278641487 /nfs/dbraw/zinc/64/14/87/1278641487.db2.gz LNTXLXLSVQADBS-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001187239769 1279446637 /nfs/dbraw/zinc/44/66/37/1279446637.db2.gz DEBGAULQJNCRQU-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445274 1281987179 /nfs/dbraw/zinc/98/71/79/1281987179.db2.gz LESHJNMJMYASDS-ZCNNSNEGSA-N 2 0 341.499 2.441 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1OC ZINC001198960855 1285444716 /nfs/dbraw/zinc/44/47/16/1285444716.db2.gz OHBRFAXUPSBAQW-QGZVFWFLSA-N 2 0 343.471 2.114 20 30 EEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252776 1295950308 /nfs/dbraw/zinc/95/03/08/1295950308.db2.gz PYCZZNRFMFLZGU-BRWVUGGUSA-N 2 0 337.508 2.031 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921578 1296223396 /nfs/dbraw/zinc/22/33/96/1296223396.db2.gz FPFNSSRCLSBLJG-RTBURBONSA-N 2 0 345.487 2.143 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099542069 1299201881 /nfs/dbraw/zinc/20/18/81/1299201881.db2.gz AQQOLRZECZZPAJ-HZMVEIRTSA-N 2 0 339.911 2.250 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548755 1299209273 /nfs/dbraw/zinc/20/92/73/1299209273.db2.gz ZYYCBLLVRJIWBI-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001225228451 1300935797 /nfs/dbraw/zinc/93/57/97/1300935797.db2.gz JRZUCUCUJDJNHR-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225578526 1301072697 /nfs/dbraw/zinc/07/26/97/1301072697.db2.gz WFFOQDOVIOQPPT-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103217637 1302506762 /nfs/dbraw/zinc/50/67/62/1302506762.db2.gz PVWPTALMLBCMOP-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622564 1303331664 /nfs/dbraw/zinc/33/16/64/1303331664.db2.gz OZDACTPWUZTOPZ-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767500 1303443064 /nfs/dbraw/zinc/44/30/64/1303443064.db2.gz VJRFVEKRKBUNQJ-RBUKOAKNSA-N 2 0 344.503 2.306 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001104194478 1303636246 /nfs/dbraw/zinc/63/62/46/1303636246.db2.gz HETFOGBXGTYFHM-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP COc1cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278285769 1308974238 /nfs/dbraw/zinc/97/42/38/1308974238.db2.gz JOQUKKKIOWQXDF-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001121616440 1310071948 /nfs/dbraw/zinc/07/19/48/1310071948.db2.gz KWGWBHCZNQVFKI-FUSSNKQKSA-N 2 0 331.504 2.149 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231400 1310244456 /nfs/dbraw/zinc/24/44/56/1310244456.db2.gz JWIRXKWEBAWTHI-ACVRPFEBSA-N 2 0 349.519 2.079 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246314626 1310279778 /nfs/dbraw/zinc/27/97/78/1310279778.db2.gz XTVGHSDAIGAQQN-BBWFWOEESA-N 2 0 325.497 2.114 20 30 EEEDRP COc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C#N)C2)cc1 ZINC001246966898 1310483262 /nfs/dbraw/zinc/48/32/62/1310483262.db2.gz WANVJJWZWNVYQK-VJANTYMQSA-N 2 0 342.487 2.411 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203004863 1314814135 /nfs/dbraw/zinc/81/41/35/1314814135.db2.gz JEDVCBQPDTUFEC-UHFFFAOYSA-N 2 0 334.489 2.042 20 30 EEEDRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834505690 1314846260 /nfs/dbraw/zinc/84/62/60/1314846260.db2.gz MVMQRSSUIWYMBI-WOJBJXKFSA-N 2 0 348.450 2.160 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000836441678 1314994913 /nfs/dbraw/zinc/99/49/13/1314994913.db2.gz COQNUYDYNZUWBO-GOSISDBHSA-N 2 0 334.508 2.038 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777399 1316372631 /nfs/dbraw/zinc/37/26/31/1316372631.db2.gz DOODMVLTTQEFFQ-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152445585 1316672358 /nfs/dbraw/zinc/67/23/58/1316672358.db2.gz KALOOPSXVILNKO-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226117 1317510131 /nfs/dbraw/zinc/51/01/31/1317510131.db2.gz HMUSMYRDPGHYCV-IAGOWNOFSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237934 1317516963 /nfs/dbraw/zinc/51/69/63/1317516963.db2.gz QSCSQERRMUCGCB-QAPCUYQASA-N 2 0 325.472 2.049 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001252481586 1317613693 /nfs/dbraw/zinc/61/36/93/1317613693.db2.gz DHKISPXRICEZDG-YSTOQKLRSA-N 2 0 330.472 2.050 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccsc2)CC1 ZINC001157091767 1318394973 /nfs/dbraw/zinc/39/49/73/1318394973.db2.gz ARZAASHSUJVCNI-MRXNPFEDSA-N 2 0 347.528 2.420 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3cc(C#N)cc(Cl)n3)CC2)CC1 ZINC001157835579 1318895894 /nfs/dbraw/zinc/89/58/94/1318895894.db2.gz FVCMYPFIAXNLQA-UHFFFAOYSA-N 2 0 333.867 2.070 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001157886272 1318916752 /nfs/dbraw/zinc/91/67/52/1318916752.db2.gz DNGHEKKDRMWEHY-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155463 1320085927 /nfs/dbraw/zinc/08/59/27/1320085927.db2.gz GPFPUUKHTPXYEC-IBGZPJMESA-N 2 0 331.504 2.433 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001160266364 1320116360 /nfs/dbraw/zinc/11/63/60/1320116360.db2.gz DMKVHNVIPPLCPL-QGZVFWFLSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001162982978 1321004383 /nfs/dbraw/zinc/00/43/83/1321004383.db2.gz TYPBJUULJRTTTJ-UHFFFAOYSA-N 2 0 341.499 2.319 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001163001430 1321009823 /nfs/dbraw/zinc/00/98/23/1321009823.db2.gz CAAYDLNEORQDGD-LJQANCHMSA-N 2 0 329.488 2.175 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001164450138 1321382169 /nfs/dbraw/zinc/38/21/69/1321382169.db2.gz YQKPWACTDCHNSE-HXUWFJFHSA-N 2 0 341.499 2.256 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203490557 1321894982 /nfs/dbraw/zinc/89/49/82/1321894982.db2.gz CIDMVFFTMFQSPN-RTBURBONSA-N 2 0 339.483 2.402 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205296929 1322345117 /nfs/dbraw/zinc/34/51/17/1322345117.db2.gz JCPHMHDOVGNJKZ-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001205457872 1323145193 /nfs/dbraw/zinc/14/51/93/1323145193.db2.gz TULZNBGRUCSIQX-LJQANCHMSA-N 2 0 349.519 2.034 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276608639 1324764883 /nfs/dbraw/zinc/76/48/83/1324764883.db2.gz ROIBPCAISMTYLH-HXUWFJFHSA-N 2 0 343.519 2.136 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210494749 1325309998 /nfs/dbraw/zinc/30/99/98/1325309998.db2.gz XFRIBTFUHDKQAO-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C=CCN1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001308247763 1331577938 /nfs/dbraw/zinc/57/79/38/1331577938.db2.gz ZRQLRRPUSBKLEN-UHFFFAOYSA-N 2 0 328.504 2.178 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001100464570 1338400674 /nfs/dbraw/zinc/40/06/74/1338400674.db2.gz BFHMXOOYIUMXCY-UHFFFAOYSA-N 2 0 336.867 2.145 20 30 EEEDRP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001574614417 1343689397 /nfs/dbraw/zinc/68/93/97/1343689397.db2.gz AZBSILPKPMEFDS-SJORKVTESA-N 2 0 344.507 2.037 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCCC1 ZINC001134757551 1367781029 /nfs/dbraw/zinc/78/10/29/1367781029.db2.gz PNYKJBXJFWKLST-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211868 1371361603 /nfs/dbraw/zinc/36/16/03/1371361603.db2.gz AKNUCFLCLSCDKG-VXGBXAGGSA-N 2 0 341.805 2.058 20 30 EEEDRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccccc1C#N ZINC001366488043 1373916196 /nfs/dbraw/zinc/91/61/96/1373916196.db2.gz MREXJNLROPYIRC-QGZVFWFLSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001389895353 1388351337 /nfs/dbraw/zinc/35/13/37/1388351337.db2.gz DOHQDCFRQOAVGE-BQFCYCMXSA-N 2 0 346.450 2.020 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001374384700 1376755265 /nfs/dbraw/zinc/75/52/65/1376755265.db2.gz NNMGMKAGCNAYJC-WMLDXEAASA-N 2 0 348.516 2.288 20 30 EEEDRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001377946953 1379588478 /nfs/dbraw/zinc/58/84/78/1379588478.db2.gz FVXYQQWGRZFNFD-GOSISDBHSA-N 2 0 344.503 2.473 20 30 EEEDRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001378319081 1379861768 /nfs/dbraw/zinc/86/17/68/1379861768.db2.gz IWMNIEZCTOSOBV-FUHWJXTLSA-N 2 0 348.466 2.268 20 30 EEEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001378922057 1380283817 /nfs/dbraw/zinc/28/38/17/1380283817.db2.gz GAAUYAKTTPBHTA-INIZCTEOSA-N 2 0 327.900 2.394 20 30 EEEDRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392234465 1389916479 /nfs/dbraw/zinc/91/64/79/1389916479.db2.gz OVDWHVKFZZLMRV-KRWDZBQOSA-N 2 0 348.516 2.334 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001393831400 1390552016 /nfs/dbraw/zinc/55/20/16/1390552016.db2.gz XYCREHYMDQDZJQ-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001394717066 1390744182 /nfs/dbraw/zinc/74/41/82/1390744182.db2.gz RXFLSVDTQGZULO-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001398677320 1394146646 /nfs/dbraw/zinc/14/66/46/1394146646.db2.gz DGUIJABQFWXRGJ-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001401302354 1397135150 /nfs/dbraw/zinc/13/51/50/1397135150.db2.gz VUGMCJHNVRUBKB-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001402242163 1397890050 /nfs/dbraw/zinc/89/00/50/1397890050.db2.gz JSMAKKVKHNVVKD-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001402893983 1398262262 /nfs/dbraw/zinc/26/22/62/1398262262.db2.gz ZLXFKAOEYLCPDK-MRXNPFEDSA-N 2 0 327.900 2.251 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001423489214 1400600604 /nfs/dbraw/zinc/60/06/04/1400600604.db2.gz DLKNLLUIWRTRNR-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CN(C)Cc2ccccc2)CCC1 ZINC001424212316 1400973059 /nfs/dbraw/zinc/97/30/59/1400973059.db2.gz RBZNPRRQJBRTBZ-UHFFFAOYSA-N 2 0 335.879 2.499 20 30 EEEDRP C#CC[C@]1(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCC[NH2+]1 ZINC001574518074 1403521839 /nfs/dbraw/zinc/52/18/39/1403521839.db2.gz TWGFNNIWDKUKLH-HXUWFJFHSA-N 2 0 331.504 2.294 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755705454 1407757160 /nfs/dbraw/zinc/75/71/60/1407757160.db2.gz YXEJGFVGALVGEX-UYAOXDASSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560097 1410396981 /nfs/dbraw/zinc/39/69/81/1410396981.db2.gz JBWNIZWPZKKFTA-MJGOQNOKSA-N 2 0 328.460 2.036 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167611 782205331 /nfs/dbraw/zinc/20/53/31/782205331.db2.gz VEUCMKXGDICKGA-ZIAGYGMSSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001087311617 761587307 /nfs/dbraw/zinc/58/73/07/761587307.db2.gz RESZHEWFABYHOY-CEXWTWQISA-N 2 0 345.531 2.345 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020695 764798761 /nfs/dbraw/zinc/79/87/61/764798761.db2.gz VAQBXLGVYIGUER-ICSRJNTNSA-N 2 0 331.504 2.247 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130129 782951126 /nfs/dbraw/zinc/95/11/26/782951126.db2.gz XKEOLYVIGLKQQO-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980169837 774000136 /nfs/dbraw/zinc/00/01/36/774000136.db2.gz JJAVZLZHEYLKIV-OKZBNKHCSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705872 774558329 /nfs/dbraw/zinc/55/83/29/774558329.db2.gz BVXRIVLNIVVDQE-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453992 776594264 /nfs/dbraw/zinc/59/42/64/776594264.db2.gz OLTDDMCHLSAQMH-CZUORRHYSA-N 2 0 327.900 2.296 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093730 777407699 /nfs/dbraw/zinc/40/76/99/777407699.db2.gz PFEPSUXYCZXERS-RTBURBONSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCc3sccc3C2)C[C@H]1C ZINC000939817654 777444114 /nfs/dbraw/zinc/44/41/14/777444114.db2.gz WCSKLOLIFUMRBJ-GDBMZVCRSA-N 2 0 333.501 2.119 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839479 777549661 /nfs/dbraw/zinc/54/96/61/777549661.db2.gz TZPQTEYGSUFSOU-FZDIXFNVSA-N 2 0 336.439 2.303 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981865428 778420829 /nfs/dbraw/zinc/42/08/29/778420829.db2.gz RMWRWARMODNRIC-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C[C@H](F)CC)C3)CC1 ZINC000982161897 779180494 /nfs/dbraw/zinc/18/04/94/779180494.db2.gz CIZHPXSUUKNXIY-GOSISDBHSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279890 779518800 /nfs/dbraw/zinc/51/88/00/779518800.db2.gz LUCYXMHXDJRPJD-IZZBFERCSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296653 779613888 /nfs/dbraw/zinc/61/38/88/779613888.db2.gz WVTBVEMSWKVUBB-NRSPTQNISA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001035132025 783864336 /nfs/dbraw/zinc/86/43/36/783864336.db2.gz WYUAONFYZXIYDK-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035227132 784115479 /nfs/dbraw/zinc/11/54/79/784115479.db2.gz OMHMCMOSHZKKBM-ZWKOTPCHSA-N 2 0 333.520 2.465 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135743814 784352280 /nfs/dbraw/zinc/35/22/80/784352280.db2.gz PTORIBBEMORXPL-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001035614530 784854247 /nfs/dbraw/zinc/85/42/47/784854247.db2.gz PPGRADUPKHNJDW-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977546 784927838 /nfs/dbraw/zinc/92/78/38/784927838.db2.gz VGSBEQUKPZDCEB-KGLIPLIRSA-N 2 0 336.505 2.334 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478688 786434213 /nfs/dbraw/zinc/43/42/13/786434213.db2.gz TUQQHGAUVRLXEI-HOCLYGCPSA-N 2 0 325.884 2.194 20 30 EEEDRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)C1CCC1 ZINC000996664084 787021359 /nfs/dbraw/zinc/02/13/59/787021359.db2.gz FAJWLZWTEMNYIW-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107451211 787271758 /nfs/dbraw/zinc/27/17/58/787271758.db2.gz RHPNWPAFIZSPGB-QWFCFKBJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000923294610 789325808 /nfs/dbraw/zinc/32/58/08/789325808.db2.gz NRZGCXIEAAHJQZ-DAWZGUTISA-N 2 0 348.487 2.365 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CC[NH3+])CC2)c(OC)c1 ZINC000923386251 789481577 /nfs/dbraw/zinc/48/15/77/789481577.db2.gz IOSQNBDPFJXTDQ-SFHVURJKSA-N 2 0 348.487 2.224 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997344841 789647878 /nfs/dbraw/zinc/64/78/78/789647878.db2.gz KGQKXDBMEJFVPG-MRXNPFEDSA-N 2 0 327.472 2.212 20 30 EEEDRP C[C@H](Cc1cccc(C#N)c1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001171231416 790232057 /nfs/dbraw/zinc/23/20/57/790232057.db2.gz JLEIHGAKEXRGNZ-GOSISDBHSA-N 2 0 340.515 2.449 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001146341445 791213658 /nfs/dbraw/zinc/21/36/58/791213658.db2.gz YJILAXZXVLVWOJ-LSDHHAIUSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000997855003 791288766 /nfs/dbraw/zinc/28/87/66/791288766.db2.gz ITSQJUHVVGCVHN-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005655 791817179 /nfs/dbraw/zinc/81/71/79/791817179.db2.gz HRSQCFWVNHBKBC-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009349 791826158 /nfs/dbraw/zinc/82/61/58/791826158.db2.gz WNIAFQVDLVHSRI-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567016 791885603 /nfs/dbraw/zinc/88/56/03/791885603.db2.gz TXXCOZWEQVVITB-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998270668 792411540 /nfs/dbraw/zinc/41/15/40/792411540.db2.gz VGNBLPQGUDFPOO-CABCVRRESA-N 2 0 347.425 2.416 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992143788 792905748 /nfs/dbraw/zinc/90/57/48/792905748.db2.gz CYXFAAPPMLHXFF-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809900 793281527 /nfs/dbraw/zinc/28/15/27/793281527.db2.gz ZMVQOCFHNREYPX-GGPKGHCWSA-N 2 0 333.520 2.463 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506874 794557747 /nfs/dbraw/zinc/55/77/47/794557747.db2.gz CFEKXEUIDTWVEG-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@@H]21 ZINC001036774562 794922696 /nfs/dbraw/zinc/92/26/96/794922696.db2.gz HMPIXGFUBOJGBN-WMZOPIPTSA-N 2 0 342.487 2.261 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371825 795103413 /nfs/dbraw/zinc/10/34/13/795103413.db2.gz VNAGUDYEDKHFOM-RBUKOAKNSA-N 2 0 343.515 2.053 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001106288974 795346608 /nfs/dbraw/zinc/34/66/08/795346608.db2.gz VOAHZRVPBXFDPI-KZNAEPCWSA-N 2 0 330.476 2.178 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853968 795500963 /nfs/dbraw/zinc/50/09/63/795500963.db2.gz CBGAWVHNAWWOCY-IAGOWNOFSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431619 795580082 /nfs/dbraw/zinc/58/00/82/795580082.db2.gz HCIMAHKXDHZJSM-IUODEOHRSA-N 2 0 332.835 2.385 20 30 EEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171771288 796727666 /nfs/dbraw/zinc/72/76/66/796727666.db2.gz ADWXVPATRPWJEH-MRXNPFEDSA-N 2 0 339.443 2.169 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082199011 797290817 /nfs/dbraw/zinc/29/08/17/797290817.db2.gz WNVMKBUYMVZQMC-RCCFBDPRSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545874 798311520 /nfs/dbraw/zinc/31/15/20/798311520.db2.gz WVQGMKPDGJBYKH-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392517 798333960 /nfs/dbraw/zinc/33/39/60/798333960.db2.gz WBIQIOMWKQQFHV-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089405944 798415391 /nfs/dbraw/zinc/41/53/91/798415391.db2.gz FLFOFSXTZPLFBF-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176845444 798618322 /nfs/dbraw/zinc/61/83/22/798618322.db2.gz TYLYSXQXFVMBFW-HZPDHXFCSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccccc2CC)CC1 ZINC001176925852 798630483 /nfs/dbraw/zinc/63/04/83/798630483.db2.gz CMXROLVEICOBQU-UHFFFAOYSA-N 2 0 341.499 2.190 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585609 806695513 /nfs/dbraw/zinc/69/55/13/806695513.db2.gz IEKQHOUSNRPYFX-ZVDOUQERSA-N 2 0 345.531 2.348 20 30 EEEDRP O=C(CCCC[NH+]1CCCC1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001177333258 798868423 /nfs/dbraw/zinc/86/84/23/798868423.db2.gz WGYZDDANNBSWPA-UHFFFAOYSA-N 2 0 341.499 2.400 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001177467048 798952237 /nfs/dbraw/zinc/95/22/37/798952237.db2.gz ROBIVXNGMXPDAC-IBGZPJMESA-N 2 0 333.520 2.350 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001178045306 799228428 /nfs/dbraw/zinc/22/84/28/799228428.db2.gz IHGIFFKLHWFLGF-FQEVSTJZSA-N 2 0 341.499 2.399 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CCN1C(=O)CCC[NH+](C)C ZINC001179435466 799920384 /nfs/dbraw/zinc/92/03/84/799920384.db2.gz QTHCIPRJHMHAQV-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001183075807 801444757 /nfs/dbraw/zinc/44/47/57/801444757.db2.gz FXHLYTOAHWOEDY-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001183760354 801724171 /nfs/dbraw/zinc/72/41/71/801724171.db2.gz VQLOSFZHYQPFMG-CYBMUJFWSA-N 2 0 334.489 2.041 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549157 802351883 /nfs/dbraw/zinc/35/18/83/802351883.db2.gz UVOQQEYRXKNFDG-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001185169451 802373554 /nfs/dbraw/zinc/37/35/54/802373554.db2.gz LRIAHIGGYZWGQY-AZUAARDMSA-N 2 0 343.515 2.421 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004596529 802450260 /nfs/dbraw/zinc/45/02/60/802450260.db2.gz MWZOLOBQVOPHML-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108739367 804433989 /nfs/dbraw/zinc/43/39/89/804433989.db2.gz YYCFTYSZWXDXRN-KSZLIROESA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086619918 810645219 /nfs/dbraw/zinc/64/52/19/810645219.db2.gz OAPJKNXBMHQXFV-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001129428901 810829049 /nfs/dbraw/zinc/82/90/49/810829049.db2.gz AQSRKQFGBDRVSD-LJQANCHMSA-N 2 0 340.471 2.171 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001129842513 811005702 /nfs/dbraw/zinc/00/57/02/811005702.db2.gz ZIAQNZSHCQUEBO-KRWDZBQOSA-N 2 0 347.890 2.272 20 30 EEEDRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001441645033 1095573070 /nfs/dbraw/zinc/57/30/70/1095573070.db2.gz AWVPNMUUSLRCDV-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001441828500 1095881086 /nfs/dbraw/zinc/88/10/86/1095881086.db2.gz RXJYNXDCNHFQIK-CZUORRHYSA-N 2 0 334.489 2.041 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001496371135 1100964247 /nfs/dbraw/zinc/96/42/47/1100964247.db2.gz YINGSIWYEFOFRL-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001495667977 1101409405 /nfs/dbraw/zinc/40/94/05/1101409405.db2.gz SZXGJANBAONPLZ-TZMCWYRMSA-N 2 0 346.313 2.110 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001447635303 1103006070 /nfs/dbraw/zinc/00/60/70/1103006070.db2.gz MZRUXEPLZGEJPA-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001507425615 1115262283 /nfs/dbraw/zinc/26/22/83/1115262283.db2.gz CLNKQJUVCUBLII-CVEARBPZSA-N 2 0 327.900 2.489 20 30 EEEDRP C[C@H](CNc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C#N)[NH+](C)C ZINC000288638698 267162120 /nfs/dbraw/zinc/16/21/20/267162120.db2.gz YZPYYHOSUGQPLH-OLZOCXBDSA-N 2 0 348.451 2.190 20 30 EEEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000329265708 465284425 /nfs/dbraw/zinc/28/44/25/465284425.db2.gz FJQRBXLBXDCABW-GOEBONIOSA-N 2 0 331.464 2.050 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000066922044 462946780 /nfs/dbraw/zinc/94/67/80/462946780.db2.gz NMLQPSTUHBZNHF-XLIONFOSSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000120234773 462977055 /nfs/dbraw/zinc/97/70/55/462977055.db2.gz MNRDRRJJEUXECY-IRXDYDNUSA-N 2 0 327.472 2.289 20 30 EEEDRP C=CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262046663 463934425 /nfs/dbraw/zinc/93/44/25/463934425.db2.gz ZCPSPVMAVALJMT-HZPDHXFCSA-N 2 0 326.448 2.211 20 30 EEEDRP C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000262376437 464014495 /nfs/dbraw/zinc/01/44/95/464014495.db2.gz JPRGMHCICIQEAM-LPHOPBHVSA-N 2 0 326.488 2.409 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)cc1 ZINC000264070934 464280012 /nfs/dbraw/zinc/28/00/12/464280012.db2.gz GDDXFGRFTQGHPI-ZDUSSCGKSA-N 2 0 326.391 2.177 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174411584 464405679 /nfs/dbraw/zinc/40/56/79/464405679.db2.gz QQNSAZWLGZYZFQ-UHFFFAOYSA-N 2 0 330.476 2.398 20 30 EEEDRP C=CCNC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383423 464544247 /nfs/dbraw/zinc/54/42/47/464544247.db2.gz BOYWIDWPIWJJEO-XLIONFOSSA-N 2 0 327.472 2.275 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368236190 466589482 /nfs/dbraw/zinc/58/94/82/466589482.db2.gz RZODGBJYINLSTL-MTFMMBMASA-N 2 0 339.483 2.015 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000417063929 466768643 /nfs/dbraw/zinc/76/86/43/466768643.db2.gz OFIVDTBEQCKVRE-KZNAEPCWSA-N 2 0 336.524 2.311 20 30 EEEDRP C[C@@H](CCCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418715847 467149243 /nfs/dbraw/zinc/14/92/43/467149243.db2.gz YTDUAIVFRGLUAC-INIZCTEOSA-N 2 0 345.491 2.149 20 30 EEEDRP C=CCN1CC[C@H](N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000420302841 467345466 /nfs/dbraw/zinc/34/54/66/467345466.db2.gz CDAIUDSASLVMTQ-DLBZAZTESA-N 2 0 345.512 2.479 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113441 468144148 /nfs/dbraw/zinc/14/41/48/468144148.db2.gz ZLFIQMSZARVLCZ-MOPGFXCFSA-N 2 0 345.487 2.060 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969349567 674871091 /nfs/dbraw/zinc/87/10/91/674871091.db2.gz IZJPEDLPWMRONF-CYBMUJFWSA-N 2 0 349.232 2.047 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042903 675415258 /nfs/dbraw/zinc/41/52/58/675415258.db2.gz OXCDKEGTBGZOKZ-KURKYZTESA-N 2 0 347.890 2.275 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021094574 675719161 /nfs/dbraw/zinc/71/91/61/675719161.db2.gz UDOCMYNRBFHKKW-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001022596653 677975889 /nfs/dbraw/zinc/97/58/89/677975889.db2.gz PORZPGOOOLVWPW-UDTPNQRGSA-N 2 0 340.471 2.025 20 30 EEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401011 678685594 /nfs/dbraw/zinc/68/55/94/678685594.db2.gz GYPTWSXZNGTKFQ-OTWHNJEPSA-N 2 0 327.472 2.051 20 30 EEEDRP CSC1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC[NH+](C)CC1 ZINC000262345637 679174093 /nfs/dbraw/zinc/17/40/93/679174093.db2.gz XWTUELKABGCZCX-OAHLLOKOSA-N 2 0 348.516 2.242 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001024276998 679861355 /nfs/dbraw/zinc/86/13/55/679861355.db2.gz NMDLYOVZJKDRMG-IBGZPJMESA-N 2 0 345.531 2.350 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557508 681645116 /nfs/dbraw/zinc/64/51/16/681645116.db2.gz PHPIWVSNXFTVIA-RLLQIKCJSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247143 682315933 /nfs/dbraw/zinc/31/59/33/682315933.db2.gz IRWNMRFCCCMJNS-MOPGFXCFSA-N 2 0 336.439 2.427 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596786 683078111 /nfs/dbraw/zinc/07/81/11/683078111.db2.gz HHZRMYMXAQEUIS-JKSUJKDBSA-N 2 0 328.460 2.001 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627237 683157437 /nfs/dbraw/zinc/15/74/37/683157437.db2.gz ICXSFENOILOZQT-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033538 686084237 /nfs/dbraw/zinc/08/42/37/686084237.db2.gz DNRQEQPHDSBNCM-KSSFIOAISA-N 2 0 325.472 2.212 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979074405 694152458 /nfs/dbraw/zinc/15/24/58/694152458.db2.gz CKTNBFGXTZDQRI-LDLYASANSA-N 2 0 327.472 2.232 20 30 EEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414736 688010198 /nfs/dbraw/zinc/01/01/98/688010198.db2.gz VNEDGVFBTQDTNL-CVEARBPZSA-N 2 0 325.884 2.004 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000987328813 689607787 /nfs/dbraw/zinc/60/77/87/689607787.db2.gz LCLFHTBRRYWHEC-PBHICJAKSA-N 2 0 339.911 2.440 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001481455514 1181402578 /nfs/dbraw/zinc/40/25/78/1181402578.db2.gz AMNCNCYOCQHDQA-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413100 1186824183 /nfs/dbraw/zinc/82/41/83/1186824183.db2.gz YEYYRURGSDCBJU-FPOVZHCZSA-N 2 0 341.499 2.457 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001105427406 1186940961 /nfs/dbraw/zinc/94/09/61/1186940961.db2.gz KQBULKMVARBILT-RVWIWJKTSA-N 2 0 341.499 2.463 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001105556017 1188171859 /nfs/dbraw/zinc/17/18/59/1188171859.db2.gz ACEKAMIFQLPNQO-FHWLQOOXSA-N 2 0 345.531 2.491 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417654 1194540907 /nfs/dbraw/zinc/54/09/07/1194540907.db2.gz WVOIUGCBGPCLMC-APWZRJJASA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001033685541 1195067971 /nfs/dbraw/zinc/06/79/71/1195067971.db2.gz VKCZIOCKZNCWMQ-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404137 1196197260 /nfs/dbraw/zinc/19/72/60/1196197260.db2.gz GWQRBEGQJYWUGL-INIZCTEOSA-N 2 0 346.475 2.431 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)CC1 ZINC001034538498 1196361148 /nfs/dbraw/zinc/36/11/48/1196361148.db2.gz NDRRNBWVVISVQC-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545177 1196372302 /nfs/dbraw/zinc/37/23/02/1196372302.db2.gz ZCFLWZHONSRDOM-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001034735410 1196636478 /nfs/dbraw/zinc/63/64/78/1196636478.db2.gz GRQAXDUHRBORIL-SHTZXODSSA-N 2 0 327.900 2.488 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)CC1 ZINC001034762994 1196677984 /nfs/dbraw/zinc/67/79/84/1196677984.db2.gz FZMMUOHOFNGOMB-QAQDUYKDSA-N 2 0 337.427 2.041 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937619 1200212604 /nfs/dbraw/zinc/21/26/04/1200212604.db2.gz MFCMABSPOJRIIJ-RDJZCZTQSA-N 2 0 338.455 2.354 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(OC)c1 ZINC000136902956 1202471038 /nfs/dbraw/zinc/47/10/38/1202471038.db2.gz ZTCRTYCUZJLLNZ-MRXNPFEDSA-N 2 0 332.492 2.361 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)COCc1ccccc1 ZINC000303876276 1213917968 /nfs/dbraw/zinc/91/79/68/1213917968.db2.gz IBFWFPXRWLEZTC-WMZOPIPTSA-N 2 0 332.492 2.228 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[NH+]2CCCC2)s1 ZINC001037126585 1213945139 /nfs/dbraw/zinc/94/51/39/1213945139.db2.gz QXEUIMLLDIEYHN-PBHICJAKSA-N 2 0 346.500 2.090 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550107 1215202111 /nfs/dbraw/zinc/20/21/11/1215202111.db2.gz JXEYDPVEXULTRR-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC000957561164 1215212069 /nfs/dbraw/zinc/21/20/69/1215212069.db2.gz HLVOGPNPCNGCTJ-SFHVURJKSA-N 2 0 349.494 2.148 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568963 1215219594 /nfs/dbraw/zinc/21/95/94/1215219594.db2.gz SSHDHVHPUWDCPE-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957569169 1215219756 /nfs/dbraw/zinc/21/97/56/1215219756.db2.gz YKNTWHBNQVTMIZ-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636103 1215281260 /nfs/dbraw/zinc/28/12/60/1215281260.db2.gz YFQXOZUSROSRAI-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960273775 1216464030 /nfs/dbraw/zinc/46/40/30/1216464030.db2.gz SYVPTZXBORCPPL-CEXWTWQISA-N 2 0 327.472 2.419 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960720259 1216834293 /nfs/dbraw/zinc/83/42/93/1216834293.db2.gz SONNSPMRGLIPNB-WMLDXEAASA-N 2 0 348.516 2.383 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188718 1217077333 /nfs/dbraw/zinc/07/73/33/1217077333.db2.gz XOBBHUWEWBFTJD-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192873 1217080182 /nfs/dbraw/zinc/08/01/82/1217080182.db2.gz DBEUAZVZGIVNIM-OALUTQOASA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260103 1217115681 /nfs/dbraw/zinc/11/56/81/1217115681.db2.gz KAYWKCLSKIGQCO-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432210 1217187485 /nfs/dbraw/zinc/18/74/85/1217187485.db2.gz PNXKDCGAPLERPM-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511699 1222898398 /nfs/dbraw/zinc/89/83/98/1222898398.db2.gz YCGRWBWOTXBHOL-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016878716 1226939815 /nfs/dbraw/zinc/93/98/15/1226939815.db2.gz YPXRQAMUHKMHAZ-LJQANCHMSA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC[C@H](C)F)CC3)CC1 ZINC001016987145 1227015897 /nfs/dbraw/zinc/01/58/97/1227015897.db2.gz VSFIGOPBQIUYEK-WMZOPIPTSA-N 2 0 349.494 2.050 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020145738 1229510203 /nfs/dbraw/zinc/51/02/03/1229510203.db2.gz PKQFBASZYLGLHH-GUDVDZBRSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2ccccc2)CC1 ZINC001039041537 1230258174 /nfs/dbraw/zinc/25/81/74/1230258174.db2.gz FAWPSJTWXLOIQM-YLJYHZDGSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001039249578 1230485827 /nfs/dbraw/zinc/48/58/27/1230485827.db2.gz CDFZPKSFDVLTPB-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040232780 1231120490 /nfs/dbraw/zinc/12/04/90/1231120490.db2.gz UEGBKAAHMAUOQU-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707661 1231343515 /nfs/dbraw/zinc/34/35/15/1231343515.db2.gz GFBOTGPWLKRAMM-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040846482 1231386421 /nfs/dbraw/zinc/38/64/21/1231386421.db2.gz CAPSIRKSIBTJFX-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041288477 1231495844 /nfs/dbraw/zinc/49/58/44/1231495844.db2.gz XGABIMVQOCZTRM-GHTZIAJQSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357421 1231519007 /nfs/dbraw/zinc/51/90/07/1231519007.db2.gz HHYXRFJUQQOSPE-PZJWPPBQSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591144 1231613405 /nfs/dbraw/zinc/61/34/05/1231613405.db2.gz WHUQFIIFBYBJLD-TZIWHRDSSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778997 1231690267 /nfs/dbraw/zinc/69/02/67/1231690267.db2.gz JRPIARZTNIQNQS-NHCUHLMSSA-N 2 0 339.483 2.021 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369347 1232050790 /nfs/dbraw/zinc/05/07/90/1232050790.db2.gz WTSXGJRNHPKZIG-VQIMIIECSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042376398 1232054353 /nfs/dbraw/zinc/05/43/53/1232054353.db2.gz RJQMDCMTSLGCDG-SJLPKXTDSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045967082 1234247310 /nfs/dbraw/zinc/24/73/10/1234247310.db2.gz MUZGVRCJYNNJAZ-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046955011 1235352756 /nfs/dbraw/zinc/35/27/56/1235352756.db2.gz WPAOWBGTTGPUJB-GJZGRUSLSA-N 2 0 329.435 2.120 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243746 1235734170 /nfs/dbraw/zinc/73/41/70/1235734170.db2.gz OGXACBFERGXAHG-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186722 1240042417 /nfs/dbraw/zinc/04/24/17/1240042417.db2.gz VWNDIWFVZAXECS-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000241414 1240093628 /nfs/dbraw/zinc/09/36/28/1240093628.db2.gz RBXSGMXCLDTSDU-IRXDYDNUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC001000242127 1240093803 /nfs/dbraw/zinc/09/38/03/1240093803.db2.gz AZSXNKWZRNWBGT-QGZVFWFLSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001403624 1242205550 /nfs/dbraw/zinc/20/55/50/1242205550.db2.gz AIZQVIFSKOCUHS-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC001001473158 1242340885 /nfs/dbraw/zinc/34/08/85/1242340885.db2.gz XQOWRVNXZPNZGQ-UHFFFAOYSA-N 2 0 343.515 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC=C(C)C)CC1 ZINC001049909347 1242657537 /nfs/dbraw/zinc/65/75/37/1242657537.db2.gz ADXJDIKONQSRJC-WOJBJXKFSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919825 1242710380 /nfs/dbraw/zinc/71/03/80/1242710380.db2.gz PSHWVHKOABACKN-PMACEKPBSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050661837 1244069792 /nfs/dbraw/zinc/06/97/92/1244069792.db2.gz DIJOCFGJBMIACL-HNNXBMFYSA-N 2 0 325.884 2.148 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050730891 1244236711 /nfs/dbraw/zinc/23/67/11/1244236711.db2.gz NEMAKWFUBKTTAC-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036614 1245735668 /nfs/dbraw/zinc/73/56/68/1245735668.db2.gz NRLJOUWDRKWQAN-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001101547568 1245950968 /nfs/dbraw/zinc/95/09/68/1245950968.db2.gz HJBBWWQSFSSOKC-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001101575126 1245979434 /nfs/dbraw/zinc/97/94/34/1245979434.db2.gz USKDUUYVKIJYHD-UHFFFAOYSA-N 2 0 335.536 2.452 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)O2 ZINC001053701398 1246678403 /nfs/dbraw/zinc/67/84/03/1246678403.db2.gz USYUYMYWUMPVJN-MSOLQXFVSA-N 2 0 349.519 2.177 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254967 1246782909 /nfs/dbraw/zinc/78/29/09/1246782909.db2.gz SLFKBQUCTYAXES-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054152808 1247541295 /nfs/dbraw/zinc/54/12/95/1247541295.db2.gz IEOMNVDUMIFNJX-HXUWFJFHSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650981 1247773220 /nfs/dbraw/zinc/77/32/20/1247773220.db2.gz BZTAAMGFWWUTTI-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001071066208 1253933999 /nfs/dbraw/zinc/93/39/99/1253933999.db2.gz HBOFISLCQVZJSA-QRVBRYPASA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847312 1255429029 /nfs/dbraw/zinc/42/90/29/1255429029.db2.gz BMSCNQJBEIILLW-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073003853 1255558672 /nfs/dbraw/zinc/55/86/72/1255558672.db2.gz PRBJTNYUVAIHQT-MOPGFXCFSA-N 2 0 339.483 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C[C@@H](F)CC)C3)CC1 ZINC001099174570 1257994024 /nfs/dbraw/zinc/99/40/24/1257994024.db2.gz UNFFJQWWOQYXME-BJLQDIEVSA-N 2 0 349.494 2.050 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099496883 1258178126 /nfs/dbraw/zinc/17/81/26/1258178126.db2.gz MZVSQRKSGNPDSP-MHORFTMASA-N 2 0 333.520 2.462 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CCC)C1 ZINC001099552257 1258199958 /nfs/dbraw/zinc/19/99/58/1258199958.db2.gz KARHBJNSOCICPY-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](CC)CC ZINC001185609543 1278716667 /nfs/dbraw/zinc/71/66/67/1278716667.db2.gz KFMZXCZUFRRSBJ-RHSMWYFYSA-N 2 0 348.516 2.431 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C ZINC001185789889 1278782822 /nfs/dbraw/zinc/78/28/22/1278782822.db2.gz WFPGBPGBPMHUIZ-QUCCMNQESA-N 2 0 341.499 2.216 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001186157037 1278977026 /nfs/dbraw/zinc/97/70/26/1278977026.db2.gz SLCCFJJVSYKXPS-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052027 1287271869 /nfs/dbraw/zinc/27/18/69/1287271869.db2.gz DGFPMKRPBPZZDD-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001186489120 1279114697 /nfs/dbraw/zinc/11/46/97/1279114697.db2.gz WBQFTSSGBUHCPS-QGZVFWFLSA-N 2 0 347.890 2.224 20 30 EEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946584 1281721329 /nfs/dbraw/zinc/72/13/29/1281721329.db2.gz DQCGVRSTROEYLG-MOPGFXCFSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946354 1281721414 /nfs/dbraw/zinc/72/14/14/1281721414.db2.gz AWGVFMDDGWXNPO-MOPGFXCFSA-N 2 0 331.504 2.340 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001192190889 1281848389 /nfs/dbraw/zinc/84/83/89/1281848389.db2.gz VCWZLZPVWXAFBQ-VQTJNVASSA-N 2 0 341.499 2.157 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193569437 1282566290 /nfs/dbraw/zinc/56/62/90/1282566290.db2.gz BTTKAMRKCIWCTC-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCC)C2)CC1 ZINC001194246897 1282956303 /nfs/dbraw/zinc/95/63/03/1282956303.db2.gz SMMYKQYEHPJRIC-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277670 1289439284 /nfs/dbraw/zinc/43/92/84/1289439284.db2.gz XDNBSTCGKSEVPV-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973987 1295058140 /nfs/dbraw/zinc/05/81/40/1295058140.db2.gz JTMZOOCJTOAKGP-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526832 1296072952 /nfs/dbraw/zinc/07/29/52/1296072952.db2.gz XCOQVQJMINBNOZ-KZNAEPCWSA-N 2 0 337.508 2.031 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648963 1298487187 /nfs/dbraw/zinc/48/71/87/1298487187.db2.gz PFDIQPXYYCNNBX-SFHVURJKSA-N 2 0 344.503 2.176 20 30 EEEDRP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001221373137 1298793780 /nfs/dbraw/zinc/79/37/80/1298793780.db2.gz FPYBCDFSQCWQJE-MSOLQXFVSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C(F)(F)F ZINC001099279617 1298997393 /nfs/dbraw/zinc/99/73/93/1298997393.db2.gz NGUSLLCOAMEMKC-ZIAGYGMSSA-N 2 0 338.333 2.113 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539235 1299197958 /nfs/dbraw/zinc/19/79/58/1299197958.db2.gz ZOMOCZBEPDHLFA-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001276858989 1299963222 /nfs/dbraw/zinc/96/32/22/1299963222.db2.gz UXFDAQMYZDVMGR-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001223596996 1300188049 /nfs/dbraw/zinc/18/80/49/1300188049.db2.gz GLZAIEDSJRHGAY-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001224253593 1300511041 /nfs/dbraw/zinc/51/10/41/1300511041.db2.gz NEGXTEIZRZDYPY-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCCCCC[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225163218 1300918644 /nfs/dbraw/zinc/91/86/44/1300918644.db2.gz VNBOPRSIIKKLKO-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372560 1300951708 /nfs/dbraw/zinc/95/17/08/1300951708.db2.gz JJOWYYKESLNKBJ-GPMSIDNRSA-N 2 0 339.499 2.459 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430402 1301030597 /nfs/dbraw/zinc/03/05/97/1301030597.db2.gz PEDUTXCJGXOAIQ-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CCC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001229222623 1302682628 /nfs/dbraw/zinc/68/26/28/1302682628.db2.gz DDEDEFPFLCBZAI-UHFFFAOYSA-N 2 0 329.488 2.318 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103436481 1302959228 /nfs/dbraw/zinc/95/92/28/1302959228.db2.gz ZXLQEBZFRULKPI-IIAWOOMASA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230605200 1303311995 /nfs/dbraw/zinc/31/19/95/1303311995.db2.gz NBNGNMUKSWPERA-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP COCC[N@H+](C)Cc1ccnc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240345997 1309308538 /nfs/dbraw/zinc/30/85/38/1309308538.db2.gz BJNJXYVJRJMSTA-UHFFFAOYSA-N 2 0 336.439 2.385 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001121189514 1309946703 /nfs/dbraw/zinc/94/67/03/1309946703.db2.gz QDIDNNRYSUNCOA-UKEPKTAJSA-N 2 0 345.890 2.436 20 30 EEEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001150451913 1316267422 /nfs/dbraw/zinc/26/74/22/1316267422.db2.gz BVVWZNGPYZFYNS-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714958 1316352076 /nfs/dbraw/zinc/35/20/76/1316352076.db2.gz IWNCWRJCDUSFES-GOSISDBHSA-N 2 0 339.524 2.260 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152147367 1316638334 /nfs/dbraw/zinc/63/83/34/1316638334.db2.gz MLHKZEGYJUYNRX-HOTGVXAUSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001153998343 1316933022 /nfs/dbraw/zinc/93/30/22/1316933022.db2.gz PMAZCSLHKFCERE-RDTXWAMCSA-N 2 0 348.466 2.364 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374571 1317984649 /nfs/dbraw/zinc/98/46/49/1317984649.db2.gz SUXNLZUMKDBGMV-UYAOXDASSA-N 2 0 341.499 2.207 20 30 EEEDRP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001158397804 1319219050 /nfs/dbraw/zinc/21/90/50/1319219050.db2.gz PULLCJQJUJNGOZ-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001159328626 1319742238 /nfs/dbraw/zinc/74/22/38/1319742238.db2.gz UUTDJIVFOXMFLQ-IBGZPJMESA-N 2 0 345.462 2.148 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131479 1320079438 /nfs/dbraw/zinc/07/94/38/1320079438.db2.gz NGNOQMBOYRQIAT-RTBURBONSA-N 2 0 329.488 2.023 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567645 1320200790 /nfs/dbraw/zinc/20/07/90/1320200790.db2.gz HYZJNWPZGHKPJX-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804197 1320274050 /nfs/dbraw/zinc/27/40/50/1320274050.db2.gz DWXHYSKWCWVLKD-UHFFFAOYSA-N 2 0 331.504 2.413 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161694629 1320590457 /nfs/dbraw/zinc/59/04/57/1320590457.db2.gz QEYCMSUPTOKASJ-UHFFFAOYSA-N 2 0 343.515 2.270 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](CC)CC ZINC001162928065 1320989708 /nfs/dbraw/zinc/98/97/08/1320989708.db2.gz CPZKISHGBZOJGJ-FQEVSTJZSA-N 2 0 343.515 2.401 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001166627412 1321753785 /nfs/dbraw/zinc/75/37/85/1321753785.db2.gz VBYFYSSVYLNAEY-INIZCTEOSA-N 2 0 347.890 2.272 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588448 1321917981 /nfs/dbraw/zinc/91/79/81/1321917981.db2.gz NLRJSMPMQCPUAC-OALUTQOASA-N 2 0 343.515 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC)C23CCC3)CC1 ZINC001203769902 1321956851 /nfs/dbraw/zinc/95/68/51/1321956851.db2.gz CKVNNFLDGLOHEO-ROUUACIJSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC/C=C/CC)CC2)CC1 ZINC001203869526 1321979011 /nfs/dbraw/zinc/97/90/11/1321979011.db2.gz JXPILENOABOKPR-AATRIKPKSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678244 1323240027 /nfs/dbraw/zinc/24/00/27/1323240027.db2.gz BCESOGBXRMMDTI-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206079281 1323388199 /nfs/dbraw/zinc/38/81/99/1323388199.db2.gz AHSIUMJWYLRZSM-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001276492962 1323597554 /nfs/dbraw/zinc/59/75/54/1323597554.db2.gz DGQVYICMHFSSFJ-UHFFFAOYSA-N 2 0 342.487 2.113 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951227 1323738085 /nfs/dbraw/zinc/73/80/85/1323738085.db2.gz FXWPUAHYFUNBRH-UHFFFAOYSA-N 2 0 327.900 2.443 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001208340803 1324436372 /nfs/dbraw/zinc/43/63/72/1324436372.db2.gz QJIZCJYKEVGFMR-IBGZPJMESA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718849 1324637308 /nfs/dbraw/zinc/63/73/08/1324637308.db2.gz RRYYTKKSRIRRJQ-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCO1 ZINC001200858712 1338690756 /nfs/dbraw/zinc/69/07/56/1338690756.db2.gz IBXPUIDJJJKUGI-QGZVFWFLSA-N 2 0 337.508 2.033 20 30 EEEDRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875632 1344312585 /nfs/dbraw/zinc/31/25/85/1344312585.db2.gz SPWGCEPYZVJPJP-CABCVRRESA-N 2 0 327.428 2.166 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544558 1367620229 /nfs/dbraw/zinc/62/02/29/1367620229.db2.gz XPSPOEPGVCEOER-QRVBRYPASA-N 2 0 335.536 2.450 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001121469112 1371885161 /nfs/dbraw/zinc/88/51/61/1371885161.db2.gz QGXPSGLRLLOKTM-UHFFFAOYSA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001389526126 1388171152 /nfs/dbraw/zinc/17/11/52/1388171152.db2.gz IYAGTJJGPCJJDG-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443280 1373899844 /nfs/dbraw/zinc/89/98/44/1373899844.db2.gz XYWJHXOKXKGQRB-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001370219694 1374846790 /nfs/dbraw/zinc/84/67/90/1374846790.db2.gz XDNOUNHLYMZHNK-RBUKOAKNSA-N 2 0 342.487 2.129 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2C#N)CC1 ZINC001376827240 1378781132 /nfs/dbraw/zinc/78/11/32/1378781132.db2.gz FTBQLEYGHRTGSV-MRXNPFEDSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001391364700 1389317061 /nfs/dbraw/zinc/31/70/61/1389317061.db2.gz WQHVSBKQIULNJJ-OAHLLOKOSA-N 2 0 325.884 2.148 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392231709 1389914226 /nfs/dbraw/zinc/91/42/26/1389914226.db2.gz ILBWWDPTVXIAGL-QGZVFWFLSA-N 2 0 348.516 2.192 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001403357197 1399782849 /nfs/dbraw/zinc/78/28/49/1399782849.db2.gz RWOPHZHRKZGARL-KXBFYZLASA-N 2 0 342.487 2.081 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001403357195 1399783195 /nfs/dbraw/zinc/78/31/95/1399783195.db2.gz RWOPHZHRKZGARL-HNAYVOBHSA-N 2 0 342.487 2.081 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001425914299 1401800724 /nfs/dbraw/zinc/80/07/24/1401800724.db2.gz LWUJNSJALGRZCT-ZIAGYGMSSA-N 2 0 334.489 2.041 20 30 EEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC001574849893 1403526743 /nfs/dbraw/zinc/52/67/43/1403526743.db2.gz RWIHCFBKEXPLMN-UHFFFAOYSA-N 2 0 343.471 2.038 20 30 EEEDRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600231 1403589584 /nfs/dbraw/zinc/58/95/84/1403589584.db2.gz ZKEYQTOMTMLXQZ-XLIONFOSSA-N 2 0 326.488 2.454 20 30 EEEDRP C=C(C)C[NH2+]CCCOC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755345997 1407345419 /nfs/dbraw/zinc/34/54/19/1407345419.db2.gz MGFHZHXFLHXGSH-UHFFFAOYSA-N 2 0 349.519 2.178 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001755618349 1407686340 /nfs/dbraw/zinc/68/63/40/1407686340.db2.gz KHACPDCDWOQTLI-HNNXBMFYSA-N 2 0 347.528 2.338 20 30 EEEDRP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001755722595 1407782690 /nfs/dbraw/zinc/78/26/90/1407782690.db2.gz JAXIYEDXSUCRGF-IHPCNDPISA-N 2 0 341.499 2.057 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730145 1411044171 /nfs/dbraw/zinc/04/41/71/1411044171.db2.gz DDHNBQPZZDEOPD-HIFRSBDPSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439739 782354617 /nfs/dbraw/zinc/35/46/17/782354617.db2.gz UEHQZVXFBQERCL-HKUYNNGSSA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167096210 757286948 /nfs/dbraw/zinc/28/69/48/757286948.db2.gz WRARMGIQPHAZPB-MOPGFXCFSA-N 2 0 329.488 2.394 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104290508 758124862 /nfs/dbraw/zinc/12/48/62/758124862.db2.gz AWYQFHXJBQGGEO-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210789667 758129843 /nfs/dbraw/zinc/12/98/43/758129843.db2.gz QERCGUMOVJXVAL-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104368721 759836946 /nfs/dbraw/zinc/83/69/46/759836946.db2.gz IPZGEBHAKAHCDT-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001087304134 761545410 /nfs/dbraw/zinc/54/54/10/761545410.db2.gz XUPLIKWEXFCZSN-NZSAHSFTSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982503 782689238 /nfs/dbraw/zinc/68/92/38/782689238.db2.gz JTAHTWYWIKSGLY-WBVHZDCISA-N 2 0 345.512 2.227 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089646839 773683642 /nfs/dbraw/zinc/68/36/42/773683642.db2.gz QDQXRYIYZAWNCE-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089869545 783131233 /nfs/dbraw/zinc/13/12/33/783131233.db2.gz LWLVDOBCAVZYKP-RDGPPVDQSA-N 2 0 331.504 2.073 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138968 773928809 /nfs/dbraw/zinc/92/88/09/773928809.db2.gz IEDJFCXNNLKGFE-OKZBNKHCSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258518 774203779 /nfs/dbraw/zinc/20/37/79/774203779.db2.gz WJJXBNWMCSUSBI-SLFFLAALSA-N 2 0 343.515 2.124 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683927 774308415 /nfs/dbraw/zinc/30/84/15/774308415.db2.gz KMUFXIQBSKIEMO-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531168 774571803 /nfs/dbraw/zinc/57/18/03/774571803.db2.gz JKUPJHUWZOVKGO-ZOBUZTSGSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001089805936 775956205 /nfs/dbraw/zinc/95/62/05/775956205.db2.gz MFJINDDJYJEBFR-VJANTYMQSA-N 2 0 343.515 2.053 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001089839006 777493386 /nfs/dbraw/zinc/49/33/86/777493386.db2.gz ODKHQMOHBJCDFV-KNTRFNDTSA-N 2 0 348.450 2.140 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236890269 779944627 /nfs/dbraw/zinc/94/46/27/779944627.db2.gz OFNPNUXYBNHKGN-IRXDYDNUSA-N 2 0 330.476 2.093 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032540117 790823074 /nfs/dbraw/zinc/82/30/74/790823074.db2.gz RDMOSVVRPDMOFC-ROUUACIJSA-N 2 0 327.472 2.266 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860220 790871944 /nfs/dbraw/zinc/87/19/44/790871944.db2.gz ADIDCTHAUGJHIF-VKJFTORMSA-N 2 0 325.472 2.354 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327205 783517430 /nfs/dbraw/zinc/51/74/30/783517430.db2.gz IALYCZZPQRARGC-CVEARBPZSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391906 783687499 /nfs/dbraw/zinc/68/74/99/783687499.db2.gz WBWNZELLUSVSRC-OLZOCXBDSA-N 2 0 346.313 2.110 20 30 EEEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@]13CC[NH+](C1)CCC3)CC2 ZINC001035250681 784198753 /nfs/dbraw/zinc/19/87/53/784198753.db2.gz SEWWYFXACFENOD-FQEVSTJZSA-N 2 0 331.504 2.363 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980921 784907555 /nfs/dbraw/zinc/90/75/55/784907555.db2.gz UXGPNSBFDXHKSR-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914958 785838042 /nfs/dbraw/zinc/83/80/42/785838042.db2.gz NAVVQRPKODDGAF-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC000996696900 787174457 /nfs/dbraw/zinc/17/44/57/787174457.db2.gz DNMJLGJPWVHKJP-KRWDZBQOSA-N 2 0 331.460 2.195 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107425567 787203599 /nfs/dbraw/zinc/20/35/99/787203599.db2.gz CGXWEIDIKXJTEK-LZLYRXPVSA-N 2 0 325.472 2.213 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550702 787580251 /nfs/dbraw/zinc/58/02/51/787580251.db2.gz JMKCVCHKGBIXOR-YLJYHZDGSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579318 787734700 /nfs/dbraw/zinc/73/47/00/787734700.db2.gz COXPNBRFBKRACL-QWFCFKBJSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846120 788593379 /nfs/dbraw/zinc/59/33/79/788593379.db2.gz QCRVEYAPXFKJCW-BGYRXZFFSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941775 789559071 /nfs/dbraw/zinc/55/90/71/789559071.db2.gz NFGOFVSMWPQAAW-PKOBYXMFSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592998 791361565 /nfs/dbraw/zinc/36/15/65/791361565.db2.gz LPYPIMSQGRRZGY-LSDHHAIUSA-N 2 0 348.466 2.410 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000998044345 791880612 /nfs/dbraw/zinc/88/06/12/791880612.db2.gz GQFGWHISBYSEJT-MSOLQXFVSA-N 2 0 342.487 2.172 20 30 EEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292677 792332335 /nfs/dbraw/zinc/33/23/35/792332335.db2.gz POVNESHCRHLPEE-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998270676 792411683 /nfs/dbraw/zinc/41/16/83/792411683.db2.gz VGNBLPQGUDFPOO-HUUCEWRRSA-N 2 0 347.425 2.416 20 30 EEEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(OC(C)C)c(C#N)c1 ZINC001148779004 792675426 /nfs/dbraw/zinc/67/54/26/792675426.db2.gz FLYYEKYJLXGSHR-UHFFFAOYSA-N 2 0 345.447 2.023 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190770 793653526 /nfs/dbraw/zinc/65/35/26/793653526.db2.gz WYXADADVAFNSSK-DYXWJJEUSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092910031 794429737 /nfs/dbraw/zinc/42/97/37/794429737.db2.gz PSRSGPKKNGPVQZ-SYAUCNOPSA-N 2 0 327.900 2.153 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001079287034 794556533 /nfs/dbraw/zinc/55/65/33/794556533.db2.gz LEKYPNIGZBEMDA-UHOSZYNNSA-N 2 0 345.462 2.380 20 30 EEEDRP C=CCN1CCC([NH2+]Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC000921703402 795496190 /nfs/dbraw/zinc/49/61/90/795496190.db2.gz VNWQEQKOHWZAGF-HNNXBMFYSA-N 2 0 332.444 2.367 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434045 796227336 /nfs/dbraw/zinc/22/73/36/796227336.db2.gz OPCCFELOSOHOOR-SFHLNBCPSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089967830 796302466 /nfs/dbraw/zinc/30/24/66/796302466.db2.gz HYPLZQUZXIVDMS-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902918 796441565 /nfs/dbraw/zinc/44/15/65/796441565.db2.gz SCARNJQWTCNXHU-WOJBJXKFSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C12CCC2 ZINC001078678519 796836678 /nfs/dbraw/zinc/83/66/78/796836678.db2.gz WAUGIQDOVUGLIA-IRXDYDNUSA-N 2 0 337.427 2.084 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563800 806574970 /nfs/dbraw/zinc/57/49/70/806574970.db2.gz OOOYMSLABWHDPP-BQFCYCMXSA-N 2 0 339.911 2.299 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994490634 798084056 /nfs/dbraw/zinc/08/40/56/798084056.db2.gz WCZVMRWUMGUWSK-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383407 798284023 /nfs/dbraw/zinc/28/40/23/798284023.db2.gz YGEIACDHXHOSEF-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563776 798497345 /nfs/dbraw/zinc/49/73/45/798497345.db2.gz HGUCJLMSKIUAKW-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC2=CCCCC2)CC1 ZINC001176926547 798631090 /nfs/dbraw/zinc/63/10/90/798631090.db2.gz PFRCMDBXWZLZBP-UHFFFAOYSA-N 2 0 331.504 2.318 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001176997746 798687133 /nfs/dbraw/zinc/68/71/33/798687133.db2.gz ZMKCLKRXCCKZQW-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001177319968 798858440 /nfs/dbraw/zinc/85/84/40/798858440.db2.gz VFNOISZAKWJLMY-HXUWFJFHSA-N 2 0 345.531 2.350 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495309 799155625 /nfs/dbraw/zinc/15/56/25/799155625.db2.gz BSHPNAMPNBSICC-IAGOWNOFSA-N 2 0 337.508 2.031 20 30 EEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001179620365 800026437 /nfs/dbraw/zinc/02/64/37/800026437.db2.gz MEGAGDKSFKRAJC-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085307348 800342886 /nfs/dbraw/zinc/34/28/86/800342886.db2.gz SIBHAUMCOZAYEQ-GUDVDZBRSA-N 2 0 331.504 2.434 20 30 EEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001181641176 800846847 /nfs/dbraw/zinc/84/68/47/800846847.db2.gz NWWMRGFRDDLNFT-SOLBZPMBSA-N 2 0 327.488 2.317 20 30 EEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001181640793 800846990 /nfs/dbraw/zinc/84/69/90/800846990.db2.gz CJXPRHOJWAASAG-JFIYKMOQSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781866 801245015 /nfs/dbraw/zinc/24/50/15/801245015.db2.gz HHLMMHZJHRZKMQ-RBUKOAKNSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182807849 801357239 /nfs/dbraw/zinc/35/72/39/801357239.db2.gz YWQOLLBIKRGXFW-QWFCFKBJSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591109 801597196 /nfs/dbraw/zinc/59/71/96/801597196.db2.gz OCTFONDJIIKIAP-ZSYWTGECSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004523616 802286967 /nfs/dbraw/zinc/28/69/67/802286967.db2.gz SMBQXNPWQDGCJP-WDSOQIARSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001086278126 802659598 /nfs/dbraw/zinc/65/95/98/802659598.db2.gz ISCZVICCSRARGS-MAEOIBBWSA-N 2 0 345.512 2.078 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729173 802916022 /nfs/dbraw/zinc/91/60/22/802916022.db2.gz VYANSIMEJMICRQ-ZCNNSNEGSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419979 803511219 /nfs/dbraw/zinc/51/12/19/803511219.db2.gz UTGNUCHWHFIRAD-HXUWFJFHSA-N 2 0 345.487 2.145 20 30 EEEDRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001130615880 811859247 /nfs/dbraw/zinc/85/92/47/811859247.db2.gz UQPNSSOFDKKZOH-UHFFFAOYSA-N 2 0 348.516 2.479 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130711624 811960224 /nfs/dbraw/zinc/96/02/24/811960224.db2.gz YHTCJXOIWWOMEC-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001441744417 1095735266 /nfs/dbraw/zinc/73/52/66/1095735266.db2.gz YELCINBOMICJME-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857319 1097250413 /nfs/dbraw/zinc/25/04/13/1097250413.db2.gz AAVSDHLLEANWMZ-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310467 1098869036 /nfs/dbraw/zinc/86/90/36/1098869036.db2.gz PXTJRQPWPJPYES-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCC2)CC[N@@H+]1C ZINC001447199341 1102187565 /nfs/dbraw/zinc/18/75/65/1102187565.db2.gz OJYFFYNIMRKSCF-CRAIPNDOSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081020 1113192242 /nfs/dbraw/zinc/19/22/42/1113192242.db2.gz XEUSWRGJABMALU-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285023301 267180121 /nfs/dbraw/zinc/18/01/21/267180121.db2.gz HDOOJNAOFPOIDI-AQXGTKIOSA-N 2 0 340.471 2.292 20 30 EEEDRP C[N@H+](CCN1CC[NH+](CCCSCC#N)CC1)Cc1ccccc1 ZINC000074990567 462663806 /nfs/dbraw/zinc/66/38/06/462663806.db2.gz KAJGGPLRCBEPFM-UHFFFAOYSA-N 2 0 346.544 2.383 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903874 464007816 /nfs/dbraw/zinc/00/78/16/464007816.db2.gz PSDOLVUSVVRCIU-APWZRJJASA-N 2 0 346.519 2.295 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903856 464008362 /nfs/dbraw/zinc/00/83/62/464008362.db2.gz PSDOLVUSVVRCIU-VQIMIIECSA-N 2 0 346.519 2.295 20 30 EEEDRP C[C@@H](CNc1ccc(C#N)c(NC[C@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000291847776 464160390 /nfs/dbraw/zinc/16/03/90/464160390.db2.gz MEPQYJXOIBRSQM-GJZGRUSLSA-N 2 0 332.496 2.172 20 30 EEEDRP CCCCNC(=[NH2+])NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000264080907 464281405 /nfs/dbraw/zinc/28/14/05/464281405.db2.gz HHHZCLVWMAEDPV-UHFFFAOYSA-N 2 0 331.508 2.029 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000371596259 465894000 /nfs/dbraw/zinc/89/40/00/465894000.db2.gz FUCBMHHOSFJCJO-QGZVFWFLSA-N 2 0 334.508 2.343 20 30 EEEDRP CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000597212701 468481423 /nfs/dbraw/zinc/48/14/23/468481423.db2.gz AEIVBMDQYRNULX-SFHVURJKSA-N 2 0 346.519 2.477 20 30 EEEDRP CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372605156 466501649 /nfs/dbraw/zinc/50/16/49/466501649.db2.gz FLVQCQVVCUNHBK-KRWDZBQOSA-N 2 0 343.431 2.071 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000424193611 467000652 /nfs/dbraw/zinc/00/06/52/467000652.db2.gz QYBFTJIOZIFQBN-LJQANCHMSA-N 2 0 342.487 2.175 20 30 EEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530231630 467966405 /nfs/dbraw/zinc/96/64/05/467966405.db2.gz SBSHXDQBUCPSPQ-SFHVURJKSA-N 2 0 331.460 2.008 20 30 EEEDRP Cc1cc(NCC[C@H](C)[NH+](C)C)c(C#N)c(NCC[C@H](C)[NH+](C)C)n1 ZINC000596431824 469264734 /nfs/dbraw/zinc/26/47/34/469264734.db2.gz NHDXOWDOHMEIPD-HOTGVXAUSA-N 2 0 346.523 2.766 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000603119880 469271871 /nfs/dbraw/zinc/27/18/71/469271871.db2.gz NFEVCXQFWPPRTC-LJQANCHMSA-N 2 0 345.487 2.496 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000377208348 526926558 /nfs/dbraw/zinc/92/65/58/526926558.db2.gz JTDWSALZBALLFN-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564057 535803704 /nfs/dbraw/zinc/80/37/04/535803704.db2.gz UNJCKZJPDWCNGC-QZTJIDSGSA-N 2 0 328.460 2.186 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204980 676087648 /nfs/dbraw/zinc/08/76/48/676087648.db2.gz JGOBMPMTXWITAH-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)s1 ZINC000970787917 676152313 /nfs/dbraw/zinc/15/23/13/676152313.db2.gz GQFVLNMADHEJSI-OAHLLOKOSA-N 2 0 346.500 2.186 20 30 EEEDRP CN(Cc1ccccc1C#N)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686873 676740449 /nfs/dbraw/zinc/74/04/49/676740449.db2.gz GXVVWFRDPGWBEM-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158112531 678332121 /nfs/dbraw/zinc/33/21/21/678332121.db2.gz PACWDVJXSUEUSC-LNLFQRSKSA-N 2 0 336.524 2.185 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365461 679883046 /nfs/dbraw/zinc/88/30/46/679883046.db2.gz AXZCUVYVZKAQNG-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001026886317 685261399 /nfs/dbraw/zinc/26/13/99/685261399.db2.gz VGEMQRNESLLIEL-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833138 681355372 /nfs/dbraw/zinc/35/53/72/681355372.db2.gz CTRPOSKJOFALOW-RLLQIKCJSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725886 682111082 /nfs/dbraw/zinc/11/10/82/682111082.db2.gz PJYNBSRMOUZVPR-JYRKZWEQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CC)CC1 ZINC001025300351 682413118 /nfs/dbraw/zinc/41/31/18/682413118.db2.gz CJAYOMYFCPQVRH-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC(C)[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CC[NH+](C)CC1 ZINC000236697578 684900232 /nfs/dbraw/zinc/90/02/32/684900232.db2.gz VVLYRKVKASYOJJ-YLJYHZDGSA-N 2 0 344.503 2.339 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598444 685113554 /nfs/dbraw/zinc/11/35/54/685113554.db2.gz CIWFKVCTKWATSD-MJGOQNOKSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262477434 686279123 /nfs/dbraw/zinc/27/91/23/686279123.db2.gz ZZKRUHIRGROIQG-GVDBMIGSSA-N 2 0 334.508 2.005 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000985469493 686957908 /nfs/dbraw/zinc/95/79/08/686957908.db2.gz FFYCSROIXGPXEY-LJQANCHMSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985653263 687397458 /nfs/dbraw/zinc/39/74/58/687397458.db2.gz KGDLNXVJYBDQQA-SFHVURJKSA-N 2 0 325.472 2.308 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833770 688989271 /nfs/dbraw/zinc/98/92/71/688989271.db2.gz ZSCBTKKTUBVSAY-CXAGYDPISA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3)[C@H]2C)CC1 ZINC000987575409 689838448 /nfs/dbraw/zinc/83/84/48/689838448.db2.gz JSOLRDZHANHBEB-XLIONFOSSA-N 2 0 339.483 2.111 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518900 1192328797 /nfs/dbraw/zinc/32/87/97/1192328797.db2.gz UDULCCUNQKWLSU-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001752056390 1179118742 /nfs/dbraw/zinc/11/87/42/1179118742.db2.gz QWLNNAVOHLBIAJ-UHFFFAOYSA-N 2 0 335.879 2.081 20 30 EEEDRP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001754639126 1179126975 /nfs/dbraw/zinc/12/69/75/1179126975.db2.gz WSIUXVIKJRPTIG-UHFFFAOYSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088382292 1186754794 /nfs/dbraw/zinc/75/47/94/1186754794.db2.gz YMPWNRLCYYXVLN-GOEBONIOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604325 1189034576 /nfs/dbraw/zinc/03/45/76/1189034576.db2.gz YKJDRQNMEPMCIG-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP CCCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272479189 1190843773 /nfs/dbraw/zinc/84/37/73/1190843773.db2.gz ZHZZOKJDZZUTCZ-IBGZPJMESA-N 2 0 337.508 2.360 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001484728011 1191487470 /nfs/dbraw/zinc/48/74/70/1191487470.db2.gz XPAXGMVPDCWQPB-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128101 1194411294 /nfs/dbraw/zinc/41/12/94/1194411294.db2.gz NKXPAJYNVFDSDP-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700268 1195092725 /nfs/dbraw/zinc/09/27/25/1195092725.db2.gz VPEDLAMXTKTATE-MRXNPFEDSA-N 2 0 331.460 2.291 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478570 1196268329 /nfs/dbraw/zinc/26/83/29/1196268329.db2.gz LUZBDPWSQATAEB-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001034972637 1196929981 /nfs/dbraw/zinc/92/99/81/1196929981.db2.gz GUNUMWNQJYDBET-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519200 1199804471 /nfs/dbraw/zinc/80/44/71/1199804471.db2.gz VAXOGHLRVSCLOM-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001132886960 1200153280 /nfs/dbraw/zinc/15/32/80/1200153280.db2.gz XULVHQNWIVWHFS-RDJZCZTQSA-N 2 0 347.890 2.128 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213725 1200600606 /nfs/dbraw/zinc/60/06/06/1200600606.db2.gz RSBHKUVOZVMOEK-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](CC)CC ZINC001133685223 1201198284 /nfs/dbraw/zinc/19/82/84/1201198284.db2.gz QWVDLEMWAWOJCQ-KRWDZBQOSA-N 2 0 334.439 2.024 20 30 EEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001274959463 1205220704 /nfs/dbraw/zinc/22/07/04/1205220704.db2.gz XDTYSUBHRBZNKD-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP Cc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275374381 1205327569 /nfs/dbraw/zinc/32/75/69/1205327569.db2.gz XJRPWPPSOMWXSO-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098189008 1205767204 /nfs/dbraw/zinc/76/72/04/1205767204.db2.gz LMVLITQWDMIFBE-QRVBRYPASA-N 2 0 331.504 2.406 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC000948039699 1208835696 /nfs/dbraw/zinc/83/56/96/1208835696.db2.gz JWHOXYZXDVDANX-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000948825624 1209403882 /nfs/dbraw/zinc/40/38/82/1209403882.db2.gz JJLNIPKNUXXTOW-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP C[NH+]1CCC(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000303874430 1213917132 /nfs/dbraw/zinc/91/71/32/1213917132.db2.gz HEIYUJQNXIETCW-UHFFFAOYSA-N 2 0 349.910 2.119 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000303897868 1213922522 /nfs/dbraw/zinc/92/25/22/1213922522.db2.gz VFQUQEZMMAGRNL-MRXNPFEDSA-N 2 0 347.507 2.084 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593229 1215238907 /nfs/dbraw/zinc/23/89/07/1215238907.db2.gz OSDVSFOQTCTDFN-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621053 1215264365 /nfs/dbraw/zinc/26/43/65/1215264365.db2.gz VJUVIGSDYMWOMJ-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC000957776721 1215421854 /nfs/dbraw/zinc/42/18/54/1215421854.db2.gz QHRNHCANUYOFHT-UHFFFAOYSA-N 2 0 343.515 2.366 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001114835989 1215697387 /nfs/dbraw/zinc/69/73/87/1215697387.db2.gz VPLRYARYXYHFNE-PASDCYSWSA-N 2 0 337.483 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000960292175 1216476849 /nfs/dbraw/zinc/47/68/49/1216476849.db2.gz UEYNFUGWEDFBFW-AQNXPRMDSA-N 2 0 339.483 2.419 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202028 1217086568 /nfs/dbraw/zinc/08/65/68/1217086568.db2.gz PGSFFGSJSWWWIZ-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961248302 1217108460 /nfs/dbraw/zinc/10/84/60/1217108460.db2.gz DQBDPTWKFWVGEA-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292528 1217131832 /nfs/dbraw/zinc/13/18/32/1217131832.db2.gz JQFXRFVZGDWJBF-VQTJNVASSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375766 1217164118 /nfs/dbraw/zinc/16/41/18/1217164118.db2.gz QIFIWCDQYZHTLH-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364963 1217561242 /nfs/dbraw/zinc/56/12/42/1217561242.db2.gz DRMMHQFAPWFQKF-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC000963428009 1217621984 /nfs/dbraw/zinc/62/19/84/1217621984.db2.gz JHLAQQCEYXPOSB-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326763 1221210820 /nfs/dbraw/zinc/21/08/20/1221210820.db2.gz IOSUZJSHZIZACM-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913637 1221665021 /nfs/dbraw/zinc/66/50/21/1221665021.db2.gz IKJXWBILDHBOBL-GOSISDBHSA-N 2 0 331.504 2.247 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965852 1221704195 /nfs/dbraw/zinc/70/41/95/1221704195.db2.gz ZXQHJWAOQZVJSU-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016620950 1226694401 /nfs/dbraw/zinc/69/44/01/1226694401.db2.gz NNTQUGXMHRRGIX-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016930988 1226979005 /nfs/dbraw/zinc/97/90/05/1226979005.db2.gz OLMSXPSTSHEBFH-GJZGRUSLSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CCC2CC2)CC3)CC1 ZINC001016987150 1227016121 /nfs/dbraw/zinc/01/61/21/1227016121.db2.gz WEKICRNLJLDVQN-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001018873336 1228475777 /nfs/dbraw/zinc/47/57/77/1228475777.db2.gz OUNBGBPZHTZVGF-RRQGHBQHSA-N 2 0 346.500 2.041 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018990182 1228610556 /nfs/dbraw/zinc/61/05/56/1228610556.db2.gz FHEAWGURJMVKPH-LSDHHAIUSA-N 2 0 346.500 2.185 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001019820353 1229362538 /nfs/dbraw/zinc/36/25/38/1229362538.db2.gz HDDZPMGXTUTZDG-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020250870 1229582978 /nfs/dbraw/zinc/58/29/78/1229582978.db2.gz VGTHLZZJZIDGRR-FHWLQOOXSA-N 2 0 343.515 2.291 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139880 1230354101 /nfs/dbraw/zinc/35/41/01/1230354101.db2.gz MCZLZYNJEFUARS-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239786 1230473547 /nfs/dbraw/zinc/47/35/47/1230473547.db2.gz SGZOSDDJBKEUPI-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542716 1231284217 /nfs/dbraw/zinc/28/42/17/1231284217.db2.gz CUPQBRMGNNBEKB-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699695 1231340161 /nfs/dbraw/zinc/34/01/61/1231340161.db2.gz DEWQQHFBNSEVIU-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942843 1234201910 /nfs/dbraw/zinc/20/19/10/1234201910.db2.gz BEIHJXMOMTVGCD-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945208 1234206189 /nfs/dbraw/zinc/20/61/89/1234206189.db2.gz ORTNXCXQCYMVMA-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045947595 1234209864 /nfs/dbraw/zinc/20/98/64/1234209864.db2.gz MVVGBCQIZYDDGK-HXUWFJFHSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001046849217 1235246289 /nfs/dbraw/zinc/24/62/89/1235246289.db2.gz CPQXOCUJZPDSJO-NRFANRHFSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CC1 ZINC001047209721 1235673382 /nfs/dbraw/zinc/67/33/82/1235673382.db2.gz WOAVDUZUIOLHSI-NWWYLMPXSA-N 2 0 349.906 2.053 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC001047246953 1235742727 /nfs/dbraw/zinc/74/27/27/1235742727.db2.gz CLDDQDNYAODTSK-SFHVURJKSA-N 2 0 330.476 2.410 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047255593 1235758702 /nfs/dbraw/zinc/75/87/02/1235758702.db2.gz BGASKGQXHJISOT-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533851 1237899177 /nfs/dbraw/zinc/89/91/77/1237899177.db2.gz LPGRHOTULWIMNN-GSEOLPGOSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048537521 1237907613 /nfs/dbraw/zinc/90/76/13/1237907613.db2.gz DQABKNBYZHTTEC-KNJMJIDISA-N 2 0 343.515 2.386 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)CC1 ZINC001048624278 1238128834 /nfs/dbraw/zinc/12/88/34/1238128834.db2.gz NQJVXHYYWOOUCV-IYARVYRRSA-N 2 0 333.520 2.252 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048861321 1239063941 /nfs/dbraw/zinc/06/39/41/1239063941.db2.gz KTNSYVALXKTOTE-IXDOHACOSA-N 2 0 339.911 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CCCC)CC3)CC2)CC1 ZINC001000336218 1240181210 /nfs/dbraw/zinc/18/12/10/1240181210.db2.gz YYOLSILRBQIUST-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525456 1241248137 /nfs/dbraw/zinc/24/81/37/1241248137.db2.gz QPHGHBMSGOREIZ-ZCNNSNEGSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+](C)CC)CC1 ZINC001050255289 1243191808 /nfs/dbraw/zinc/19/18/08/1243191808.db2.gz YQSNXQXRFXPOLR-UHFFFAOYSA-N 2 0 327.472 2.100 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050563312 1243851097 /nfs/dbraw/zinc/85/10/97/1243851097.db2.gz CBSONIJAEUHOAM-HNNXBMFYSA-N 2 0 325.884 2.148 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001050724693 1244220498 /nfs/dbraw/zinc/22/04/98/1244220498.db2.gz NBRUGRYFUQZYFE-UHFFFAOYSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053040415 1245745951 /nfs/dbraw/zinc/74/59/51/1245745951.db2.gz JOYWGAUNZBJZIO-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052240 1245777633 /nfs/dbraw/zinc/77/76/33/1245777633.db2.gz STEBUPATQVTGBL-OALUTQOASA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC001053054592 1245781997 /nfs/dbraw/zinc/78/19/97/1245781997.db2.gz OAZFIDKEDFIPAN-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053099719 1245904404 /nfs/dbraw/zinc/90/44/04/1245904404.db2.gz XZWILHVLTRCISB-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596156 1246004449 /nfs/dbraw/zinc/00/44/49/1246004449.db2.gz LJZUTLJWISZJGS-CALCHBBNSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129433 1247471430 /nfs/dbraw/zinc/47/14/30/1247471430.db2.gz QSJHNYWYCLVMGL-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142515 1247509787 /nfs/dbraw/zinc/50/97/87/1247509787.db2.gz FBHBHXKDYKYJNA-AZUAARDMSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054198518 1247692073 /nfs/dbraw/zinc/69/20/73/1247692073.db2.gz YVMMWUUPATXLTK-CRAIPNDOSA-N 2 0 339.911 2.395 20 30 EEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281491 1247997916 /nfs/dbraw/zinc/99/79/16/1247997916.db2.gz MYSOFZDZMQOICH-DNVCBOLYSA-N 2 0 327.472 2.392 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459220 1257696802 /nfs/dbraw/zinc/69/68/02/1257696802.db2.gz CGLTWNAFAUCMAQ-QRVBRYPASA-N 2 0 325.456 2.107 20 30 EEEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310537 1258072435 /nfs/dbraw/zinc/07/24/35/1258072435.db2.gz PAMGBKLPUAKWTE-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299002 1278315246 /nfs/dbraw/zinc/31/52/46/1278315246.db2.gz SILGKGBNIMILEZ-JKSUJKDBSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299274 1278317482 /nfs/dbraw/zinc/31/74/82/1278317482.db2.gz VDDVXNTVVZUKFS-STQMWFEESA-N 2 0 346.313 2.110 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCCCF)CC2)CC1 ZINC001198236638 1285048678 /nfs/dbraw/zinc/04/86/78/1285048678.db2.gz QLTNEJGCKLPHTD-UHFFFAOYSA-N 2 0 337.483 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001211234140 1295771926 /nfs/dbraw/zinc/77/19/26/1295771926.db2.gz VJARZIAFPIDTTC-SFFCAUCYSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCCCC)C2)CC1 ZINC001211234383 1295772401 /nfs/dbraw/zinc/77/24/01/1295772401.db2.gz YTUQJPQMNPDQKX-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001211267764 1295787664 /nfs/dbraw/zinc/78/76/64/1295787664.db2.gz CHZLRVDHWGAZCW-AWEZNQCLSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218100786 1297569531 /nfs/dbraw/zinc/56/95/31/1297569531.db2.gz BYXGVBWKMHUZGM-CEXWTWQISA-N 2 0 349.519 2.127 20 30 EEEDRP Cn1cncc1C[C@H]([NH3+])C(=O)Nc1sc2ccccc2c1C#N ZINC001218648896 1297747724 /nfs/dbraw/zinc/74/77/24/1297747724.db2.gz MWECGKCCRUSZJV-ZDUSSCGKSA-N 2 0 325.397 2.015 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537918 1298052551 /nfs/dbraw/zinc/05/25/51/1298052551.db2.gz RNKOAFLVXLPZBW-DAYGRLMNSA-N 2 0 348.406 2.035 20 30 EEEDRP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568672 1298455732 /nfs/dbraw/zinc/45/57/32/1298455732.db2.gz YOPKZOYGWBGWSE-KSZLIROESA-N 2 0 339.524 2.015 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522214 1299183819 /nfs/dbraw/zinc/18/38/19/1299183819.db2.gz VJUKTGQQGMXANE-RDGPPVDQSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936774 1299925613 /nfs/dbraw/zinc/92/56/13/1299925613.db2.gz PEZDHUGKOGKZKO-QYZOEREBSA-N 2 0 342.487 2.416 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001230284407 1303141098 /nfs/dbraw/zinc/14/10/98/1303141098.db2.gz CUNHEFMJKIWEBZ-RTBURBONSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CCC[N@@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905490 1303538894 /nfs/dbraw/zinc/53/88/94/1303538894.db2.gz GOJVXKHBBQHOQE-UHFFFAOYSA-N 2 0 344.503 2.145 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001112423871 1304541525 /nfs/dbraw/zinc/54/15/25/1304541525.db2.gz JGBCFGNCEAUVAW-RXVVDRJESA-N 2 0 343.515 2.104 20 30 EEEDRP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336949 1305195503 /nfs/dbraw/zinc/19/55/03/1305195503.db2.gz RAZFTOWQRUTQOM-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)cc1 ZINC001235353182 1305203403 /nfs/dbraw/zinc/20/34/03/1305203403.db2.gz WBTYSQHXPDYAHL-ICSRJNTNSA-N 2 0 326.440 2.033 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccccc3CC#N)CC2)CC1 ZINC001235528244 1305268569 /nfs/dbraw/zinc/26/85/69/1305268569.db2.gz PEZFDUUPLMYJAU-UHFFFAOYSA-N 2 0 326.488 2.212 20 30 EEEDRP C[NH+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCCC1 ZINC001115707972 1305643862 /nfs/dbraw/zinc/64/38/62/1305643862.db2.gz HEYAVVDVGSERFH-UHFFFAOYSA-N 2 0 341.499 2.399 20 30 EEEDRP CCCCCCC[C@H](CC)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923598 1310467235 /nfs/dbraw/zinc/46/72/35/1310467235.db2.gz CQZVALQXTAKAJW-KRWDZBQOSA-N 3 0 328.545 2.241 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150333357 1316236966 /nfs/dbraw/zinc/23/69/66/1316236966.db2.gz MFHVRECODGJXSN-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001151175033 1316467509 /nfs/dbraw/zinc/46/75/09/1316467509.db2.gz UTZFGLWWXKLWIN-QGZVFWFLSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001151402492 1316520829 /nfs/dbraw/zinc/52/08/29/1316520829.db2.gz IFXQRSFSTZTGCP-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001151399111 1316521278 /nfs/dbraw/zinc/52/12/78/1316521278.db2.gz OXQMKOLODZRRQQ-UHFFFAOYSA-N 2 0 349.519 2.036 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152480257 1316678163 /nfs/dbraw/zinc/67/81/63/1316678163.db2.gz OFEQMULNBFFKCU-CQSZACIVSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034176 1316941137 /nfs/dbraw/zinc/94/11/37/1316941137.db2.gz UVJJGNJRIOXRDO-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904799 1317377311 /nfs/dbraw/zinc/37/73/11/1317377311.db2.gz ZUOCSHLEDLWQAO-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023796 1317423537 /nfs/dbraw/zinc/42/35/37/1317423537.db2.gz LBSSUFLYGZXCPT-MRXNPFEDSA-N 2 0 349.906 2.470 20 30 EEEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253243797 1317806613 /nfs/dbraw/zinc/80/66/13/1317806613.db2.gz ZQMRCHQOWYWYDO-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001157887239 1318918207 /nfs/dbraw/zinc/91/82/07/1318918207.db2.gz SQJRRTUEIQZTAG-IBGZPJMESA-N 2 0 327.472 2.007 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC001158030576 1318978233 /nfs/dbraw/zinc/97/82/33/1318978233.db2.gz UTTNBCCKKLMEJG-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158680392 1319373897 /nfs/dbraw/zinc/37/38/97/1319373897.db2.gz RMLAFHFMVHCICS-LJQANCHMSA-N 2 0 333.520 2.443 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001159327463 1319740733 /nfs/dbraw/zinc/74/07/33/1319740733.db2.gz LFARYYRLXDLTAX-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)CCC1 ZINC001159854888 1320005386 /nfs/dbraw/zinc/00/53/86/1320005386.db2.gz VXTLUWCJEOVGIV-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159909774 1320017759 /nfs/dbraw/zinc/01/77/59/1320017759.db2.gz NFIVAUQBVVBPRH-IBGZPJMESA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161649324 1320570424 /nfs/dbraw/zinc/57/04/24/1320570424.db2.gz CKVWJAJYIBQLHY-QGZVFWFLSA-N 2 0 348.516 2.336 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203490556 1321894851 /nfs/dbraw/zinc/89/48/51/1321894851.db2.gz CIDMVFFTMFQSPN-RBUKOAKNSA-N 2 0 339.483 2.402 20 30 EEEDRP O=C(Cc1ncc[nH]1)N[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203539889 1321908195 /nfs/dbraw/zinc/90/81/95/1321908195.db2.gz RMQAQSNYUFXIGL-QZTJIDSGSA-N 2 0 348.450 2.021 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588449 1321917850 /nfs/dbraw/zinc/91/78/50/1321917850.db2.gz NLRJSMPMQCPUAC-RBUKOAKNSA-N 2 0 343.515 2.149 20 30 EEEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001276436496 1322021549 /nfs/dbraw/zinc/02/15/49/1322021549.db2.gz QQXHDFGEHHOFKQ-ROUUACIJSA-N 2 0 332.879 2.422 20 30 EEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001205457477 1323143486 /nfs/dbraw/zinc/14/34/86/1323143486.db2.gz AJHHMELMRYYLQH-IBGZPJMESA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685736 1323244870 /nfs/dbraw/zinc/24/48/70/1323244870.db2.gz GNHCDTZUVKSGGC-PKOBYXMFSA-N 2 0 345.462 2.073 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208453788 1324506297 /nfs/dbraw/zinc/50/62/97/1324506297.db2.gz OBTALNYCZYROMY-IBGZPJMESA-N 2 0 341.499 2.349 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210218136 1325203672 /nfs/dbraw/zinc/20/36/72/1325203672.db2.gz OUMGDTLDDXZILT-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](C)CC2)c(OC)c1 ZINC001336739695 1336588033 /nfs/dbraw/zinc/58/80/33/1336588033.db2.gz QHGPMNNBHFBQFV-GOSISDBHSA-N 2 0 348.487 2.095 20 30 EEEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001357406764 1338990271 /nfs/dbraw/zinc/99/02/71/1338990271.db2.gz ZGWVLNDMDDRHCE-UHFFFAOYSA-N 2 0 341.499 2.060 20 30 EEEDRP CC(C)n1ncc(C#N)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201654769 1368826887 /nfs/dbraw/zinc/82/68/87/1368826887.db2.gz MGQOSAJADUWMHQ-UHFFFAOYSA-N 2 0 325.420 2.226 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCCO1 ZINC001202142383 1368879824 /nfs/dbraw/zinc/87/98/24/1368879824.db2.gz VOLWNDXWLFYFRK-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC=C(C)C)C2)CC1 ZINC001072096339 1370605385 /nfs/dbraw/zinc/60/53/85/1370605385.db2.gz XTFUEZTUQOWHOW-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CCC3)C2)CC1 ZINC001072096208 1370605496 /nfs/dbraw/zinc/60/54/96/1370605496.db2.gz VLGOWORLMKQSKH-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CN(C)C)on2)C1 ZINC001098913527 1370992770 /nfs/dbraw/zinc/99/27/70/1370992770.db2.gz CYGOZFVIPUIZTF-KXBFYZLASA-N 2 0 346.475 2.287 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C)[NH+](C)C ZINC001367480306 1374176228 /nfs/dbraw/zinc/17/62/28/1374176228.db2.gz LUKNBVIPRIXAAD-ROUUACIJSA-N 2 0 348.466 2.268 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001369580759 1374578767 /nfs/dbraw/zinc/57/87/67/1374578767.db2.gz YSRNPNFRIZLLBK-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001370783996 1375033530 /nfs/dbraw/zinc/03/35/30/1375033530.db2.gz ZDJRAYFDOXAXIO-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001389903332 1388354806 /nfs/dbraw/zinc/35/48/06/1388354806.db2.gz BJPVELIFCXYAKT-SHTZXODSSA-N 2 0 346.500 2.233 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001372651090 1376113243 /nfs/dbraw/zinc/11/32/43/1376113243.db2.gz NLEOBRADLNEPEE-RTBURBONSA-N 2 0 342.487 2.083 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001377395350 1379202403 /nfs/dbraw/zinc/20/24/03/1379202403.db2.gz RZZOOUWBWCXIIZ-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1)[NH+](C)C ZINC001393550392 1390468953 /nfs/dbraw/zinc/46/89/53/1390468953.db2.gz YQILZSFQGGGJJW-QGZVFWFLSA-N 2 0 328.460 2.027 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001397123536 1391094278 /nfs/dbraw/zinc/09/42/78/1391094278.db2.gz SGBJQGNGQKFTLI-HDJSIYSDSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001752921293 1406548315 /nfs/dbraw/zinc/54/83/15/1406548315.db2.gz PJNQJLBIEOWDHS-DLBZAZTESA-N 2 0 327.472 2.187 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001399383009 1395026173 /nfs/dbraw/zinc/02/61/73/1395026173.db2.gz HKETYZSIBPAJDM-ZDUSSCGKSA-N 2 0 344.297 2.008 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001403187502 1398466220 /nfs/dbraw/zinc/46/62/20/1398466220.db2.gz HWTYHKXEKQIJJN-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001422936107 1400292700 /nfs/dbraw/zinc/29/27/00/1400292700.db2.gz MULHAKYDUOYZGF-HOTGVXAUSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001423663361 1400728064 /nfs/dbraw/zinc/72/80/64/1400728064.db2.gz WWUMKQVSYRUXBD-HXUWFJFHSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001426241157 1401984249 /nfs/dbraw/zinc/98/42/49/1401984249.db2.gz UYIIGKVLGQFOGZ-MQBCKMQZSA-N 2 0 348.516 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001755483788 1407517977 /nfs/dbraw/zinc/51/79/77/1407517977.db2.gz WACAGTJRGXBUOS-KESTWPANSA-N 2 0 345.531 2.396 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071974 1410518869 /nfs/dbraw/zinc/51/88/69/1410518869.db2.gz MYFXDNSEELVGOE-ROUUACIJSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167095783 757282380 /nfs/dbraw/zinc/28/23/80/757282380.db2.gz KNFPPMLRWKLPEU-MOPGFXCFSA-N 2 0 329.488 2.394 20 30 EEEDRP C=CCC[NH2+]CC1(CCNC(=O)c2cc(CN3CCCC3)on2)CC1 ZINC001167232908 757537160 /nfs/dbraw/zinc/53/71/60/757537160.db2.gz UKMSKFWGBXRGBN-UHFFFAOYSA-N 2 0 346.475 2.336 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167389168 758232922 /nfs/dbraw/zinc/23/29/22/758232922.db2.gz KKICALIPCVNVMV-UHFFFAOYSA-N 2 0 327.900 2.347 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087314489 761596194 /nfs/dbraw/zinc/59/61/94/761596194.db2.gz LUWUOKXTFSZXQW-IXDOHACOSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001105062168 768977496 /nfs/dbraw/zinc/97/74/96/768977496.db2.gz DDKLQUOWMLLMAZ-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427905 769071909 /nfs/dbraw/zinc/07/19/09/769071909.db2.gz SVROLUKIOANZNO-ZWKOTPCHSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510113 770042754 /nfs/dbraw/zinc/04/27/54/770042754.db2.gz MTIDFZQQNOARBG-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@H](C)C2)CC1 ZINC000948069221 770965048 /nfs/dbraw/zinc/96/50/48/770965048.db2.gz DMINGSABINYWAF-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473357 782893219 /nfs/dbraw/zinc/89/32/19/782893219.db2.gz DVPRJDSQCNSVPP-KRWDZBQOSA-N 2 0 330.476 2.263 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473427 782894462 /nfs/dbraw/zinc/89/44/62/782894462.db2.gz GXMYEAWGKACFTL-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001131696864 783094730 /nfs/dbraw/zinc/09/47/30/783094730.db2.gz BZSWMGQYXLWTHG-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2)CC1 ZINC000980477499 774701914 /nfs/dbraw/zinc/70/19/14/774701914.db2.gz HCTUILAZSGDSFQ-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839008 777493429 /nfs/dbraw/zinc/49/34/29/777493429.db2.gz ODKHQMOHBJCDFV-OBZTUIKSSA-N 2 0 348.450 2.140 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1CCC)CCO2 ZINC000949108613 778505691 /nfs/dbraw/zinc/50/56/91/778505691.db2.gz QVUFPNGLSMYTMK-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702891 778657081 /nfs/dbraw/zinc/65/70/81/778657081.db2.gz JOIIZSMYANCYKJ-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981959110 778666369 /nfs/dbraw/zinc/66/63/69/778666369.db2.gz ZBTURRBCCSJQMD-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995208698 781874363 /nfs/dbraw/zinc/87/43/63/781874363.db2.gz ILTBIVQXISZKNA-CABCVRRESA-N 2 0 346.500 2.090 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001088337904 783557487 /nfs/dbraw/zinc/55/74/87/783557487.db2.gz QEWPXDZPSOWBNH-IAGOWNOFSA-N 2 0 330.476 2.382 20 30 EEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481743 783836982 /nfs/dbraw/zinc/83/69/82/783836982.db2.gz WQTCQIFIJUNWJA-ROUUACIJSA-N 2 0 329.488 2.057 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164035 783865419 /nfs/dbraw/zinc/86/54/19/783865419.db2.gz SMJZWCDPRLFREH-IBGZPJMESA-N 2 0 349.475 2.128 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC001135477381 783866473 /nfs/dbraw/zinc/86/64/73/783866473.db2.gz FUEPGBSSJNFTHH-SFHVURJKSA-N 2 0 348.466 2.270 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035192279 784078973 /nfs/dbraw/zinc/07/89/73/784078973.db2.gz XHZMEJBIHWMEJR-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239726 784162783 /nfs/dbraw/zinc/16/27/83/784162783.db2.gz YXKRRYUWMGFRGR-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980182 784906353 /nfs/dbraw/zinc/90/63/53/784906353.db2.gz MDTUYQXFSJTXPV-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005874078 788611293 /nfs/dbraw/zinc/61/12/93/788611293.db2.gz VJRYDQPBSLSNHH-LJQANCHMSA-N 2 0 331.504 2.340 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001171159996 789558628 /nfs/dbraw/zinc/55/86/28/789558628.db2.gz CFVYMKVOQJAGSM-HUUCEWRRSA-N 2 0 348.516 2.336 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905021 789623388 /nfs/dbraw/zinc/62/33/88/789623388.db2.gz YPEGSLVNZJCPHD-OTWHNJEPSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585547 791338541 /nfs/dbraw/zinc/33/85/41/791338541.db2.gz ZVBVURBFIBTVHG-SJORKVTESA-N 2 0 347.503 2.437 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590854 791360604 /nfs/dbraw/zinc/36/06/04/791360604.db2.gz CEMPJLRIXGALOY-JKSUJKDBSA-N 2 0 330.476 2.271 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001146610154 791373612 /nfs/dbraw/zinc/37/36/12/791373612.db2.gz IACMCRWXUBWDRV-HZPDHXFCSA-N 2 0 347.528 2.466 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171954 792125675 /nfs/dbraw/zinc/12/56/75/792125675.db2.gz SKNVSFLNAKCZDK-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CCF)CC2)CC1 ZINC000998195845 792200409 /nfs/dbraw/zinc/20/04/09/792200409.db2.gz HVHKLXJVRNJMCV-GOSISDBHSA-N 2 0 337.483 2.004 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C(F)(F)F ZINC000998318532 792570466 /nfs/dbraw/zinc/57/04/66/792570466.db2.gz ZUZBJRMETRAJGX-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941641 793032786 /nfs/dbraw/zinc/03/27/86/793032786.db2.gz ZLRJHTCCQCMSJD-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092298000 793774544 /nfs/dbraw/zinc/77/45/44/793774544.db2.gz JFBXXVPABCSSHC-CTNGQTDRSA-N 2 0 339.483 2.165 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC2(CCOCC2)C1 ZINC001089941976 794270849 /nfs/dbraw/zinc/27/08/49/794270849.db2.gz NMPDZKGPHSZGQN-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198792 794446034 /nfs/dbraw/zinc/44/60/34/794446034.db2.gz RPOGKTVAKCYVAZ-AYOQOUSVSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC000992515587 794472518 /nfs/dbraw/zinc/47/25/18/794472518.db2.gz ZEXGNIFBFFPLNY-PZJWPPBQSA-N 2 0 343.515 2.411 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506878 794558579 /nfs/dbraw/zinc/55/85/79/794558579.db2.gz CFEKXEUIDTWVEG-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748223 794762511 /nfs/dbraw/zinc/76/25/11/794762511.db2.gz ZMFMOKXQPBNPHR-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC000992691364 795106560 /nfs/dbraw/zinc/10/65/60/795106560.db2.gz NRSWPKNGPIOIDE-FGTMMUONSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212434751 795709760 /nfs/dbraw/zinc/70/97/60/795709760.db2.gz GSHPMKRLYBMTGL-KURKYZTESA-N 2 0 339.524 2.134 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1C ZINC001106655736 796059322 /nfs/dbraw/zinc/05/93/22/796059322.db2.gz AUBCQXXMNYOVBZ-BNOWGMLFSA-N 2 0 336.867 2.266 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551963 796426917 /nfs/dbraw/zinc/42/69/17/796426917.db2.gz RYIWXNVTOWPMPB-TZIWHRDSSA-N 2 0 345.531 2.491 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309075 796951472 /nfs/dbraw/zinc/95/14/72/796951472.db2.gz QAXPRBUIRVIWOE-SFHVURJKSA-N 2 0 328.504 2.449 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078818945 797023951 /nfs/dbraw/zinc/02/39/51/797023951.db2.gz GASGWCNXZOGTTA-MSOLQXFVSA-N 2 0 325.456 2.012 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001094993754 797190565 /nfs/dbraw/zinc/19/05/65/797190565.db2.gz SSDFZNSVJUNNME-IMJJTQAJSA-N 2 0 325.884 2.050 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176601386 798516297 /nfs/dbraw/zinc/51/62/97/798516297.db2.gz TZHWDKXGIGHBQE-ZWKOTPCHSA-N 2 0 339.524 2.186 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001177375931 798890556 /nfs/dbraw/zinc/89/05/56/798890556.db2.gz RGWXPLZAEUSCBA-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415880 798933775 /nfs/dbraw/zinc/93/37/75/798933775.db2.gz MRHXHRHELOETLP-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585445 806706321 /nfs/dbraw/zinc/70/63/21/806706321.db2.gz YIMJFELHKAZEDO-ICSRJNTNSA-N 2 0 331.504 2.104 20 30 EEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707965 799599303 /nfs/dbraw/zinc/59/93/03/799599303.db2.gz PVWARWXRKSANSI-LNLFQRSKSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179591292 799998030 /nfs/dbraw/zinc/99/80/30/799998030.db2.gz STIOOKLRFZLFAP-LJQANCHMSA-N 2 0 339.499 2.488 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001183092280 801448833 /nfs/dbraw/zinc/44/88/33/801448833.db2.gz WPNHIMGNLNYUSC-UHFFFAOYSA-N 2 0 343.471 2.124 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440266 802049227 /nfs/dbraw/zinc/04/92/27/802049227.db2.gz YODJXGDTWHZKDI-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001184693165 802129803 /nfs/dbraw/zinc/12/98/03/802129803.db2.gz OSCWEFRLGYDUTH-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623740 802291084 /nfs/dbraw/zinc/29/10/84/802291084.db2.gz PBRLWVYXLZDYQM-ZCNNSNEGSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728554 802913067 /nfs/dbraw/zinc/91/30/67/802913067.db2.gz GOIPBLLWSJYNDR-HSALFYBXSA-N 2 0 345.531 2.302 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197535 803043999 /nfs/dbraw/zinc/04/39/99/803043999.db2.gz IEJBGLJLBJBAAC-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758800 803193501 /nfs/dbraw/zinc/19/35/01/803193501.db2.gz VEURWWFUKCITFS-CALCHBBNSA-N 2 0 339.911 2.251 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765273 803327338 /nfs/dbraw/zinc/32/73/38/803327338.db2.gz KUENYTNSIHICTQ-IXDOHACOSA-N 2 0 341.927 2.496 20 30 EEEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001169127091 803622757 /nfs/dbraw/zinc/62/27/57/803622757.db2.gz IKHSBELIIPMBDM-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001108787334 804495008 /nfs/dbraw/zinc/49/50/08/804495008.db2.gz PIYUONOXCZXYRR-KSZLIROESA-N 2 0 349.519 2.033 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086659212 812430563 /nfs/dbraw/zinc/43/05/63/812430563.db2.gz NXBDWRJBTBBJRN-IPMKNSEASA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001437022435 1088815030 /nfs/dbraw/zinc/81/50/30/1088815030.db2.gz QDGAASLNTNJBOW-AWEZNQCLSA-N 2 0 346.313 2.065 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001437320797 1089482634 /nfs/dbraw/zinc/48/26/34/1089482634.db2.gz BNSKAKYTNOGECW-KGLIPLIRSA-N 2 0 346.313 2.254 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC001438527973 1091020195 /nfs/dbraw/zinc/02/01/95/1091020195.db2.gz GOWWJFOPXMAFMA-MRXNPFEDSA-N 2 0 344.503 2.378 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001439880365 1092928869 /nfs/dbraw/zinc/92/88/69/1092928869.db2.gz AZMXXWHUURWXHN-FQEVSTJZSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001440121038 1093182322 /nfs/dbraw/zinc/18/23/22/1093182322.db2.gz NBVRARMCPVYALB-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937053 1096130943 /nfs/dbraw/zinc/13/09/43/1096130943.db2.gz RRGDGEYTAZWNKK-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1cccc(C#N)c1 ZINC001442942697 1097355054 /nfs/dbraw/zinc/35/50/54/1097355054.db2.gz VKYIVXFBFRFBKD-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001480058554 1099580583 /nfs/dbraw/zinc/58/05/83/1099580583.db2.gz RKTPFBLZTUPIPY-MRXNPFEDSA-N 2 0 327.900 2.344 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001445105376 1100330810 /nfs/dbraw/zinc/33/08/10/1100330810.db2.gz GDNVDVDDTNHPDW-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001495138553 1100808610 /nfs/dbraw/zinc/80/86/10/1100808610.db2.gz KMXHDZYOFIKVPJ-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001495495225 1101204312 /nfs/dbraw/zinc/20/43/12/1101204312.db2.gz LZMUBJHONCSBJB-AWEZNQCLSA-N 2 0 335.879 2.487 20 30 EEEDRP C=CCn1c([C@H]2CCCCN2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520305729 1119144789 /nfs/dbraw/zinc/14/47/89/1119144789.db2.gz SCZKEGVYIQMCMG-MRXNPFEDSA-N 2 0 332.496 2.151 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422830940 240252765 /nfs/dbraw/zinc/25/27/65/240252765.db2.gz JAKQHZPRPUGZDG-IYWMVGAKSA-N 2 0 335.536 2.432 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491815646 533148157 /nfs/dbraw/zinc/14/81/57/533148157.db2.gz VEHLWRXFZSUKNL-OAQYLSRUSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000491384793 533164144 /nfs/dbraw/zinc/16/41/44/533164144.db2.gz PNSFWIBEXLYICG-UHFFFAOYSA-N 2 0 327.472 2.148 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269254287 255553923 /nfs/dbraw/zinc/55/39/23/255553923.db2.gz JCEAAOZNZKRZSK-UHFFFAOYSA-N 2 0 340.471 2.370 20 30 EEEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121722162 463183692 /nfs/dbraw/zinc/18/36/92/463183692.db2.gz BRCVWJZLGYDKSP-QGZVFWFLSA-N 2 0 334.508 2.335 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)cn1 ZINC000185591498 463847241 /nfs/dbraw/zinc/84/72/41/463847241.db2.gz LDBLOICCRXBNAR-QGZVFWFLSA-N 2 0 338.459 2.032 20 30 EEEDRP C#CCCC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000271071685 464278128 /nfs/dbraw/zinc/27/81/28/464278128.db2.gz VVGMUWMFFBHNBV-LJQANCHMSA-N 2 0 326.488 2.329 20 30 EEEDRP [NH2+]=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCOCC1 ZINC000264086958 464280788 /nfs/dbraw/zinc/28/07/88/464280788.db2.gz JTRLCJIQRNDFDJ-UHFFFAOYSA-N 2 0 330.476 2.210 20 30 EEEDRP CCCC(=O)Nc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000264079774 464281333 /nfs/dbraw/zinc/28/13/33/464281333.db2.gz GWUZZHMFDHZQQH-QGZVFWFLSA-N 2 0 345.491 2.314 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000264079263 464281445 /nfs/dbraw/zinc/28/14/45/464281445.db2.gz ICUZPZJDXXEOSX-IAGOWNOFSA-N 2 0 347.507 2.195 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000293897097 464425021 /nfs/dbraw/zinc/42/50/21/464425021.db2.gz DZDSBDOQDRZKTF-UHFFFAOYSA-N 2 0 327.472 2.357 20 30 EEEDRP C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+]1CCN(C)CC1 ZINC000267336751 464926087 /nfs/dbraw/zinc/92/60/87/464926087.db2.gz RZCIJQZGUYWYLV-INIZCTEOSA-N 2 0 343.519 2.176 20 30 EEEDRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000330893381 465849935 /nfs/dbraw/zinc/84/99/35/465849935.db2.gz QUDQEUVTTDDZJP-QWHCGFSZSA-N 2 0 347.463 2.201 20 30 EEEDRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)CC1 ZINC000424170941 466995705 /nfs/dbraw/zinc/99/57/05/466995705.db2.gz LNKLGKYIROFVCG-GOSISDBHSA-N 2 0 343.475 2.177 20 30 EEEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424179634 466997866 /nfs/dbraw/zinc/99/78/66/466997866.db2.gz ZEFLYLVZGLQEOA-SZMVWBNQSA-N 2 0 328.460 2.034 20 30 EEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000515235050 467981494 /nfs/dbraw/zinc/98/14/94/467981494.db2.gz XIXGSUCLIBBOFB-SFHVURJKSA-N 2 0 331.460 2.008 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000550157216 468209401 /nfs/dbraw/zinc/20/94/01/468209401.db2.gz VISIEXLJAKFQPY-IYBDPMFKSA-N 2 0 340.475 2.449 20 30 EEEDRP C#CCn1ccc(CN(CCCc2ccc(C)nc2)CCOC)n1 ZINC000490740959 468244828 /nfs/dbraw/zinc/24/48/28/468244828.db2.gz RVICJYJRCASABH-UHFFFAOYSA-N 2 0 326.444 2.301 20 30 EEEDRP C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426506 469392403 /nfs/dbraw/zinc/39/24/03/469392403.db2.gz AEMAOBCXELGSJN-PXNSSMCTSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000113319835 526743901 /nfs/dbraw/zinc/74/39/01/526743901.db2.gz LMJXRNIXFPSENC-OAQYLSRUSA-N 2 0 343.515 2.450 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000728711656 576520510 /nfs/dbraw/zinc/52/05/10/576520510.db2.gz MTLNNSXRMVLPNR-MRXNPFEDSA-N 2 0 330.476 2.093 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1 ZINC001020818457 675513875 /nfs/dbraw/zinc/51/38/75/675513875.db2.gz NOQHVLKUWKTTRL-WGSAOQKQSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000971785037 676790320 /nfs/dbraw/zinc/79/03/20/676790320.db2.gz PWMAMWJCLKAGSG-FUHWJXTLSA-N 2 0 346.450 2.070 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022984581 678893627 /nfs/dbraw/zinc/89/36/27/678893627.db2.gz GTOMOIVCPBYHSM-CALCHBBNSA-N 2 0 349.438 2.070 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]CC)CC1 ZINC000246075977 679189591 /nfs/dbraw/zinc/18/95/91/679189591.db2.gz BUWHOQRWYLEDLM-RCCFBDPRSA-N 2 0 346.519 2.150 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176965788 679793195 /nfs/dbraw/zinc/79/31/95/679793195.db2.gz KVRIQXRWWZUPHC-UHFFFAOYSA-N 2 0 332.370 2.331 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001025629251 683160370 /nfs/dbraw/zinc/16/03/70/683160370.db2.gz DWCIDAZACWXREY-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631232 683169346 /nfs/dbraw/zinc/16/93/46/683169346.db2.gz YSGLFPNICKTMDZ-DLBZAZTESA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC000992859277 683608557 /nfs/dbraw/zinc/60/85/57/683608557.db2.gz ODIVZYOYWHOXNW-BHYGNILZSA-N 2 0 328.460 2.164 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]12 ZINC001026360155 684436643 /nfs/dbraw/zinc/43/66/43/684436643.db2.gz IWLQLYUZUZAOLH-VAMGGRTRSA-N 2 0 341.499 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]12 ZINC001026385556 684519200 /nfs/dbraw/zinc/51/92/00/684519200.db2.gz CWNXQWITLXHGBC-IXDOHACOSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686913 685224867 /nfs/dbraw/zinc/22/48/67/685224867.db2.gz ZEZUYTOPEWTZTF-MSOLQXFVSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+](C)CCOc1ccc(C[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000897398311 688794468 /nfs/dbraw/zinc/79/44/68/688794468.db2.gz AIIGOFWCDGHMNV-UHFFFAOYSA-N 2 0 339.443 2.095 20 30 EEEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977449414 692634553 /nfs/dbraw/zinc/63/45/53/692634553.db2.gz JPRLCRZLIWJEMI-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754019213 1176897554 /nfs/dbraw/zinc/89/75/54/1176897554.db2.gz JVAXCXUOQUZIFO-AWEZNQCLSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)C[C@@H]2C)CC1 ZINC000945179428 1193414721 /nfs/dbraw/zinc/41/47/21/1193414721.db2.gz IVHBEEJNZSQQTR-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001088385933 1186764320 /nfs/dbraw/zinc/76/43/20/1186764320.db2.gz XUVSSSKLJZSGSP-BRWVUGGUSA-N 2 0 330.476 2.461 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001105438466 1187119913 /nfs/dbraw/zinc/11/99/13/1187119913.db2.gz IMLMHDDEDICHPA-HFSMHLIXSA-N 2 0 341.499 2.463 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105560673 1188176771 /nfs/dbraw/zinc/17/67/71/1188176771.db2.gz BCLPGKRRNHNLEB-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484356223 1191316397 /nfs/dbraw/zinc/31/63/97/1191316397.db2.gz UXFBWDFTLKMXAK-HZPDHXFCSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005498448 1195659575 /nfs/dbraw/zinc/65/95/75/1195659575.db2.gz TYVNTCXKKUUJSC-IBGZPJMESA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001005690657 1196674507 /nfs/dbraw/zinc/67/45/07/1196674507.db2.gz IPFLTYIGZAXJOF-UHFFFAOYSA-N 2 0 339.443 2.380 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001133893559 1199149561 /nfs/dbraw/zinc/14/95/61/1199149561.db2.gz KOMORZJOONDRLJ-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250516 1200642889 /nfs/dbraw/zinc/64/28/89/1200642889.db2.gz XSYCALVRCMGJIR-CVEARBPZSA-N 2 0 330.476 2.412 20 30 EEEDRP CC[C@@H](C(=O)NCCNCc1cc(F)ccc1C#N)[NH+](CC)CC ZINC001133683917 1201179994 /nfs/dbraw/zinc/17/99/94/1201179994.db2.gz APZGTNRXLXCMHP-KRWDZBQOSA-N 2 0 334.439 2.024 20 30 EEEDRP C#CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000883131340 1202017890 /nfs/dbraw/zinc/01/78/90/1202017890.db2.gz WWLMXAPZKDBZMI-UHFFFAOYSA-N 2 0 332.398 2.410 20 30 EEEDRP C#CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000886660805 1202541504 /nfs/dbraw/zinc/54/15/04/1202541504.db2.gz GJTKBJPEEFURID-MJGOQNOKSA-N 2 0 329.488 2.375 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202764223 1204892912 /nfs/dbraw/zinc/89/29/12/1204892912.db2.gz LSONYXOLBPUWCY-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1C ZINC000931397763 1207370091 /nfs/dbraw/zinc/37/00/91/1207370091.db2.gz XQIAZPPMZJTNMM-GOSISDBHSA-N 2 0 342.487 2.355 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000948604759 1209247466 /nfs/dbraw/zinc/24/74/66/1209247466.db2.gz ILJGWHVBWBAICN-MRXNPFEDSA-N 2 0 339.443 2.380 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948785962 1209375765 /nfs/dbraw/zinc/37/57/65/1209375765.db2.gz SRTBMNUUWJYLRS-GVDBMIGSSA-N 2 0 330.476 2.413 20 30 EEEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000303786439 1213905158 /nfs/dbraw/zinc/90/51/58/1213905158.db2.gz RKEJTNNSGXBHKR-GOSISDBHSA-N 2 0 331.508 2.248 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCN(C)c1ccccc1 ZINC000303905504 1213923450 /nfs/dbraw/zinc/92/34/50/1213923450.db2.gz ZLRXPGMGHDNXJI-SFHVURJKSA-N 2 0 331.508 2.292 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550029 1215202261 /nfs/dbraw/zinc/20/22/61/1215202261.db2.gz GOERBXFQRXQLGO-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593317 1215238882 /nfs/dbraw/zinc/23/88/82/1215238882.db2.gz RTHLCRWBCDNQDI-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633868 1215278714 /nfs/dbraw/zinc/27/87/14/1215278714.db2.gz RUECWRLZIKTJAW-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192869 1217080271 /nfs/dbraw/zinc/08/02/71/1217080271.db2.gz DBEUAZVZGIVNIM-MOPGFXCFSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277062 1217123630 /nfs/dbraw/zinc/12/36/30/1217123630.db2.gz AGEJWXCNNFMQFN-IRXDYDNUSA-N 2 0 339.911 2.395 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368401 1217565399 /nfs/dbraw/zinc/56/53/99/1217565399.db2.gz WFWOVJDAPGKKNN-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336069 1226359330 /nfs/dbraw/zinc/35/93/30/1226359330.db2.gz HYCMKMNKIOGEIW-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018835616 1228443542 /nfs/dbraw/zinc/44/35/42/1228443542.db2.gz KTWYYWGPEBTDBB-OALUTQOASA-N 2 0 340.471 2.122 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019820518 1229362943 /nfs/dbraw/zinc/36/29/43/1229362943.db2.gz NRSOGGZPAKHNPP-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020250731 1229582956 /nfs/dbraw/zinc/58/29/56/1229582956.db2.gz NJMIULKQPBCDDL-LKIAZTKLSA-N 2 0 331.504 2.147 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137774 1230351160 /nfs/dbraw/zinc/35/11/60/1230351160.db2.gz LBHXBNCMSIONMP-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387207 1230572208 /nfs/dbraw/zinc/57/22/08/1230572208.db2.gz YBSHZYHBICIOEP-HSALFYBXSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040875082 1231393103 /nfs/dbraw/zinc/39/31/03/1231393103.db2.gz QYSJNOWHQHVQDE-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605849 1231621183 /nfs/dbraw/zinc/62/11/83/1231621183.db2.gz NIRLMQAOZZWWHQ-IBGZPJMESA-N 2 0 331.460 2.455 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677982 1231647212 /nfs/dbraw/zinc/64/72/12/1231647212.db2.gz FGDASGGGOCKTIJ-PMACEKPBSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC(C)C)[C@@H]3C2)CC1 ZINC001042367938 1232050464 /nfs/dbraw/zinc/05/04/64/1232050464.db2.gz MKDVBFXRTGGLBF-UYAOXDASSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001045650608 1233883514 /nfs/dbraw/zinc/88/35/14/1233883514.db2.gz GSHIEJISVAWWLJ-UHFFFAOYSA-N 2 0 331.460 2.339 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045939444 1234194516 /nfs/dbraw/zinc/19/45/16/1234194516.db2.gz BGXGDCVIEMDNJX-CTNGQTDRSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046925940 1235314458 /nfs/dbraw/zinc/31/44/58/1235314458.db2.gz PPPZLDWGJDDYRW-HUUCEWRRSA-N 2 0 329.435 2.120 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226775 1235700460 /nfs/dbraw/zinc/70/04/60/1235700460.db2.gz XHYHFWUGZQIJTA-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047240321 1235726432 /nfs/dbraw/zinc/72/64/32/1235726432.db2.gz ATWBUDRWZPOSDR-BHIYHBOVSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047243974 1235734675 /nfs/dbraw/zinc/73/46/75/1235734675.db2.gz OILOQUFJGSJRES-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185399 1240039589 /nfs/dbraw/zinc/03/95/89/1240039589.db2.gz OCCYASNAGTWWCA-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000684599 1240729041 /nfs/dbraw/zinc/72/90/41/1240729041.db2.gz CLOROFXXKDKAER-LJQANCHMSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049523782 1241240476 /nfs/dbraw/zinc/24/04/76/1241240476.db2.gz HDZOZXDFRPPVRW-CEXWTWQISA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615704 1241652307 /nfs/dbraw/zinc/65/23/07/1241652307.db2.gz NKWDCBLWMQYFSC-VQTJNVASSA-N 2 0 339.483 2.103 20 30 EEEDRP N#CC1(CCCC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742017 1241798518 /nfs/dbraw/zinc/79/85/18/1241798518.db2.gz ULQMEVBPDOFNRH-QZTJIDSGSA-N 2 0 346.519 2.431 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517774 1243770178 /nfs/dbraw/zinc/77/01/78/1243770178.db2.gz FLJFPMVJOARGIT-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC[C@H](C)F)CC3)CC1 ZINC001050764768 1244316627 /nfs/dbraw/zinc/31/66/27/1244316627.db2.gz GZSKRUPEZIOVAV-KRWDZBQOSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@@H](F)CC)CC3)CC1 ZINC001050765820 1244318989 /nfs/dbraw/zinc/31/89/89/1244318989.db2.gz XOLFGUURKCTJTI-SFHVURJKSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032970 1245725773 /nfs/dbraw/zinc/72/57/73/1245725773.db2.gz QKZUETCSHBWQSB-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053099721 1245904136 /nfs/dbraw/zinc/90/41/36/1245904136.db2.gz XZWILHVLTRCISB-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646706 1246584514 /nfs/dbraw/zinc/58/45/14/1246584514.db2.gz CRPGBKVRVFWQEB-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053673683 1246625435 /nfs/dbraw/zinc/62/54/35/1246625435.db2.gz FGYKDRUHRVDSCL-ZWKOTPCHSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054060434 1247272764 /nfs/dbraw/zinc/27/27/64/1247272764.db2.gz MSVJSUFMTOWUDC-PMACEKPBSA-N 2 0 341.499 2.447 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159241 1247563325 /nfs/dbraw/zinc/56/33/25/1247563325.db2.gz UTFPPAMUIUAVAS-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182330 1247634596 /nfs/dbraw/zinc/63/45/96/1247634596.db2.gz HRXQBIYPERMABK-TZIWHRDSSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001054296210 1248076511 /nfs/dbraw/zinc/07/65/11/1248076511.db2.gz YZUKNYRYIJFUOJ-TUNPWDSISA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676515 1254496579 /nfs/dbraw/zinc/49/65/79/1254496579.db2.gz MNHIQVMYOLEEBI-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099551796 1258200444 /nfs/dbraw/zinc/20/04/44/1258200444.db2.gz DEPOBXAGELOONT-YVSFHVDLSA-N 2 0 339.911 2.250 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001100900114 1259411310 /nfs/dbraw/zinc/41/13/10/1259411310.db2.gz QWLNAJGRORIQRZ-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C2)CC1 ZINC001185730311 1278767510 /nfs/dbraw/zinc/76/75/10/1278767510.db2.gz MTDBWAGIGLZJSC-QUCCMNQESA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185740398 1278768353 /nfs/dbraw/zinc/76/83/53/1278768353.db2.gz BUVISHSNLZCQNZ-APWZRJJASA-N 2 0 327.472 2.069 20 30 EEEDRP C=CCC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001186156965 1278977147 /nfs/dbraw/zinc/97/71/47/1278977147.db2.gz SLCCFJJVSYKXPS-ICSRJNTNSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174219 1280719688 /nfs/dbraw/zinc/71/96/88/1280719688.db2.gz DIGUWNKDQBTCEL-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194410693 1283042874 /nfs/dbraw/zinc/04/28/74/1283042874.db2.gz VDMGXVYWEFOFPQ-INIZCTEOSA-N 2 0 331.460 2.291 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196129032 1283911922 /nfs/dbraw/zinc/91/19/22/1283911922.db2.gz HJXMUAAFFVXIKG-FGTMMUONSA-N 2 0 341.540 2.239 20 30 EEEDRP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001197478038 1284623177 /nfs/dbraw/zinc/62/31/77/1284623177.db2.gz RWZNDNNFYFSFGC-UHFFFAOYSA-N 2 0 339.524 2.235 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCC1 ZINC001152480386 1285244772 /nfs/dbraw/zinc/24/47/72/1285244772.db2.gz RWTDXTVFCIXMST-FQEVSTJZSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617383 1285247021 /nfs/dbraw/zinc/24/70/21/1285247021.db2.gz OMRMXLIMBTZJBB-IAGOWNOFSA-N 2 0 331.460 2.112 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1OC ZINC001198759133 1285344026 /nfs/dbraw/zinc/34/40/26/1285344026.db2.gz CCPQYRZSAPZSBQ-MRXNPFEDSA-N 2 0 331.460 2.112 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201411430 1289560542 /nfs/dbraw/zinc/56/05/42/1289560542.db2.gz QGSXRJIRUAPIPD-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671609 1296131461 /nfs/dbraw/zinc/13/14/61/1296131461.db2.gz OIOZZSWLEIMVBM-IAGOWNOFSA-N 2 0 327.513 2.114 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001216837863 1297310127 /nfs/dbraw/zinc/31/01/27/1297310127.db2.gz WCKJVIQTCXIDGO-WAQVGJNASA-N 2 0 331.504 2.124 20 30 EEEDRP CC(C)C1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]CC1 ZINC001218552427 1297710356 /nfs/dbraw/zinc/71/03/56/1297710356.db2.gz GCNCAAAITDWCOT-UHFFFAOYSA-N 2 0 332.473 2.230 20 30 EEEDRP CC(C)[C@@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CCC[NH2+]C1 ZINC001218552657 1297710686 /nfs/dbraw/zinc/71/06/86/1297710686.db2.gz JDXXSOWWOYMNJU-QGZVFWFLSA-N 2 0 332.473 2.230 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219754505 1298134459 /nfs/dbraw/zinc/13/44/59/1298134459.db2.gz SIEPGNSNVCKHFJ-WIBUTAKZSA-N 2 0 325.456 2.081 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001220868284 1298566826 /nfs/dbraw/zinc/56/68/26/1298566826.db2.gz GABOWZOMBMQLEH-GBESFXJTSA-N 2 0 327.472 2.289 20 30 EEEDRP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099321208 1299039286 /nfs/dbraw/zinc/03/92/86/1299039286.db2.gz QMCLXZYSJCKJHQ-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099345495 1299062588 /nfs/dbraw/zinc/06/25/88/1299062588.db2.gz DDRBOLYLBFXEAA-ZIAGYGMSSA-N 2 0 333.398 2.027 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222088927 1299340423 /nfs/dbraw/zinc/34/04/23/1299340423.db2.gz ZSSUQBYRPOBQLR-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223038927 1299960496 /nfs/dbraw/zinc/96/04/96/1299960496.db2.gz ATPLQWNJFLIONU-MJGOQNOKSA-N 2 0 342.487 2.407 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001102377693 1300958210 /nfs/dbraw/zinc/95/82/10/1300958210.db2.gz CRHWIRSEQPCOQM-CPUCHLNUSA-N 2 0 348.516 2.144 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC001227473719 1301841279 /nfs/dbraw/zinc/84/12/79/1301841279.db2.gz AITWCGPCLJOCQR-SFHVURJKSA-N 2 0 345.491 2.337 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001230359598 1303177704 /nfs/dbraw/zinc/17/77/04/1303177704.db2.gz FDKJUFHJZLZWFY-UHFFFAOYSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCCC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923558 1303547782 /nfs/dbraw/zinc/54/77/82/1303547782.db2.gz IXQRROILHIBBQU-UHFFFAOYSA-N 2 0 344.503 2.452 20 30 EEEDRP N#Cc1ccnc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001232474621 1304140147 /nfs/dbraw/zinc/14/01/47/1304140147.db2.gz HCFRUOUVHFRKEU-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112104497 1304241779 /nfs/dbraw/zinc/24/17/79/1304241779.db2.gz LTONDTBKEYXEOL-KBUPBQIOSA-N 2 0 347.425 2.272 20 30 EEEDRP C=CCCC[N@@H+]1CCc2n[nH]c(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001277779257 1304396219 /nfs/dbraw/zinc/39/62/19/1304396219.db2.gz DGFKXBHTQGHNJR-UHFFFAOYSA-N 2 0 347.507 2.148 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001112399120 1304524038 /nfs/dbraw/zinc/52/40/38/1304524038.db2.gz CVHPAVCDOYNHCY-BQFCYCMXSA-N 2 0 339.911 2.297 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866278 1320296033 /nfs/dbraw/zinc/29/60/33/1320296033.db2.gz AIFZMOAFAGVYQM-VQTJNVASSA-N 2 0 339.483 2.151 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001161250954 1320434927 /nfs/dbraw/zinc/43/49/27/1320434927.db2.gz FLNIYKWADUVHLV-UHFFFAOYSA-N 2 0 333.451 2.003 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203026728 1314874123 /nfs/dbraw/zinc/87/41/23/1314874123.db2.gz ARGRLXIODGNGEW-KGLIPLIRSA-N 2 0 325.884 2.240 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(C#N)nc1 ZINC001140545751 1314902902 /nfs/dbraw/zinc/90/29/02/1314902902.db2.gz JQFPFQYPNWPPQR-UHFFFAOYSA-N 2 0 331.508 2.439 20 30 EEEDRP C#Cc1cccc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000838723247 1315185428 /nfs/dbraw/zinc/18/54/28/1315185428.db2.gz MYSUFXRBCJZSSM-UHFFFAOYSA-N 2 0 344.503 2.083 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001151132537 1316455881 /nfs/dbraw/zinc/45/58/81/1316455881.db2.gz RSKOLUHQRWFNGE-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC001152334898 1316658257 /nfs/dbraw/zinc/65/82/57/1316658257.db2.gz VBEUFEJMSDTKPI-HNNXBMFYSA-N 2 0 347.890 2.452 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256614436 1318802033 /nfs/dbraw/zinc/80/20/33/1318802033.db2.gz TVZVGOFPVHJLRY-CSNJMZFVSA-N 2 0 327.472 2.106 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158154940 1319046132 /nfs/dbraw/zinc/04/61/32/1319046132.db2.gz DCEBCDGOUGFITR-LJQANCHMSA-N 2 0 342.487 2.244 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC001158403131 1319221896 /nfs/dbraw/zinc/22/18/96/1319221896.db2.gz AISVIWIOYOQDSF-FUHWJXTLSA-N 2 0 346.450 2.024 20 30 EEEDRP C[NH+]1CCC(N(c2cc(Cl)cc(C#N)n2)C2CC[NH2+]CC2)CC1 ZINC001158575033 1319315863 /nfs/dbraw/zinc/31/58/63/1319315863.db2.gz HBYJYPBUDBWOFT-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP CSc1nc(-c2ccccc2)nc(N[C@@H]([NH3+])CCC[NH3+])c1C#N ZINC001159787207 1319990572 /nfs/dbraw/zinc/99/05/72/1319990572.db2.gz TYAATHWGFSKUAV-CYBMUJFWSA-N 2 0 328.445 2.173 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001160267133 1320116288 /nfs/dbraw/zinc/11/62/88/1320116288.db2.gz LSPNZNQYXQWRDG-IBGZPJMESA-N 2 0 345.462 2.148 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446037 1320503802 /nfs/dbraw/zinc/50/38/02/1320503802.db2.gz VUONJUFNWRANIK-RBUKOAKNSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC001161947108 1320689280 /nfs/dbraw/zinc/68/92/80/1320689280.db2.gz YGJPXZRQLOFPCB-IBGZPJMESA-N 2 0 349.494 2.218 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)(COC)CC1 ZINC001162585346 1320904617 /nfs/dbraw/zinc/90/46/17/1320904617.db2.gz GBVZIFVZGHOTGM-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001162876576 1320979652 /nfs/dbraw/zinc/97/96/52/1320979652.db2.gz KHVJNKHLIDGJAN-UHFFFAOYSA-N 2 0 341.499 2.155 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001162906265 1320985467 /nfs/dbraw/zinc/98/54/67/1320985467.db2.gz HMYJZPNXBPEICD-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162935224 1320991400 /nfs/dbraw/zinc/99/14/00/1320991400.db2.gz VERWLSXRBZSLGY-IBGZPJMESA-N 2 0 329.488 2.011 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1C#N ZINC001163328491 1321099047 /nfs/dbraw/zinc/09/90/47/1321099047.db2.gz QEGBEACYRJSRFF-HQCGTVSHSA-N 2 0 327.432 2.103 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569295 1321546916 /nfs/dbraw/zinc/54/69/16/1321546916.db2.gz VSCRVKZFNUIUKU-HNNXBMFYSA-N 2 0 327.900 2.489 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001166744080 1321779322 /nfs/dbraw/zinc/77/93/22/1321779322.db2.gz GTKZBRJUELYOAI-UHFFFAOYSA-N 2 0 330.476 2.132 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203681299 1321940022 /nfs/dbraw/zinc/94/00/22/1321940022.db2.gz UIQCQCNAZZLJAC-UHFFFAOYSA-N 2 0 345.487 2.192 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774274 1321958350 /nfs/dbraw/zinc/95/83/50/1321958350.db2.gz ZQZDBPZYVBKFPJ-OALUTQOASA-N 2 0 339.483 2.402 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307213 1322347326 /nfs/dbraw/zinc/34/73/26/1322347326.db2.gz VBTXHSUFKVLCCT-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208462692 1324510572 /nfs/dbraw/zinc/51/05/72/1324510572.db2.gz FDKLLOIDFDMGFE-KRWDZBQOSA-N 2 0 330.476 2.455 20 30 EEEDRP C=CCOCc1nn(C)c2c1C[N@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001208596438 1324580388 /nfs/dbraw/zinc/58/03/88/1324580388.db2.gz OGUTVBNOWHQASN-UHFFFAOYSA-N 2 0 332.492 2.213 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210132730 1325169878 /nfs/dbraw/zinc/16/98/78/1325169878.db2.gz HYJCGQBGEHUZOS-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210221311 1325206035 /nfs/dbraw/zinc/20/60/35/1325206035.db2.gz ZNZNXKAMUOFXIL-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(C#N)ccn3)CC2)C1 ZINC001276688785 1325405565 /nfs/dbraw/zinc/40/55/65/1325405565.db2.gz SOGIDBXAIJDLLD-UHFFFAOYSA-N 2 0 341.503 2.193 20 30 EEEDRP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001574614420 1343688993 /nfs/dbraw/zinc/68/89/93/1343688993.db2.gz AZERFUTVOZXTDG-SJORKVTESA-N 2 0 344.507 2.037 20 30 EEEDRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc(C#N)c1)C2 ZINC001121696189 1371914755 /nfs/dbraw/zinc/91/47/55/1371914755.db2.gz JFTNDOVXSLVPGJ-UHFFFAOYSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161213132 1372881414 /nfs/dbraw/zinc/88/14/14/1372881414.db2.gz GZPXQOPBDMZWGD-FQEVSTJZSA-N 2 0 349.494 2.361 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C2 ZINC001376377849 1378498711 /nfs/dbraw/zinc/49/87/11/1378498711.db2.gz NNNVEPNQNHJPRQ-MUJYYYPQSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001377706943 1379463577 /nfs/dbraw/zinc/46/35/77/1379463577.db2.gz OTQOKLPJZYFWHP-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680496 1381336918 /nfs/dbraw/zinc/33/69/18/1381336918.db2.gz YQMQDDQYYGUZGE-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001380960764 1381467289 /nfs/dbraw/zinc/46/72/89/1381467289.db2.gz JKRSEEAHAZIZBV-MRXNPFEDSA-N 2 0 336.505 2.240 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001752743857 1406371130 /nfs/dbraw/zinc/37/11/30/1406371130.db2.gz QUNRLUSGGGLEDY-HRCADAONSA-N 2 0 339.443 2.472 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392077607 1389800141 /nfs/dbraw/zinc/80/01/41/1389800141.db2.gz NUMHXIAKLZLDRM-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(C)C)C2)CC1 ZINC001752984133 1406589008 /nfs/dbraw/zinc/58/90/08/1406589008.db2.gz VBSUELMIBPXKMI-MOPGFXCFSA-N 2 0 333.520 2.395 20 30 EEEDRP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC001399495743 1395162626 /nfs/dbraw/zinc/16/26/26/1395162626.db2.gz BIFUBKZVOUMWHN-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001423682468 1400742709 /nfs/dbraw/zinc/74/27/09/1400742709.db2.gz MRIFDZRPNVIMMT-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001425524212 1401594924 /nfs/dbraw/zinc/59/49/24/1401594924.db2.gz QHNROIZDKJGBLC-UONOGXRCSA-N 2 0 346.313 2.062 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001425969651 1401824085 /nfs/dbraw/zinc/82/40/85/1401824085.db2.gz PVAUIQOSENRTDE-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001755216880 1407228984 /nfs/dbraw/zinc/22/89/84/1407228984.db2.gz QMSYQFLSWDYUQL-UHFFFAOYSA-N 2 0 345.462 2.003 20 30 EEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755566866 1407637972 /nfs/dbraw/zinc/63/79/72/1407637972.db2.gz CEOGFYIHSHKNEB-APWZRJJASA-N 2 0 337.483 2.049 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001755619258 1407687758 /nfs/dbraw/zinc/68/77/58/1407687758.db2.gz VATGRCLZDGSTCT-QZTJIDSGSA-N 2 0 335.536 2.450 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]21 ZINC001755708360 1407761868 /nfs/dbraw/zinc/76/18/68/1407761868.db2.gz LWKRFMXIDOVWID-GBESFXJTSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC1(C)C ZINC001755761573 1407820867 /nfs/dbraw/zinc/82/08/67/1407820867.db2.gz KKMGAWFAADXHSS-IBGZPJMESA-N 2 0 341.499 2.011 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232306 1410217807 /nfs/dbraw/zinc/21/78/07/1410217807.db2.gz DNGDDEUJWQDLAI-UFQJCFOOSA-N 2 0 331.504 2.005 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206952334 757618686 /nfs/dbraw/zinc/61/86/86/757618686.db2.gz KRMYRQRDALWEHR-UHFFFAOYSA-N 2 0 346.313 2.063 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001075390937 757892600 /nfs/dbraw/zinc/89/26/00/757892600.db2.gz RAZPJPNDXHZZPS-MJGOQNOKSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001075454309 760712036 /nfs/dbraw/zinc/71/20/36/760712036.db2.gz QIUANGBLOZJPLA-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001104683596 764747870 /nfs/dbraw/zinc/74/78/70/764747870.db2.gz NCKQHDPCFMVYIN-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCC3)C2)CC1 ZINC001105062545 768971756 /nfs/dbraw/zinc/97/17/56/768971756.db2.gz WUZUZJRUHGFOMR-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494409 769340220 /nfs/dbraw/zinc/34/02/20/769340220.db2.gz NKYPIOKEUHDMMT-AOCRQIFASA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088164087 783008817 /nfs/dbraw/zinc/00/88/17/783008817.db2.gz UWXIKMSGGAJEPN-UXHICEINSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980221679 774114470 /nfs/dbraw/zinc/11/44/70/774114470.db2.gz RVXIAKFKQUPFIN-XUVXKRRUSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216246 774126285 /nfs/dbraw/zinc/12/62/85/774126285.db2.gz RBBBRTJKBBYMTJ-XHSDSOJGSA-N 2 0 337.895 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(=C)C)C[C@H]3C2)CC1 ZINC000980255833 774198801 /nfs/dbraw/zinc/19/88/01/774198801.db2.gz PNYWIDFGYAZWGA-XUVXKRRUSA-N 2 0 343.515 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCC=C)C[C@H]3C2)CC1 ZINC000980258519 774204182 /nfs/dbraw/zinc/20/41/82/774204182.db2.gz WJJXBNWMCSUSBI-VAMGGRTRSA-N 2 0 343.515 2.124 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779427 783190681 /nfs/dbraw/zinc/19/06/81/783190681.db2.gz ORPCXVSFLZEHRH-AKHDSKFASA-N 2 0 333.520 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC000980816695 775707298 /nfs/dbraw/zinc/70/72/98/775707298.db2.gz UPJBGRWUPCXYGL-PKOBYXMFSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813457 778260045 /nfs/dbraw/zinc/26/00/45/778260045.db2.gz KMMBKDUXTDEICC-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2occc2C[NH+](C)C)C1 ZINC001089856653 778337250 /nfs/dbraw/zinc/33/72/50/778337250.db2.gz ULSNNUHKEUBUNM-DKIMLUQUSA-N 2 0 343.471 2.310 20 30 EEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473427 779096340 /nfs/dbraw/zinc/09/63/40/779096340.db2.gz WGJMIEQILPTBIY-YSIASYRMSA-N 2 0 333.520 2.465 20 30 EEEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236892800 779965031 /nfs/dbraw/zinc/96/50/31/779965031.db2.gz OFNPNUXYBNHKGN-SJORKVTESA-N 2 0 330.476 2.093 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203437877 781590576 /nfs/dbraw/zinc/59/05/76/781590576.db2.gz VPXQUTFUAVLJOM-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135436902 783766327 /nfs/dbraw/zinc/76/63/27/783766327.db2.gz FIDUXQNHJDVNFR-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)C(C)C ZINC001135477577 783868153 /nfs/dbraw/zinc/86/81/53/783868153.db2.gz JXJZXJQBRMHPAO-SFHVURJKSA-N 2 0 330.476 2.130 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195793 784089058 /nfs/dbraw/zinc/08/90/58/784089058.db2.gz KFECPDVIJLWRLP-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135927601 784809304 /nfs/dbraw/zinc/80/93/04/784809304.db2.gz JBUYDPHWCVJMPK-IAGOWNOFSA-N 2 0 329.529 2.408 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@H](C)CC)C2)CC1 ZINC001035724500 785022530 /nfs/dbraw/zinc/02/25/30/785022530.db2.gz JKSRUVXXRCAJMM-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCC(C)C)C3)CC2)CC1 ZINC001035857555 785298851 /nfs/dbraw/zinc/29/88/51/785298851.db2.gz WCSHYHARBDUVQP-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036130728 785886838 /nfs/dbraw/zinc/88/68/38/785886838.db2.gz IISQZWBOBBZCCJ-DZGCQCFKSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036224847 786055681 /nfs/dbraw/zinc/05/56/81/786055681.db2.gz MBIOUBYEKPOPFZ-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996730396 787329518 /nfs/dbraw/zinc/32/95/18/787329518.db2.gz SAXIEARMJFBKCK-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000997185226 789377669 /nfs/dbraw/zinc/37/76/69/789377669.db2.gz ZLJIJNFCYRJFRU-RHSMWYFYSA-N 2 0 342.487 2.063 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946901869 789566203 /nfs/dbraw/zinc/56/62/03/789566203.db2.gz GXVWQYCKVVEMKZ-CADBVGFASA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908302 789783354 /nfs/dbraw/zinc/78/33/54/789783354.db2.gz SNOBTSQNZKHPNA-MANSERQUSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CCOc1ccc(-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)c(F)c1 ZINC001212170965 789860381 /nfs/dbraw/zinc/86/03/81/789860381.db2.gz NVHJZUCXPRZOAF-UHFFFAOYSA-N 2 0 332.379 2.064 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC(C)C)CC2)CC1 ZINC000997874424 791328984 /nfs/dbraw/zinc/32/89/84/791328984.db2.gz MUMKEBTWOBLCPH-KRWDZBQOSA-N 2 0 333.520 2.204 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594829 791366548 /nfs/dbraw/zinc/36/65/48/791366548.db2.gz VHRVLCRRQQXLGL-ROUUACIJSA-N 2 0 329.488 2.251 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F)CC1 ZINC001146611633 791374965 /nfs/dbraw/zinc/37/49/65/791374965.db2.gz NDGIEINPTGLCFE-KGLIPLIRSA-N 2 0 347.425 2.157 20 30 EEEDRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000998086697 791932727 /nfs/dbraw/zinc/93/27/27/791932727.db2.gz RBIZZHWYQNPXPF-KRWDZBQOSA-N 2 0 348.516 2.288 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902740 806179148 /nfs/dbraw/zinc/17/91/48/806179148.db2.gz YNLNLERPNDYMCK-FPAYPSAMSA-N 2 0 349.519 2.173 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)C3)C2)CC1 ZINC001086882376 792892645 /nfs/dbraw/zinc/89/26/45/792892645.db2.gz OIIFCBRLKFVNEY-PAQOUXTFSA-N 2 0 345.531 2.252 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927106 793006221 /nfs/dbraw/zinc/00/62/21/793006221.db2.gz SEVNIVYOPDJBMQ-KRWDZBQOSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171358904 793128559 /nfs/dbraw/zinc/12/85/59/793128559.db2.gz NCZDWGLZLHHTJG-SJORKVTESA-N 2 0 327.513 2.040 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992301034 793575105 /nfs/dbraw/zinc/57/51/05/793575105.db2.gz NRCUJEDDNUHPQJ-CMKODMSKSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@]2(C)C1 ZINC001092232828 793702508 /nfs/dbraw/zinc/70/25/08/793702508.db2.gz CZULVPOCLABFRM-HOJAQTOUSA-N 2 0 331.504 2.219 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261661363 794093958 /nfs/dbraw/zinc/09/39/58/794093958.db2.gz AUPAXRXHZWBZCH-RGIVZKHGSA-N 2 0 326.488 2.265 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737133 794694106 /nfs/dbraw/zinc/69/41/06/794694106.db2.gz MDODZAZGXOHBHW-HOCLYGCPSA-N 2 0 325.884 2.146 20 30 EEEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754944 794784529 /nfs/dbraw/zinc/78/45/29/794784529.db2.gz OGXCKMUQETZJQP-FUHWJXTLSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106313261 795387406 /nfs/dbraw/zinc/38/74/06/795387406.db2.gz UQWVLBNVJKBJTR-GDBMZVCRSA-N 2 0 339.911 2.299 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001000217500 795557820 /nfs/dbraw/zinc/55/78/20/795557820.db2.gz HFVCQZZOWULRTM-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960122 795619004 /nfs/dbraw/zinc/61/90/04/795619004.db2.gz YOKNQPCOCGRIEV-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC001094557208 796433616 /nfs/dbraw/zinc/43/36/16/796433616.db2.gz MLCONWGGAZHHNA-TZIWHRDSSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H]1C ZINC000994141827 797357272 /nfs/dbraw/zinc/35/72/72/797357272.db2.gz ADWHJGYFSJOBDY-QFBILLFUSA-N 2 0 336.439 2.478 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175387797 798092222 /nfs/dbraw/zinc/09/22/22/798092222.db2.gz CEFHBOZLGLPONN-SXLOBPIMSA-N 2 0 341.499 2.230 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346754 798161395 /nfs/dbraw/zinc/16/13/95/798161395.db2.gz ZNZNPLTUBSWNMH-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176844259 798587980 /nfs/dbraw/zinc/58/79/80/798587980.db2.gz HNGMDKOCOHMMCT-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001176926666 798631039 /nfs/dbraw/zinc/63/10/39/798631039.db2.gz SGVBOUSJWBSSTN-UHFFFAOYSA-N 2 0 347.890 2.281 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101469 798674763 /nfs/dbraw/zinc/67/47/63/798674763.db2.gz MKLPTOMFVBFLFQ-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001177342375 798876449 /nfs/dbraw/zinc/87/64/49/798876449.db2.gz LLTSYPRILQNKDE-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP CCCCCCC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203355413 799150293 /nfs/dbraw/zinc/15/02/93/799150293.db2.gz SZMKULZPVAUZSL-UHFFFAOYSA-N 2 0 327.513 2.116 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180352883 800373741 /nfs/dbraw/zinc/37/37/41/800373741.db2.gz XKUCGMDMXUTYSJ-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)s1 ZINC001085423418 800482839 /nfs/dbraw/zinc/48/28/39/800482839.db2.gz OSWTYTSUDCQVNX-IAGOWNOFSA-N 2 0 346.500 2.233 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC(CC)CC)CC2)CC1 ZINC001004202218 801255302 /nfs/dbraw/zinc/25/53/02/801255302.db2.gz WEXKZZLCLAJRFQ-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591101 801597225 /nfs/dbraw/zinc/59/72/25/801597225.db2.gz NXUGMHHESRAAHA-OTWHNJEPSA-N 2 0 331.504 2.075 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478931 802182326 /nfs/dbraw/zinc/18/23/26/802182326.db2.gz ZAVDJSUIYWRWBA-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621095 802255409 /nfs/dbraw/zinc/25/54/09/802255409.db2.gz KAFMJGLLDBLCRI-CEXWTWQISA-N 2 0 333.520 2.321 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521063 802282379 /nfs/dbraw/zinc/28/23/79/802282379.db2.gz FKMXBJOXNNVQGM-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082501 802954806 /nfs/dbraw/zinc/95/48/06/802954806.db2.gz COMJAPMCJMVINJ-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001108280708 803077483 /nfs/dbraw/zinc/07/74/83/803077483.db2.gz XPZAIWHIFDNAKU-FQEVSTJZSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287371 803187050 /nfs/dbraw/zinc/18/70/50/803187050.db2.gz RQBPCOWWDIDNMU-LJQANCHMSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349471 803336739 /nfs/dbraw/zinc/33/67/39/803336739.db2.gz HDYAZSFSNXRNPK-HKUYNNGSSA-N 2 0 339.524 2.280 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108696474 804374164 /nfs/dbraw/zinc/37/41/64/804374164.db2.gz CZJRNKDALIRKHB-UAGQMJEPSA-N 2 0 345.512 2.416 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001131464579 812865581 /nfs/dbraw/zinc/86/55/81/812865581.db2.gz WGCHHAYRWMAZBZ-QYZOEREBSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001131512031 812928511 /nfs/dbraw/zinc/92/85/11/812928511.db2.gz JYTDBNQDDXIYPA-QUCCMNQESA-N 2 0 349.519 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323968 1089488585 /nfs/dbraw/zinc/48/85/85/1089488585.db2.gz DXTAURZSMRETAI-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937058 1096130407 /nfs/dbraw/zinc/13/04/07/1096130407.db2.gz RRGDGEYTAZWNKK-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001494916996 1104554227 /nfs/dbraw/zinc/55/42/27/1104554227.db2.gz FFRPBGYBPKPUMO-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001507287143 1115175056 /nfs/dbraw/zinc/17/50/56/1115175056.db2.gz DPZCHIFNLRZRFU-FUHWJXTLSA-N 2 0 349.906 2.492 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671585 782046834 /nfs/dbraw/zinc/04/68/34/782046834.db2.gz FTGHYADICSOMCF-RBUKOAKNSA-N 2 0 327.472 2.007 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879079 465075267 /nfs/dbraw/zinc/07/52/67/465075267.db2.gz LCUACGSMEYKWMK-NJAFHUGGSA-N 2 0 331.460 2.103 20 30 EEEDRP N#CCC[C@@H](C#N)CNCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000578860576 468270168 /nfs/dbraw/zinc/27/01/68/468270168.db2.gz XPAPOFONJIEKIC-SFHVURJKSA-N 2 0 325.460 2.232 20 30 EEEDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000056523523 463407868 /nfs/dbraw/zinc/40/78/68/463407868.db2.gz NDYAKIUPTNVSKO-LJQANCHMSA-N 2 0 345.487 2.156 20 30 EEEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N(C)Cc1cc(Cl)cn1C ZINC000261983631 463917115 /nfs/dbraw/zinc/91/71/15/463917115.db2.gz PNJXEDAHAUWMGY-UHFFFAOYSA-N 2 0 339.915 2.418 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000262376440 464014156 /nfs/dbraw/zinc/01/41/56/464014156.db2.gz JPRGMHCICIQEAM-QFBILLFUSA-N 2 0 326.488 2.409 20 30 EEEDRP C=CC[NH+]1CCC(NC(NC[C@@H]2CCOc3ccccc32)=[NH+]C)CC1 ZINC000262802274 464047056 /nfs/dbraw/zinc/04/70/56/464047056.db2.gz RMKMQKKMCWPMKK-INIZCTEOSA-N 2 0 342.487 2.368 20 30 EEEDRP C[NH+](C)CCCOc1cnccc1CNC(=[NH2+])NC1CCCCC1 ZINC000288681729 464055295 /nfs/dbraw/zinc/05/52/95/464055295.db2.gz IUENGFWMFCFCDN-UHFFFAOYSA-N 2 0 333.480 2.149 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264425699 464321666 /nfs/dbraw/zinc/32/16/66/464321666.db2.gz SHZFTLLBOQAVOT-LJQANCHMSA-N 2 0 342.487 2.211 20 30 EEEDRP C=C[C@](C)(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276083682 464803453 /nfs/dbraw/zinc/80/34/53/464803453.db2.gz GWUCGEPMVHOGQA-LJQANCHMSA-N 2 0 330.476 2.312 20 30 EEEDRP CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000329792905 465436381 /nfs/dbraw/zinc/43/63/81/465436381.db2.gz AMESRLMOSXSAMM-BZUAXINKSA-N 2 0 333.480 2.479 20 30 EEEDRP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1C#N ZINC000343800712 465555035 /nfs/dbraw/zinc/55/50/35/465555035.db2.gz ZCXQNCVIZWLGNZ-OLZOCXBDSA-N 2 0 348.451 2.190 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000374172786 467022761 /nfs/dbraw/zinc/02/27/61/467022761.db2.gz LWTSRGNKQGQCBG-GOSISDBHSA-N 2 0 343.471 2.106 20 30 EEEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583508551 468708703 /nfs/dbraw/zinc/70/87/03/468708703.db2.gz NNCPJFVJQUSLAP-IBGZPJMESA-N 2 0 342.487 2.202 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)C(C)C ZINC000572847602 469008687 /nfs/dbraw/zinc/00/86/87/469008687.db2.gz IMYJFFSRJDVJRU-SFHVURJKSA-N 2 0 336.524 2.455 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669465272 471507302 /nfs/dbraw/zinc/50/73/02/471507302.db2.gz OSGHAXFEBWSMLP-SJORKVTESA-N 2 0 334.508 2.058 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087734986 782155698 /nfs/dbraw/zinc/15/56/98/782155698.db2.gz JUSVHRNLIRMAOA-FUMNGEBKSA-N 2 0 341.499 2.487 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000729942778 576696789 /nfs/dbraw/zinc/69/67/89/576696789.db2.gz RHTHFXTXARDKOU-UHFFFAOYSA-N 2 0 326.554 2.079 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001020396379 674608574 /nfs/dbraw/zinc/60/85/74/674608574.db2.gz QVCGTIOUGGLKBS-IYARVYRRSA-N 2 0 345.406 2.257 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120316655 674904673 /nfs/dbraw/zinc/90/46/73/674904673.db2.gz GMAMOMBHQIVLQA-KSZLIROESA-N 2 0 341.499 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)CC)CC1 ZINC001021469460 676117869 /nfs/dbraw/zinc/11/78/69/676117869.db2.gz DEARVPDTMNERIO-OHSMVPPVSA-N 2 0 345.531 2.489 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000970799712 676157429 /nfs/dbraw/zinc/15/74/29/676157429.db2.gz HDDZPMGXTUTZDG-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139218 675643147 /nfs/dbraw/zinc/64/31/47/675643147.db2.gz FRMGWRRJFDPRTG-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155822 675718268 /nfs/dbraw/zinc/71/82/68/675718268.db2.gz DRQYGRWDLCEWJA-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845676 676881850 /nfs/dbraw/zinc/88/18/50/676881850.db2.gz YQJKDZWANNAMNV-JKSUJKDBSA-N 2 0 327.900 2.392 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588970 679398206 /nfs/dbraw/zinc/39/82/06/679398206.db2.gz QGDRBEDPALEQRK-LJQANCHMSA-N 2 0 341.499 2.256 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC(C)C2)CC1 ZINC001024813293 681466239 /nfs/dbraw/zinc/46/62/39/681466239.db2.gz YNQLMJCMSFXEMU-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262344628 685461471 /nfs/dbraw/zinc/46/14/71/685461471.db2.gz DDYWAKSWDNBAQP-KSZLIROESA-N 2 0 348.535 2.372 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001024999090 681697708 /nfs/dbraw/zinc/69/77/08/681697708.db2.gz RFTMJCUHENCVLY-RTBURBONSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259427 682338408 /nfs/dbraw/zinc/33/84/08/682338408.db2.gz NGFSZZLRQZPTHA-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451520 682785914 /nfs/dbraw/zinc/78/59/14/682785914.db2.gz HRHSLUNXAUAINL-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001025577136 683034450 /nfs/dbraw/zinc/03/44/50/683034450.db2.gz QHZPZDLFPQZQLU-CVEARBPZSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978639491 693764469 /nfs/dbraw/zinc/76/44/69/693764469.db2.gz OSBKKSOWLJMCGU-YSTOQKLRSA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]12 ZINC001026341361 684343675 /nfs/dbraw/zinc/34/36/75/684343675.db2.gz ZSJUURIKIGANST-DJIMGWMZSA-N 2 0 331.460 2.358 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975062786 686091020 /nfs/dbraw/zinc/09/10/20/686091020.db2.gz ONIRQMRVPNCWSP-LJQANCHMSA-N 2 0 341.499 2.254 20 30 EEEDRP C[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327034 686327574 /nfs/dbraw/zinc/32/75/74/686327574.db2.gz ANYPGSZUXFABAV-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC(O)CC1 ZINC000262796548 688485274 /nfs/dbraw/zinc/48/52/74/688485274.db2.gz PPPYSSPNMACMBT-QGZVFWFLSA-N 2 0 336.524 2.063 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000986547670 688685403 /nfs/dbraw/zinc/68/54/03/688685403.db2.gz HDCSZNNWVNTZTQ-GDBMZVCRSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@@H]2C)CC1 ZINC000987571932 689847720 /nfs/dbraw/zinc/84/77/20/689847720.db2.gz RGTKNXHKNMIDIK-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCC3CCCC3)CC2)CC1 ZINC000989734954 692230870 /nfs/dbraw/zinc/23/08/70/692230870.db2.gz LSQFCTRKKZVXTK-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622784 692857815 /nfs/dbraw/zinc/85/78/15/692857815.db2.gz SNRWPKRNCSPTLN-SFHVURJKSA-N 2 0 327.472 2.212 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001107039306 1192995934 /nfs/dbraw/zinc/99/59/34/1192995934.db2.gz QLPDCVAQRLYERA-VQIMIIECSA-N 2 0 342.487 2.083 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001105444308 1187182328 /nfs/dbraw/zinc/18/23/28/1187182328.db2.gz DIBCKWTWPCJCPW-RVWIWJKTSA-N 2 0 339.483 2.074 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105566237 1188185860 /nfs/dbraw/zinc/18/58/60/1188185860.db2.gz HHHYPYBWCJNNHJ-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737418 1188397758 /nfs/dbraw/zinc/39/77/58/1188397758.db2.gz SWJANCPMNHVUSB-ZBFHGGJFSA-N 2 0 325.416 2.036 20 30 EEEDRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001272888261 1193592113 /nfs/dbraw/zinc/59/21/13/1193592113.db2.gz SYECBCYURNJGLM-IBGZPJMESA-N 2 0 332.492 2.089 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483266190 1190291347 /nfs/dbraw/zinc/29/13/47/1190291347.db2.gz GIOUYROKNSTEKQ-HNNXBMFYSA-N 2 0 330.476 2.130 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485264216 1191710171 /nfs/dbraw/zinc/71/01/71/1191710171.db2.gz CVZAMFWVLZKNCU-SFHVURJKSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045243 1195697196 /nfs/dbraw/zinc/69/71/96/1195697196.db2.gz IXQZXCQVKQSHBQ-IBGZPJMESA-N 2 0 327.472 2.308 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405868 1196177855 /nfs/dbraw/zinc/17/78/55/1196177855.db2.gz VZUYULQPMLMTEQ-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001034539201 1196363901 /nfs/dbraw/zinc/36/39/01/1196363901.db2.gz XLIXWGJCCWPOQH-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584516 1199673468 /nfs/dbraw/zinc/67/34/68/1199673468.db2.gz UVEXKRXDYYITCT-UONOGXRCSA-N 2 0 348.516 2.477 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937194 1200212172 /nfs/dbraw/zinc/21/21/72/1200212172.db2.gz IIBYBCXUBJNKFB-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC001275034998 1205240811 /nfs/dbraw/zinc/24/08/11/1205240811.db2.gz UZTSOIFTXUIVCJ-UHFFFAOYSA-N 2 0 341.503 2.193 20 30 EEEDRP Cc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C#N)c1 ZINC001275617255 1205447050 /nfs/dbraw/zinc/44/70/50/1205447050.db2.gz UNENVNURCRRJRF-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001275828913 1205554036 /nfs/dbraw/zinc/55/40/36/1205554036.db2.gz LZQKJRDXLXLQRB-HXUWFJFHSA-N 2 0 326.488 2.408 20 30 EEEDRP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925936385 1206171588 /nfs/dbraw/zinc/17/15/88/1206171588.db2.gz NQXABKRDSSHODZ-WMZOPIPTSA-N 2 0 344.503 2.193 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908773 1208771237 /nfs/dbraw/zinc/77/12/37/1208771237.db2.gz VHCIPYCEFJFAAS-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006440523 1209575043 /nfs/dbraw/zinc/57/50/43/1209575043.db2.gz XUGHYBRPJJFETI-UHFFFAOYSA-N 2 0 327.472 2.308 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCO2 ZINC000949250867 1209594460 /nfs/dbraw/zinc/59/44/60/1209594460.db2.gz BIPIMFSFCGNJHD-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000779791391 1210973861 /nfs/dbraw/zinc/97/38/61/1210973861.db2.gz IMJXKXQMVDRLMU-ZDUSSCGKSA-N 2 0 329.448 2.039 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605468 1215249948 /nfs/dbraw/zinc/24/99/48/1215249948.db2.gz DIICTMUXNHONCH-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961192877 1217080218 /nfs/dbraw/zinc/08/02/18/1217080218.db2.gz DBEUAZVZGIVNIM-RBUKOAKNSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961342312 1217150236 /nfs/dbraw/zinc/15/02/36/1217150236.db2.gz LYCLFEDHDFXMGF-BWTSREIZSA-N 2 0 327.472 2.027 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961372437 1217162591 /nfs/dbraw/zinc/16/25/91/1217162591.db2.gz DLYXHZIOQHTAGM-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961391736 1217171684 /nfs/dbraw/zinc/17/16/84/1217171684.db2.gz KLUCJOWJUIVLJK-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410404 1217179500 /nfs/dbraw/zinc/17/95/00/1217179500.db2.gz HNKARFUJIZGFIM-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432209 1217187875 /nfs/dbraw/zinc/18/78/75/1217187875.db2.gz PNXKDCGAPLERPM-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CCF)C2)CC1 ZINC000963431632 1217625014 /nfs/dbraw/zinc/62/50/14/1217625014.db2.gz XRYPINWLZHMFQC-RTBURBONSA-N 2 0 349.494 2.004 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016863954 1226930271 /nfs/dbraw/zinc/93/02/71/1226930271.db2.gz XKMIPNUYECMUAD-MRXNPFEDSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016891934 1226949109 /nfs/dbraw/zinc/94/91/09/1226949109.db2.gz JHUHEJFPRXPVEL-INIZCTEOSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916661 1226969020 /nfs/dbraw/zinc/96/90/20/1226969020.db2.gz UZZVBSXTWSUIJI-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C/C=C/Cl)CC3)CC1 ZINC001016984578 1227014453 /nfs/dbraw/zinc/01/44/53/1227014453.db2.gz FHPHGQSOPZYSKC-DLGAGEGBSA-N 2 0 349.906 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C)cc2)CC1 ZINC001039041804 1230257975 /nfs/dbraw/zinc/25/79/75/1230257975.db2.gz GZDQNRMQKZLMMI-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCC2)CC1 ZINC001039042658 1230259024 /nfs/dbraw/zinc/25/90/24/1230259024.db2.gz VNVGHCQCYUXMQO-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137351 1230349791 /nfs/dbraw/zinc/34/97/91/1230349791.db2.gz GTCPDDWVLBPWLM-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165245 1230387386 /nfs/dbraw/zinc/38/73/86/1230387386.db2.gz LDPRCTKVEVECQG-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165938 1230388362 /nfs/dbraw/zinc/38/83/62/1230388362.db2.gz VACZFQSGNFSYPL-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182210 1230409333 /nfs/dbraw/zinc/40/93/33/1230409333.db2.gz LCSHGQDUMBINOU-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039288632 1230510466 /nfs/dbraw/zinc/51/04/66/1230510466.db2.gz CMPRDMXFWKPGTH-MSRNWOCLSA-N 2 0 331.504 2.384 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039398098 1230581002 /nfs/dbraw/zinc/58/10/02/1230581002.db2.gz LGDGGCBWYIWEKK-CEXWTWQISA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039437763 1230610010 /nfs/dbraw/zinc/61/00/10/1230610010.db2.gz WWRYPSWLAAXQGR-FUHIMQAGSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C(C)C)C3)CC1 ZINC001040542767 1231283728 /nfs/dbraw/zinc/28/37/28/1231283728.db2.gz LIDVBGUOHRHOKR-FQEVSTJZSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875353 1231393155 /nfs/dbraw/zinc/39/31/55/1231393155.db2.gz ZNFVGHZZQDXSSS-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)C[C@@H]2C)CC1 ZINC001044872557 1233332300 /nfs/dbraw/zinc/33/23/00/1233332300.db2.gz SOOPDMIYTZHISD-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001044879134 1233338513 /nfs/dbraw/zinc/33/85/13/1233338513.db2.gz OANIDWJANMKMFE-HZPDHXFCSA-N 2 0 331.460 2.337 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001045671193 1233898344 /nfs/dbraw/zinc/89/83/44/1233898344.db2.gz FPNIVDFORGZFLK-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673964 1233899317 /nfs/dbraw/zinc/89/93/17/1233899317.db2.gz ZZNSXLJTWCIVEG-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673625 1233899348 /nfs/dbraw/zinc/89/93/48/1233899348.db2.gz VTZRCYNPYYGQQA-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951106 1234217458 /nfs/dbraw/zinc/21/74/58/1234217458.db2.gz UGDCPYRQWSBHIZ-HXUWFJFHSA-N 2 0 343.515 2.343 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980415 1234271329 /nfs/dbraw/zinc/27/13/29/1234271329.db2.gz YCDLFIZSCLLQKQ-FQEVSTJZSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255386 1235759126 /nfs/dbraw/zinc/75/91/26/1235759126.db2.gz YELUXWNRWPRUDY-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975224 1239632665 /nfs/dbraw/zinc/63/26/65/1239632665.db2.gz SFYURDIJOOEQIN-GASCZTMLSA-N 2 0 325.884 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477884 1241073078 /nfs/dbraw/zinc/07/30/78/1241073078.db2.gz JUJDVRSYGYVPMW-ROUUACIJSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001466670 1242326978 /nfs/dbraw/zinc/32/69/78/1242326978.db2.gz DDGAQYBXQPRXNF-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079641 1243676468 /nfs/dbraw/zinc/67/64/68/1243676468.db2.gz MHXWSUXENMTBPP-AFYVEPGGSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050545166 1243818911 /nfs/dbraw/zinc/81/89/11/1243818911.db2.gz YGWZJERRXRJNCJ-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957271 1245555220 /nfs/dbraw/zinc/55/52/20/1245555220.db2.gz DPYYBMMTYPIJJA-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342916 1245687722 /nfs/dbraw/zinc/68/77/22/1245687722.db2.gz UMVMJFKNBUBFJI-SCTDSRPQSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101428925 1245810187 /nfs/dbraw/zinc/81/01/87/1245810187.db2.gz SQWPCOXCGBEPCM-SBHAEUEKSA-N 2 0 339.483 2.093 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001101568335 1245971704 /nfs/dbraw/zinc/97/17/04/1245971704.db2.gz ZFWCHFPZHBIXHW-UHFFFAOYSA-N 2 0 345.487 2.442 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384996 1247167526 /nfs/dbraw/zinc/16/75/26/1247167526.db2.gz FODQLUZYVZDHHK-HOTGVXAUSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438853 1247285400 /nfs/dbraw/zinc/28/54/00/1247285400.db2.gz CVKIPMZHAARUKM-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243784 1247855325 /nfs/dbraw/zinc/85/53/25/1247855325.db2.gz OBTCXYKKFMRHDO-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245601 1247861779 /nfs/dbraw/zinc/86/17/79/1247861779.db2.gz WNECTLUGHDKEDB-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281490 1248000179 /nfs/dbraw/zinc/00/01/79/1248000179.db2.gz MYSOFZDZMQOICH-BEFAXECRSA-N 2 0 327.472 2.392 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101027545 1259582960 /nfs/dbraw/zinc/58/29/60/1259582960.db2.gz IEODXTAHQIAKJT-UHFFFAOYSA-N 2 0 345.487 2.049 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298858 1278315485 /nfs/dbraw/zinc/31/54/85/1278315485.db2.gz PYMMPXYPDZTZMD-JKSUJKDBSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709640 1278760552 /nfs/dbraw/zinc/76/05/52/1278760552.db2.gz KNEQIJHXVZLXEB-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186622446 1279160775 /nfs/dbraw/zinc/16/07/75/1279160775.db2.gz KVNMKEZUVITPRM-QGZVFWFLSA-N 2 0 339.524 2.258 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673927 1279983641 /nfs/dbraw/zinc/98/36/41/1279983641.db2.gz VLVLWZOTODEGKA-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001196163207 1283929546 /nfs/dbraw/zinc/92/95/46/1283929546.db2.gz ITEUDHGPXYVMTL-LJQANCHMSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1OC ZINC001198960854 1285444153 /nfs/dbraw/zinc/44/41/53/1285444153.db2.gz OHBRFAXUPSBAQW-KRWDZBQOSA-N 2 0 343.471 2.114 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801664 1289758368 /nfs/dbraw/zinc/75/83/68/1289758368.db2.gz MJXGDRLUYXORPP-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871675 1289794429 /nfs/dbraw/zinc/79/44/29/1289794429.db2.gz KFDPBEBDWNNUPY-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC(C)C)C2)CC1 ZINC001072095701 1295238236 /nfs/dbraw/zinc/23/82/36/1295238236.db2.gz MXGQQJYSDQLOKS-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344721 1298368547 /nfs/dbraw/zinc/36/85/47/1298368547.db2.gz HJXMUAAFFVXIKG-SQNIBIBYSA-N 2 0 341.540 2.239 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202058 1298703141 /nfs/dbraw/zinc/70/31/41/1298703141.db2.gz RHJHEFPMAHTTOF-DKSSEZFCSA-N 2 0 331.435 2.276 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662209 1298979308 /nfs/dbraw/zinc/97/93/08/1298979308.db2.gz BPETWBCAHSOEIR-SJLPKXTDSA-N 2 0 328.460 2.017 20 30 EEEDRP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354740 1299079084 /nfs/dbraw/zinc/07/90/84/1299079084.db2.gz VKFVOSCQXVIKOB-KRWDZBQOSA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521396 1299179674 /nfs/dbraw/zinc/17/96/74/1299179674.db2.gz QOPICIZKUZQPPB-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001099548756 1299209765 /nfs/dbraw/zinc/20/97/65/1299209765.db2.gz ZYYCBLLVRJIWBI-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200374 1300014542 /nfs/dbraw/zinc/01/45/42/1300014542.db2.gz LAYUEDMQSDCPIU-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102473869 1301117363 /nfs/dbraw/zinc/11/73/63/1301117363.db2.gz UHZZTBQJHBHFJF-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001229243515 1302694317 /nfs/dbraw/zinc/69/43/17/1302694317.db2.gz OHNGUKIKECIHQS-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230575514 1303288789 /nfs/dbraw/zinc/28/87/89/1303288789.db2.gz OXEDJSOEHYBUPC-SFHVURJKSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccnc1 ZINC001230810615 1303475326 /nfs/dbraw/zinc/47/53/26/1303475326.db2.gz GZOCTPGCFBHDMW-UHFFFAOYSA-N 2 0 344.503 2.450 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849252 1303500933 /nfs/dbraw/zinc/50/09/33/1303500933.db2.gz LOPRIEMSSNCKQK-SFHVURJKSA-N 2 0 332.492 2.306 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001112379010 1304507463 /nfs/dbraw/zinc/50/74/63/1304507463.db2.gz NGRAHWJUAJPNCW-BQFCYCMXSA-N 2 0 325.472 2.071 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591872 1305464470 /nfs/dbraw/zinc/46/44/70/1305464470.db2.gz JKCUVXYRMSGYCQ-QZTJIDSGSA-N 2 0 331.504 2.435 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001122039418 1310206542 /nfs/dbraw/zinc/20/65/42/1310206542.db2.gz MDLZDJKHYUSXNR-UHFFFAOYSA-N 2 0 343.515 2.149 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122573 1315666024 /nfs/dbraw/zinc/66/60/24/1315666024.db2.gz GVGSDOQARJTTPB-MSOLQXFVSA-N 2 0 336.439 2.297 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001149818208 1316055534 /nfs/dbraw/zinc/05/55/34/1316055534.db2.gz QLAPEZIYFQVZOE-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001150452557 1316267490 /nfs/dbraw/zinc/26/74/90/1316267490.db2.gz GITRWYUSUQZAAX-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451860 1316267682 /nfs/dbraw/zinc/26/76/82/1316267682.db2.gz ARYZCKTYTAGLAK-ROUUACIJSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452631 1316268019 /nfs/dbraw/zinc/26/80/19/1316268019.db2.gz HLNYFTWHPFHKSJ-ZWKOTPCHSA-N 2 0 339.524 2.136 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854613 1316900909 /nfs/dbraw/zinc/90/09/09/1316900909.db2.gz LUBZEIWSSPLTII-GOSISDBHSA-N 2 0 341.499 2.349 20 30 EEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272418 1317032542 /nfs/dbraw/zinc/03/25/42/1317032542.db2.gz BBOHXXVQOUJLKV-OAHLLOKOSA-N 2 0 327.432 2.284 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001252481581 1317613587 /nfs/dbraw/zinc/61/35/87/1317613587.db2.gz DHKISPXRICEZDG-MTQWCTHYSA-N 2 0 330.472 2.050 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290099 1319146210 /nfs/dbraw/zinc/14/62/10/1319146210.db2.gz XFPNQLNCOUUUOA-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001160427284 1320160838 /nfs/dbraw/zinc/16/08/38/1320160838.db2.gz OMECRRXRLDQSSM-SFHVURJKSA-N 2 0 349.906 2.374 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001163006661 1321012172 /nfs/dbraw/zinc/01/21/72/1321012172.db2.gz IFUWKSJXKBVATP-HXUWFJFHSA-N 2 0 341.499 2.155 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203558079 1321912188 /nfs/dbraw/zinc/91/21/88/1321912188.db2.gz VPCLHRURBTYFFP-MSOLQXFVSA-N 2 0 331.504 2.147 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203771423 1321957996 /nfs/dbraw/zinc/95/79/96/1321957996.db2.gz NOBSYLVCVUDUAP-QZTJIDSGSA-N 2 0 349.519 2.082 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205416879 1323122519 /nfs/dbraw/zinc/12/25/19/1323122519.db2.gz GZXOZFASWXPQAG-IPMKNSEASA-N 2 0 345.462 2.073 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648007 1323228800 /nfs/dbraw/zinc/22/88/00/1323228800.db2.gz HDXRVELZUIXQEM-FUHWJXTLSA-N 2 0 333.451 2.238 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001209403590 1324923681 /nfs/dbraw/zinc/92/36/81/1324923681.db2.gz OJNNAFAGAVDWIQ-ACDBMABISA-N 2 0 335.536 2.482 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001210781691 1325427393 /nfs/dbraw/zinc/42/73/93/1325427393.db2.gz BKZWIVZHADOTHR-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP N#Cc1cccc(NC(=O)CC[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC001325878423 1333982650 /nfs/dbraw/zinc/98/26/50/1333982650.db2.gz JTNYLLWGFSXSBR-UHFFFAOYSA-N 2 0 326.444 2.351 20 30 EEEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001341672606 1337296122 /nfs/dbraw/zinc/29/61/22/1337296122.db2.gz IVUYHDDSGXXKGO-UHFFFAOYSA-N 2 0 327.472 2.290 20 30 EEEDRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208618 1342712351 /nfs/dbraw/zinc/71/23/51/1342712351.db2.gz RTBDSKFICGDKNX-MAUKXSAKSA-N 2 0 347.890 2.270 20 30 EEEDRP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001574866580 1343706874 /nfs/dbraw/zinc/70/68/74/1343706874.db2.gz IOURYTGZUWSWRQ-SJORKVTESA-N 2 0 344.507 2.201 20 30 EEEDRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001576971320 1344079149 /nfs/dbraw/zinc/07/91/49/1344079149.db2.gz PIBMYRLHMXBPMJ-CRAIPNDOSA-N 2 0 330.476 2.212 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)[NH+](C)C ZINC001367484533 1374178321 /nfs/dbraw/zinc/17/83/21/1374178321.db2.gz VVWNPRKDSIPUSD-ROUUACIJSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001369227657 1374511825 /nfs/dbraw/zinc/51/18/25/1374511825.db2.gz NJQWEZCXOSMZNA-IRXDYDNUSA-N 2 0 348.516 2.287 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001375895885 1378119594 /nfs/dbraw/zinc/11/95/94/1378119594.db2.gz KATCPJBFWFSGPX-FQEVSTJZSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001376260822 1378403860 /nfs/dbraw/zinc/40/38/60/1378403860.db2.gz XJJTZAAOOZCQFL-MOPGFXCFSA-N 2 0 342.487 2.129 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2cc(C#N)ccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001382283219 1382049671 /nfs/dbraw/zinc/04/96/71/1382049671.db2.gz HMEXFLRLJKWRES-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391310572 1389238432 /nfs/dbraw/zinc/23/84/32/1389238432.db2.gz GNWNSXHMAHDVDT-RHSMWYFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CC#Cc3ccccc3)C2)CC1 ZINC001752768054 1406378067 /nfs/dbraw/zinc/37/80/67/1406378067.db2.gz CAQOKTIFYNQQQE-BGYRXZFFSA-N 2 0 339.483 2.007 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001393522175 1390458095 /nfs/dbraw/zinc/45/80/95/1390458095.db2.gz CUUOSTZKKRYBMK-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001393746969 1390526578 /nfs/dbraw/zinc/52/65/78/1390526578.db2.gz LAVPSPKQJKLTRJ-JSGCOSHPSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001400818953 1396613739 /nfs/dbraw/zinc/61/37/39/1396613739.db2.gz GRSDAKGXKNTZKP-MSOLQXFVSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153837 1396990331 /nfs/dbraw/zinc/99/03/31/1396990331.db2.gz MMHBJCGPFNREDU-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586556 1400051099 /nfs/dbraw/zinc/05/10/99/1400051099.db2.gz BCMSKHHKDJOJBD-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP C=CC[NH2+]C1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001755129380 1407138385 /nfs/dbraw/zinc/13/83/85/1407138385.db2.gz BHIGQVULZTWAQK-UHFFFAOYSA-N 2 0 325.416 2.038 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001425906061 1401797223 /nfs/dbraw/zinc/79/72/23/1401797223.db2.gz FNFSQVSCQGIEFT-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600232 1403589472 /nfs/dbraw/zinc/58/94/72/1403589472.db2.gz ZKEYQTOMTMLXQZ-YLJYHZDGSA-N 2 0 326.488 2.454 20 30 EEEDRP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001577710970 1403669625 /nfs/dbraw/zinc/66/96/25/1403669625.db2.gz KSSQYAMPUUIPAO-WMZOPIPTSA-N 2 0 334.508 2.368 20 30 EEEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001731455541 1405859347 /nfs/dbraw/zinc/85/93/47/1405859347.db2.gz KVRXRUJLEZVTCJ-KZNAEPCWSA-N 2 0 347.890 2.269 20 30 EEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755566869 1407637652 /nfs/dbraw/zinc/63/76/52/1407637652.db2.gz CEOGFYIHSHKNEB-VQIMIIECSA-N 2 0 337.483 2.049 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001168023663 782294340 /nfs/dbraw/zinc/29/43/40/782294340.db2.gz ZIMKGCIOTMYARR-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104622223 762067165 /nfs/dbraw/zinc/06/71/65/762067165.db2.gz TWDMWSWUFKIAPW-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001167481079 759835202 /nfs/dbraw/zinc/83/52/02/759835202.db2.gz ZAUXRMHWTNBYHN-UHFFFAOYSA-N 2 0 348.516 2.338 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449984 760441959 /nfs/dbraw/zinc/44/19/59/760441959.db2.gz XFUXVBDDQIJLQL-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302901 761540465 /nfs/dbraw/zinc/54/04/65/761540465.db2.gz BYPXDZAVKMKIRZ-QRQLOZEOSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680081 764718850 /nfs/dbraw/zinc/71/88/50/764718850.db2.gz OZSNHDSUDBHHDA-IIAWOOMASA-N 2 0 327.900 2.155 20 30 EEEDRP CCCCCCC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167736996 765527136 /nfs/dbraw/zinc/52/71/36/765527136.db2.gz MKIRFRJOIHTGQS-UHFFFAOYSA-N 2 0 341.540 2.411 20 30 EEEDRP C=C(Cl)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673575 770866913 /nfs/dbraw/zinc/86/69/13/770866913.db2.gz OJGORQCTXIYONG-INIZCTEOSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980147505 773949658 /nfs/dbraw/zinc/94/96/58/773949658.db2.gz NSYRHSBGYMSUTA-RCCFBDPRSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154201 773965211 /nfs/dbraw/zinc/96/52/11/773965211.db2.gz HBSAVCOABHIVGE-JQHSSLGASA-N 2 0 343.471 2.195 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885978 774001841 /nfs/dbraw/zinc/00/18/41/774001841.db2.gz LVHPGQRBDNTFAL-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093728 777408327 /nfs/dbraw/zinc/40/83/27/777408327.db2.gz PFEPSUXYCZXERS-OALUTQOASA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526974 777588072 /nfs/dbraw/zinc/58/80/72/777588072.db2.gz BZNSKQNKNJNQSI-KGLIPLIRSA-N 2 0 344.297 2.008 20 30 EEEDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)CC[NH2+]CC1 ZINC000925812506 777624858 /nfs/dbraw/zinc/62/48/58/777624858.db2.gz IFGMABXVMZLVGL-CYBMUJFWSA-N 2 0 333.407 2.108 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052555 779000088 /nfs/dbraw/zinc/00/00/88/779000088.db2.gz PQXPBSOIONPLME-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107357 779115733 /nfs/dbraw/zinc/11/57/33/779115733.db2.gz HXPIQCGRLAWRBG-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538583 790796101 /nfs/dbraw/zinc/79/61/01/790796101.db2.gz SGUNKIBWVGNWII-ROUUACIJSA-N 2 0 327.472 2.266 20 30 EEEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001089860927 780846102 /nfs/dbraw/zinc/84/61/02/780846102.db2.gz CNHLMQSXLACLII-XSLAGTTESA-N 2 0 331.504 2.073 20 30 EEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994130 781707292 /nfs/dbraw/zinc/70/72/92/781707292.db2.gz MTCHBRNIUYZPFL-UXHICEINSA-N 2 0 341.499 2.346 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101087 781723653 /nfs/dbraw/zinc/72/36/53/781723653.db2.gz QJPMVSJHQJPJPE-GOEBONIOSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000945183864 783575121 /nfs/dbraw/zinc/57/51/21/783575121.db2.gz UGTFCAWONNKVQW-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001135314907 783597093 /nfs/dbraw/zinc/59/70/93/783597093.db2.gz ISBKZAMCJCHSOV-DLBZAZTESA-N 2 0 347.478 2.392 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203826 784052544 /nfs/dbraw/zinc/05/25/44/784052544.db2.gz QMWYYNSASNNQCN-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135690096 784249831 /nfs/dbraw/zinc/24/98/31/784249831.db2.gz FDNDGWLTKKBVQZ-QZTJIDSGSA-N 2 0 339.524 2.021 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857009 784638091 /nfs/dbraw/zinc/63/80/91/784638091.db2.gz AZSXDIXPXHLTJD-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937860 784828945 /nfs/dbraw/zinc/82/89/45/784828945.db2.gz AXLCPLWJFSZXCW-ROUUACIJSA-N 2 0 339.483 2.007 20 30 EEEDRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000818220884 785223259 /nfs/dbraw/zinc/22/32/59/785223259.db2.gz NXQBSBGDNROROY-SFHVURJKSA-N 2 0 343.475 2.177 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001170986798 787182278 /nfs/dbraw/zinc/18/22/78/787182278.db2.gz BIFZQXFFZLTYJM-HNNXBMFYSA-N 2 0 327.432 2.332 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996857270 787839170 /nfs/dbraw/zinc/83/91/70/787839170.db2.gz MITWDZCNWMBTQB-MRXNPFEDSA-N 2 0 325.884 2.194 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996993251 788377128 /nfs/dbraw/zinc/37/71/28/788377128.db2.gz CAGQFMAVBVEGBG-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC001088945234 791686825 /nfs/dbraw/zinc/68/68/25/791686825.db2.gz VWDSHDASGQVQCU-QAPCUYQASA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998308285 792538926 /nfs/dbraw/zinc/53/89/26/792538926.db2.gz YXMQKVPZHQITHV-KBPBESRZSA-N 2 0 345.409 2.027 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089928658 792575677 /nfs/dbraw/zinc/57/56/77/792575677.db2.gz LLRYFQDNQYVBQX-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942303 793034421 /nfs/dbraw/zinc/03/44/21/793034421.db2.gz NQROPLVGUHRJOG-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958490 793103611 /nfs/dbraw/zinc/10/36/11/793103611.db2.gz SKAIPWDCCQWAJB-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992400446 793965468 /nfs/dbraw/zinc/96/54/68/793965468.db2.gz DQLCHFIMNDAPSW-ICSRJNTNSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350015 794344052 /nfs/dbraw/zinc/34/40/52/794344052.db2.gz VUBKQZHWCIKOJD-HOTGVXAUSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079189393 794468554 /nfs/dbraw/zinc/46/85/54/794468554.db2.gz NDQUWRQGGWZVIR-IPMKNSEASA-N 2 0 345.462 2.380 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@@H]12 ZINC000992518793 794486985 /nfs/dbraw/zinc/48/69/85/794486985.db2.gz SMDMLAPUAOTUKT-QUCCMNQESA-N 2 0 343.471 2.481 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106132648 794496303 /nfs/dbraw/zinc/49/63/03/794496303.db2.gz BHHOFOWQZNXCHP-GUDVDZBRSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079320665 794577186 /nfs/dbraw/zinc/57/71/86/794577186.db2.gz CLALLERBMIVHHG-HHXXYDBFSA-N 2 0 345.462 2.238 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748226 794761761 /nfs/dbraw/zinc/76/17/61/794761761.db2.gz ZMFMOKXQPBNPHR-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106244548 795280669 /nfs/dbraw/zinc/28/06/69/795280669.db2.gz PCZMHGQZXYYJII-HYVNUMGLSA-N 2 0 341.927 2.401 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCC)CC1 ZINC001110152354 795835158 /nfs/dbraw/zinc/83/51/58/795835158.db2.gz PUHHDJBLFODKLL-QYZOEREBSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665738 796072042 /nfs/dbraw/zinc/07/20/42/796072042.db2.gz ADXHYAMNDZWRIO-MDZRGWNJSA-N 2 0 339.499 2.459 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803913 797031168 /nfs/dbraw/zinc/03/11/68/797031168.db2.gz JVPSOQXACGGVCB-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001082724223 797664368 /nfs/dbraw/zinc/66/43/68/797664368.db2.gz QLGUYQRUMAPACA-KBRIMQKVSA-N 2 0 348.516 2.142 20 30 EEEDRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001175218762 798036243 /nfs/dbraw/zinc/03/62/43/798036243.db2.gz WEJOFJKKHKCZTN-MSOLQXFVSA-N 2 0 339.524 2.021 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001176309783 798426672 /nfs/dbraw/zinc/42/66/72/798426672.db2.gz XTAFDPLYRXHPSS-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C/C=C/c2ccccc2)CC1 ZINC001176926405 798630988 /nfs/dbraw/zinc/63/09/88/798630988.db2.gz KTAGFNLGYACKHT-UXBLZVDNSA-N 2 0 339.483 2.141 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C/C=C/Cl)CC1 ZINC001180360263 800377170 /nfs/dbraw/zinc/37/71/70/800377170.db2.gz APCSWGKDCHTQER-JXMROGBWSA-N 2 0 339.911 2.350 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108218964 801536988 /nfs/dbraw/zinc/53/69/88/801536988.db2.gz CEORYNVPOQJHBW-HKUYNNGSSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184700537 802134273 /nfs/dbraw/zinc/13/42/73/802134273.db2.gz DTGVYLBHSZSKQD-WBVHZDCISA-N 2 0 338.455 2.354 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230636 802169145 /nfs/dbraw/zinc/16/91/45/802169145.db2.gz OTSAJAKLVMUWPC-QZTJIDSGSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004475562 802175227 /nfs/dbraw/zinc/17/52/27/802175227.db2.gz UTRXUOVBTWVYLQ-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184882868 802223808 /nfs/dbraw/zinc/22/38/08/802223808.db2.gz OOZDACIQPJJPBU-ROUUACIJSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621096 802255509 /nfs/dbraw/zinc/25/55/09/802255509.db2.gz KAFMJGLLDBLCRI-OTWHNJEPSA-N 2 0 333.520 2.321 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001185071665 802335602 /nfs/dbraw/zinc/33/56/02/802335602.db2.gz ACDAIPRKEXYASD-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185293549 802447212 /nfs/dbraw/zinc/44/72/12/802447212.db2.gz HKPXUCIMQQNZLK-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004619037 802496091 /nfs/dbraw/zinc/49/60/91/802496091.db2.gz JPKIYNGMKXWOLV-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004619362 802497557 /nfs/dbraw/zinc/49/75/57/802497557.db2.gz BSWHXPOFRAQPQF-SJORKVTESA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001086558526 807240315 /nfs/dbraw/zinc/24/03/15/807240315.db2.gz YEAFZGVWRNMVMQ-KESTWPANSA-N 2 0 345.531 2.396 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001086613262 810316471 /nfs/dbraw/zinc/31/64/71/810316471.db2.gz KQGAUBRVRLOUGX-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534387 810913408 /nfs/dbraw/zinc/91/34/08/810913408.db2.gz PMNADUHIMPPVHS-HXUWFJFHSA-N 2 0 327.472 2.229 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130443959 811648962 /nfs/dbraw/zinc/64/89/62/811648962.db2.gz YINMHODCIVWYNM-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)CCC)C1 ZINC001130446550 811652794 /nfs/dbraw/zinc/65/27/94/811652794.db2.gz NZLNWUBBVHPIFE-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001437940571 1090534404 /nfs/dbraw/zinc/53/44/04/1090534404.db2.gz BDINDKGLVYTUPG-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438808982 1091420955 /nfs/dbraw/zinc/42/09/55/1091420955.db2.gz TUSMSDXCOMKKCU-OALUTQOASA-N 2 0 344.503 2.375 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001439284909 1091945069 /nfs/dbraw/zinc/94/50/69/1091945069.db2.gz MNKQZHYUKFZBGL-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376725 1092116372 /nfs/dbraw/zinc/11/63/72/1092116372.db2.gz BXBSAXUFCHNPKL-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001440355872 1093512212 /nfs/dbraw/zinc/51/22/12/1093512212.db2.gz JTMWILBJWKZCDA-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001442038796 1096247896 /nfs/dbraw/zinc/24/78/96/1096247896.db2.gz BFIQWEORAWOXRN-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001446639564 1101153930 /nfs/dbraw/zinc/15/39/30/1101153930.db2.gz UXDFAKTWTFMKPS-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001447302321 1102407245 /nfs/dbraw/zinc/40/72/45/1102407245.db2.gz SKPJBCJKSYHXEF-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001494911790 1104546564 /nfs/dbraw/zinc/54/65/64/1104546564.db2.gz XKERLRBBVXPJDI-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP N#CC1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000263202957 237508569 /nfs/dbraw/zinc/50/85/69/237508569.db2.gz XQEVQMGWCNWBJI-UHFFFAOYSA-N 2 0 325.460 2.249 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084185287 285280283 /nfs/dbraw/zinc/28/02/83/285280283.db2.gz GETGHKJTQZXWJN-HNNXBMFYSA-N 2 0 334.489 2.108 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528433733 270021895 /nfs/dbraw/zinc/02/18/95/270021895.db2.gz SZQGQIOEHAFZOS-IBGZPJMESA-N 2 0 345.487 2.352 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000176819788 289114341 /nfs/dbraw/zinc/11/43/41/289114341.db2.gz JBDKKKNDFJLHGG-UHFFFAOYSA-N 2 0 333.436 2.176 20 30 EEEDRP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086740988 462580198 /nfs/dbraw/zinc/58/01/98/462580198.db2.gz GXGIOQWYDQFNPN-LPHOPBHVSA-N 2 0 348.491 2.013 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136223744 463228829 /nfs/dbraw/zinc/22/88/29/463228829.db2.gz XTBJKJYTWXCSJU-UHFFFAOYSA-N 2 0 339.439 2.324 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171606995 463891775 /nfs/dbraw/zinc/89/17/75/463891775.db2.gz ZVRXGQIXDFEHAY-GOSISDBHSA-N 2 0 334.508 2.297 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000291605862 464156737 /nfs/dbraw/zinc/15/67/37/464156737.db2.gz JCCMVKZLIXSBAV-ICSRJNTNSA-N 2 0 348.535 2.422 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)C(C)C ZINC000279909252 464164426 /nfs/dbraw/zinc/16/44/26/464164426.db2.gz LAFGXZCZNAASTO-HNNXBMFYSA-N 2 0 336.505 2.073 20 30 EEEDRP C[C@@H](C[NH+](C)C)Nc1cc(C#N)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c1 ZINC000286308674 464875336 /nfs/dbraw/zinc/87/53/36/464875336.db2.gz GOXMAVYAFTZNRJ-STQMWFEESA-N 2 0 348.451 2.190 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249760475 464914550 /nfs/dbraw/zinc/91/45/50/464914550.db2.gz MNRDRRJJEUXECY-IAGOWNOFSA-N 2 0 327.472 2.289 20 30 EEEDRP CC1CCN(C(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000267385200 464929785 /nfs/dbraw/zinc/92/97/85/464929785.db2.gz BMVAFADAQFTMIG-UHFFFAOYSA-N 2 0 344.503 2.190 20 30 EEEDRP CC(C)[C@@H]1C[NH+](CC#CC[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339819367 465530906 /nfs/dbraw/zinc/53/09/06/465530906.db2.gz JIFBOVWNZTZWMN-PMACEKPBSA-N 2 0 336.520 2.484 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347249865 466509164 /nfs/dbraw/zinc/50/91/64/466509164.db2.gz GLQGMRICZPSXNX-SFHVURJKSA-N 2 0 331.460 2.500 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417061810 466768372 /nfs/dbraw/zinc/76/83/72/466768372.db2.gz LNMBQLIUUBTAQM-PKOBYXMFSA-N 2 0 334.508 2.080 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488792768 468104905 /nfs/dbraw/zinc/10/49/05/468104905.db2.gz AQVZSFHPEYZSOO-INIZCTEOSA-N 2 0 334.508 2.153 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566113444 468144769 /nfs/dbraw/zinc/14/47/69/468144769.db2.gz ZLFIQMSZARVLCZ-RBUKOAKNSA-N 2 0 345.487 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000490740622 468244155 /nfs/dbraw/zinc/24/41/55/468244155.db2.gz MATUOVRQXIXERE-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCC1 ZINC000571315946 468771731 /nfs/dbraw/zinc/77/17/31/468771731.db2.gz PUOCJXXHAFIFAI-QGZVFWFLSA-N 2 0 331.460 2.010 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603111528 469267656 /nfs/dbraw/zinc/26/76/56/469267656.db2.gz RKBCTSSGCOQQSL-LJQANCHMSA-N 2 0 345.487 2.496 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1C ZINC000610137452 469983034 /nfs/dbraw/zinc/98/30/34/469983034.db2.gz KWASMKCIXMMYFA-NEWSRXKRSA-N 2 0 345.487 2.297 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644548907 470979871 /nfs/dbraw/zinc/97/98/71/470979871.db2.gz DUHXYNXNEAMMBD-HXUWFJFHSA-N 2 0 331.504 2.109 20 30 EEEDRP CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(OCC[NH+](C)C)cc1 ZINC000753938590 577796871 /nfs/dbraw/zinc/79/68/71/577796871.db2.gz KGCUJKVNYYSVJU-ROUUACIJSA-N 2 0 343.475 2.211 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000740736377 578106346 /nfs/dbraw/zinc/10/63/46/578106346.db2.gz RHEUFBIWPXCZMX-UHFFFAOYSA-N 2 0 339.483 2.500 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC(C)C)CC[C@H]32)CC1 ZINC001021740189 676399098 /nfs/dbraw/zinc/39/90/98/676399098.db2.gz RCMBDWZJSBFDSF-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740863 676400358 /nfs/dbraw/zinc/40/03/58/676400358.db2.gz WTLDJJQLFZVEMB-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000891921004 677703252 /nfs/dbraw/zinc/70/32/52/677703252.db2.gz HEPRUKYEWGQPNG-MJGOQNOKSA-N 2 0 348.535 2.271 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC1 ZINC001022809184 678585513 /nfs/dbraw/zinc/58/55/13/678585513.db2.gz FZONBXUBLBMNFJ-KDURUIRLSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369137 679276101 /nfs/dbraw/zinc/27/61/01/679276101.db2.gz AMCQMWWSAQSJTH-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262378888 679417550 /nfs/dbraw/zinc/41/75/50/679417550.db2.gz KBJCDMGHHVSXKO-FJIDUMEYSA-N 2 0 348.535 2.183 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982490855 681257354 /nfs/dbraw/zinc/25/73/54/681257354.db2.gz BKKRPFJGOKUXND-BGYRXZFFSA-N 2 0 343.471 2.149 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541713 681863064 /nfs/dbraw/zinc/86/30/64/681863064.db2.gz FBSHKOOFMATTJX-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001025277044 682381975 /nfs/dbraw/zinc/38/19/75/682381975.db2.gz MSEWZHWBNYLXGT-RTBURBONSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]CC)CC1 ZINC000178912293 682553514 /nfs/dbraw/zinc/55/35/14/682553514.db2.gz BUWHOQRWYLEDLM-KSZLIROESA-N 2 0 346.519 2.150 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514420 682941104 /nfs/dbraw/zinc/94/11/04/682941104.db2.gz BIOSLGMNGTWVKR-HOTGVXAUSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520190 682953845 /nfs/dbraw/zinc/95/38/45/682953845.db2.gz BKLFIPMVBROWSI-ZBFHGGJFSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)cccc1C ZINC001038367718 684516013 /nfs/dbraw/zinc/51/60/13/684516013.db2.gz MVPROVUMRFQYBL-ICSRJNTNSA-N 2 0 339.483 2.092 20 30 EEEDRP c1coc(CCNC(=[NH+]C2CC2)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000262641110 687730157 /nfs/dbraw/zinc/73/01/57/687730157.db2.gz HILBRORCLWAIDH-QGZVFWFLSA-N 2 0 330.476 2.490 20 30 EEEDRP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262757943 688358026 /nfs/dbraw/zinc/35/80/26/688358026.db2.gz DZZYRMQRYACUMC-AOIWGVFYSA-N 2 0 336.524 2.063 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC000986348845 688521865 /nfs/dbraw/zinc/52/18/65/688521865.db2.gz BNGHWYHUDPRFAV-LRDDRELGSA-N 2 0 343.456 2.055 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027461566 692202157 /nfs/dbraw/zinc/20/21/57/692202157.db2.gz NCDTVWBNPCNVCE-RHSMWYFYSA-N 2 0 348.516 2.383 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089880050 1192633469 /nfs/dbraw/zinc/63/34/69/1192633469.db2.gz GYODVUIZWFHNNV-MUGJNUQGSA-N 2 0 345.531 2.463 20 30 EEEDRP C[N@H+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267102248 1178244612 /nfs/dbraw/zinc/24/46/12/1178244612.db2.gz YXQSVFUMXZZMSK-VQTJNVASSA-N 2 0 339.483 2.055 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001105446323 1187198420 /nfs/dbraw/zinc/19/84/20/1187198420.db2.gz HBEFXJYBBQTPMC-PUZFROQSSA-N 2 0 327.472 2.074 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001105568429 1188182120 /nfs/dbraw/zinc/18/21/20/1188182120.db2.gz PAHKDYBYIFVHFN-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168290483 1188253781 /nfs/dbraw/zinc/25/37/81/1188253781.db2.gz GBMSZYXHUVLOKG-GJZGRUSLSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812213 1188555866 /nfs/dbraw/zinc/55/58/66/1188555866.db2.gz RTBBIBSPQNCKJI-NZSAHSFTSA-N 2 0 331.504 2.386 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001483180956 1189045668 /nfs/dbraw/zinc/04/56/68/1189045668.db2.gz NOONLRHYQZXGIE-MRXNPFEDSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120449 1193687486 /nfs/dbraw/zinc/68/74/86/1193687486.db2.gz AXIQISRSWACGLT-ZIAGYGMSSA-N 2 0 334.489 2.041 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120448 1193687667 /nfs/dbraw/zinc/68/76/67/1193687667.db2.gz AXIQISRSWACGLT-UONOGXRCSA-N 2 0 334.489 2.041 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219738 1193757675 /nfs/dbraw/zinc/75/76/75/1193757675.db2.gz VHTMJOVZLNQBNQ-GJZGRUSLSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038905 1194344098 /nfs/dbraw/zinc/34/40/98/1194344098.db2.gz KJMFUDJTTLHCJQ-FQEVSTJZSA-N 2 0 347.503 2.136 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001033682261 1195062187 /nfs/dbraw/zinc/06/21/87/1195062187.db2.gz AYUNGLZRGWNYOX-GOSISDBHSA-N 2 0 345.512 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001033682209 1195063137 /nfs/dbraw/zinc/06/31/37/1195063137.db2.gz ASLLIKSOKIOHNP-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001128779783 1195488263 /nfs/dbraw/zinc/48/82/63/1195488263.db2.gz ZAYHUWDWAJGJQS-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165662 1200539441 /nfs/dbraw/zinc/53/94/41/1200539441.db2.gz KWKXKOPXTCMOHK-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250517 1200642657 /nfs/dbraw/zinc/64/26/57/1200642657.db2.gz XSYCALVRCMGJIR-HOTGVXAUSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCC(=C)C)C2)CC1 ZINC001133337683 1200761571 /nfs/dbraw/zinc/76/15/71/1200761571.db2.gz OYQHXTCNTZWSOW-AZUAARDMSA-N 2 0 345.531 2.372 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001202559903 1202156655 /nfs/dbraw/zinc/15/66/55/1202156655.db2.gz TURGLIFCTLAAQM-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000886660804 1202541219 /nfs/dbraw/zinc/54/12/19/1202541219.db2.gz GJTKBJPEEFURID-IEBWSBKVSA-N 2 0 329.488 2.375 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786695 1205526511 /nfs/dbraw/zinc/52/65/11/1205526511.db2.gz XXQZEVYLAUAFOM-HDICACEKSA-N 2 0 337.471 2.250 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCC(=C)C)CC2)CC1 ZINC001006443476 1209711260 /nfs/dbraw/zinc/71/12/60/1209711260.db2.gz DZOUBJDRMDZZKS-UHFFFAOYSA-N 2 0 331.504 2.221 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000303911795 1213923697 /nfs/dbraw/zinc/92/36/97/1213923697.db2.gz ZVDTZSNWANITJP-SFHVURJKSA-N 2 0 332.492 2.154 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC1CC1 ZINC000304757669 1216103295 /nfs/dbraw/zinc/10/32/95/1216103295.db2.gz PBQFZTMZARATJM-QGZVFWFLSA-N 2 0 330.476 2.364 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000960305139 1216483581 /nfs/dbraw/zinc/48/35/81/1216483581.db2.gz SUXRRRZTHDEFNR-QKYXUNIQSA-N 2 0 327.472 2.419 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960873434 1216955556 /nfs/dbraw/zinc/95/55/56/1216955556.db2.gz FTMHTEQNJKKUNS-MOPGFXCFSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373629 1217162876 /nfs/dbraw/zinc/16/28/76/1217162876.db2.gz IGPAJGARYSCTIF-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961433189 1217188233 /nfs/dbraw/zinc/18/82/33/1217188233.db2.gz UKSRIRSYKMPXIU-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000963343930 1217538799 /nfs/dbraw/zinc/53/87/99/1217538799.db2.gz DOHAUOFOYAYIAZ-PRLABOORSA-N 2 0 327.900 2.438 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681631 1221487614 /nfs/dbraw/zinc/48/76/14/1221487614.db2.gz KVCRTFIBEQBCBL-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001009624865 1223306900 /nfs/dbraw/zinc/30/69/00/1223306900.db2.gz BAXJAKWXDMUEFL-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001009625975 1223307792 /nfs/dbraw/zinc/30/77/92/1223307792.db2.gz GQIZLKZDFVOMKB-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818080 1226901506 /nfs/dbraw/zinc/90/15/06/1226901506.db2.gz BHIAMOKWMODRDG-OXJNMPFZSA-N 2 0 349.494 2.193 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860532 1226927854 /nfs/dbraw/zinc/92/78/54/1226927854.db2.gz IQNIYCJLPZTCSC-QZTJIDSGSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016930990 1226978507 /nfs/dbraw/zinc/97/85/07/1226978507.db2.gz OLMSXPSTSHEBFH-LSDHHAIUSA-N 2 0 325.884 2.051 20 30 EEEDRP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+]1CCCC1 ZINC001019229959 1228897774 /nfs/dbraw/zinc/89/77/74/1228897774.db2.gz IPSYRPDERROAPI-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138401 1230352222 /nfs/dbraw/zinc/35/22/22/1230352222.db2.gz QCCFXENOOBFHFN-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141318 1230357418 /nfs/dbraw/zinc/35/74/18/1230357418.db2.gz VFZDPFLSAYNALC-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CC[N@@H+](CC=C)C3)CC2)CC1 ZINC001039182912 1230410009 /nfs/dbraw/zinc/41/00/09/1230410009.db2.gz UMKAZYKAXNNRGR-FQEVSTJZSA-N 2 0 343.515 2.078 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356230 1231185344 /nfs/dbraw/zinc/18/53/44/1231185344.db2.gz GVFBDVOWTPEXJA-HXUWFJFHSA-N 2 0 343.471 2.293 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542710 1231284000 /nfs/dbraw/zinc/28/40/00/1231284000.db2.gz CUDZTFTVDOGUMP-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542713 1231284123 /nfs/dbraw/zinc/28/41/23/1231284123.db2.gz CUDZTFTVDOGUMP-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001040883149 1231395334 /nfs/dbraw/zinc/39/53/34/1231395334.db2.gz YRZDTVDZJXLLQC-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040913177 1231403141 /nfs/dbraw/zinc/40/31/41/1231403141.db2.gz ZFXPGSRMISCESS-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360455 1231519690 /nfs/dbraw/zinc/51/96/90/1231519690.db2.gz YMEFYDPXCZALQJ-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041584647 1231608794 /nfs/dbraw/zinc/60/87/94/1231608794.db2.gz BWRHIPAQUSAAAI-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042305646 1232018533 /nfs/dbraw/zinc/01/85/33/1232018533.db2.gz BYNBCPUKDCFUPM-AZUAARDMSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045557194 1233815888 /nfs/dbraw/zinc/81/58/88/1233815888.db2.gz YJFCWCHTOBWFDC-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943526 1234202794 /nfs/dbraw/zinc/20/27/94/1234202794.db2.gz KGYONYOKEYXGFG-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961140 1234236073 /nfs/dbraw/zinc/23/60/73/1234236073.db2.gz HMNXQRAIONJSCZ-PZJWPPBQSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047258112 1235763275 /nfs/dbraw/zinc/76/32/75/1235763275.db2.gz XHZNAGSXXQWOCY-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265702 1235779055 /nfs/dbraw/zinc/77/90/55/1235779055.db2.gz VRUZPNDKGFYCCU-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043412 1249584866 /nfs/dbraw/zinc/58/48/66/1249584866.db2.gz FMHZPGNOUSZZMM-QRVBRYPASA-N 2 0 325.456 2.107 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583587 1238023360 /nfs/dbraw/zinc/02/33/60/1238023360.db2.gz MULKCAPGWNGOML-FSGKZVOOSA-N 2 0 345.531 2.489 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000153803 1240003533 /nfs/dbraw/zinc/00/35/33/1240003533.db2.gz LSYWEZMONVKZAN-HKUYNNGSSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049472792 1241052943 /nfs/dbraw/zinc/05/29/43/1241052943.db2.gz HCRCRALNZRBRMU-DFQSSKMNSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C/C=C/Cl)CC1 ZINC001049920258 1242713901 /nfs/dbraw/zinc/71/39/01/1242713901.db2.gz RCUMWNOWEBPEQT-SDDHYBKLSA-N 2 0 349.906 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](C)CC)CC1 ZINC001096605529 1242779036 /nfs/dbraw/zinc/77/90/36/1242779036.db2.gz SEGNIMTWDSDPGI-YSHGAJCASA-N 2 0 331.504 2.099 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517875 1243770366 /nfs/dbraw/zinc/77/03/66/1243770366.db2.gz IXFWTAWDGWYJAQ-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4cncc4C3)C2)CC1 ZINC001050568711 1243858909 /nfs/dbraw/zinc/85/89/09/1243858909.db2.gz ZGGUJGNKCUDLFH-OAHLLOKOSA-N 2 0 348.878 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)CC)CC3)CC1 ZINC001050765110 1244318091 /nfs/dbraw/zinc/31/80/91/1244318091.db2.gz JZZRGMCIFLKMGZ-SFHVURJKSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029942 1245715158 /nfs/dbraw/zinc/71/51/58/1245715158.db2.gz YRGPFMKQOIWGST-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159245 1247563837 /nfs/dbraw/zinc/56/38/37/1247563837.db2.gz UTFPPAMUIUAVAS-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222881 1247761597 /nfs/dbraw/zinc/76/15/97/1247761597.db2.gz KUZHJDMRNFSNQP-OAQYLSRUSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2c(C)cccc2Cl)CC1 ZINC001152330267 1284547348 /nfs/dbraw/zinc/54/73/48/1284547348.db2.gz KOBLOXZFKXLQPS-UHFFFAOYSA-N 2 0 347.890 2.199 20 30 EEEDRP CCCCCCC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832861 1284825757 /nfs/dbraw/zinc/82/57/57/1284825757.db2.gz QKGMKNCOAOULMB-UHFFFAOYSA-N 2 0 327.513 2.069 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198759141 1285346327 /nfs/dbraw/zinc/34/63/27/1285346327.db2.gz CMEDXYCDPUPMFW-IEBWSBKVSA-N 2 0 345.487 2.358 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198776157 1285355345 /nfs/dbraw/zinc/35/53/45/1285355345.db2.gz OCJHXODKVFEJOD-MRXNPFEDSA-N 2 0 333.476 2.358 20 30 EEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000105441025 1286389115 /nfs/dbraw/zinc/38/91/15/1286389115.db2.gz OYSJDJYAQXSBQF-MSOLQXFVSA-N 2 0 344.503 2.341 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389131 1289553198 /nfs/dbraw/zinc/55/31/98/1289553198.db2.gz KMNYJFUDVYYGCX-HZPDHXFCSA-N 2 0 345.915 2.066 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC(=C)C)C2)CC1 ZINC001072095417 1295235372 /nfs/dbraw/zinc/23/53/72/1295235372.db2.gz HXTFNCGUMIEWOY-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037366 1297914892 /nfs/dbraw/zinc/91/48/92/1297914892.db2.gz GKILDGDLRCLDDW-RBUKOAKNSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001099296017 1299002869 /nfs/dbraw/zinc/00/28/69/1299002869.db2.gz DPOOAEXSOBUOOO-BYNSBNAKSA-N 2 0 347.425 2.272 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001099325316 1299045313 /nfs/dbraw/zinc/04/53/13/1299045313.db2.gz LVTIAQKHGVOWRW-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015921 1300143445 /nfs/dbraw/zinc/14/34/45/1300143445.db2.gz VPCDPUIGRUZFOY-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224288977 1300529483 /nfs/dbraw/zinc/52/94/83/1300529483.db2.gz CUJWSFFDGORCQI-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001102496003 1301146147 /nfs/dbraw/zinc/14/61/47/1301146147.db2.gz YPBJDHIRLACHHP-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001226768078 1301545963 /nfs/dbraw/zinc/54/59/63/1301545963.db2.gz ZKRZLFRSLMPFHK-GUDVDZBRSA-N 2 0 331.504 2.434 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987635 1302029739 /nfs/dbraw/zinc/02/97/39/1302029739.db2.gz KVRWQLRXUDBTCY-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)OCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277657441 1304101985 /nfs/dbraw/zinc/10/19/85/1304101985.db2.gz JQDOMXVRRLYYON-KDURUIRLSA-N 2 0 344.503 2.466 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112111280 1304249582 /nfs/dbraw/zinc/24/95/82/1304249582.db2.gz ORIFPFZNVXAMHD-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112209746 1304337041 /nfs/dbraw/zinc/33/70/41/1304337041.db2.gz GQNHFKCDFZKAFK-ZIAGYGMSSA-N 2 0 333.398 2.027 20 30 EEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546402 1305318773 /nfs/dbraw/zinc/31/87/73/1305318773.db2.gz KKINLFMBHNPFMZ-QZTJIDSGSA-N 2 0 349.519 2.225 20 30 EEEDRP COC(OC)c1c(C[NH3+])ccnc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240343960 1309308714 /nfs/dbraw/zinc/30/87/14/1309308714.db2.gz ZKVIEUCJHYTCOW-UHFFFAOYSA-N 2 0 338.411 2.057 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246310254 1310278423 /nfs/dbraw/zinc/27/84/23/1310278423.db2.gz GSSSFAKTYFFEOK-CEXWTWQISA-N 2 0 345.487 2.296 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866373 1320296356 /nfs/dbraw/zinc/29/63/56/1320296356.db2.gz BFAHPEKRAFRDGR-ZIAGYGMSSA-N 2 0 344.297 2.008 20 30 EEEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001161683472 1320586855 /nfs/dbraw/zinc/58/68/55/1320586855.db2.gz XCHCCBZJQNHPLV-FQEVSTJZSA-N 2 0 339.483 2.451 20 30 EEEDRP C[NH+](C)CCCN1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142922755 1315801154 /nfs/dbraw/zinc/80/11/54/1315801154.db2.gz TYNZYLHNOAQFJQ-UHFFFAOYSA-N 2 0 325.460 2.109 20 30 EEEDRP C=CCOc1ccc(-c2noc([C@@H](N)CSCC[NH3+])n2)c(F)c1 ZINC001206631452 1315953366 /nfs/dbraw/zinc/95/33/66/1315953366.db2.gz ZCYYIGOSYAICDM-ZDUSSCGKSA-N 2 0 338.408 2.132 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847710 1316065404 /nfs/dbraw/zinc/06/54/04/1316065404.db2.gz HVXYRAFTEOJSTK-SJORKVTESA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891217 1316080635 /nfs/dbraw/zinc/08/06/35/1316080635.db2.gz XKBSIDBGVQMSBE-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+]1CCCC1 ZINC001152470470 1316676247 /nfs/dbraw/zinc/67/62/47/1316676247.db2.gz BOEQAGITJZYXKN-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927341 1318293143 /nfs/dbraw/zinc/29/31/43/1318293143.db2.gz MDTXPNPKSLNUKK-OAHLLOKOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285181 1320122582 /nfs/dbraw/zinc/12/25/82/1320122582.db2.gz DFYSWPBLJZMQKI-IBGZPJMESA-N 2 0 349.519 2.202 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC001160866295 1320295856 /nfs/dbraw/zinc/29/58/56/1320295856.db2.gz AMPYTYPYFBGDDG-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001160870473 1320299200 /nfs/dbraw/zinc/29/92/00/1320299200.db2.gz YAUOPFQOIJIDSF-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986386 1320344343 /nfs/dbraw/zinc/34/43/43/1320344343.db2.gz RVFPDAHNDVPYHC-LJQANCHMSA-N 2 0 331.504 2.270 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742243 1321952300 /nfs/dbraw/zinc/95/23/00/1321952300.db2.gz MNJBHHUUUORHEU-QZTJIDSGSA-N 2 0 331.504 2.293 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(CCCc3cccc(C#N)c3)CC2)CC1 ZINC001208854159 1324691896 /nfs/dbraw/zinc/69/18/96/1324691896.db2.gz JZVOJYQHECCOMG-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC001276608081 1324761909 /nfs/dbraw/zinc/76/19/09/1324761909.db2.gz KHHIXLWGMRLPHN-UHFFFAOYSA-N 2 0 343.519 2.136 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001209314537 1324899642 /nfs/dbraw/zinc/89/96/42/1324899642.db2.gz JOVPCQWVIFUWQW-LJQANCHMSA-N 2 0 345.462 2.100 20 30 EEEDRP C#CCOc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1 ZINC001276664345 1325010093 /nfs/dbraw/zinc/01/00/93/1325010093.db2.gz STSOZPNUMDNDTP-UHFFFAOYSA-N 2 0 341.499 2.158 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC001100683621 1338635885 /nfs/dbraw/zinc/63/58/85/1338635885.db2.gz KLAGYEGBZNUJCU-SYGMWZTRSA-N 2 0 346.450 2.022 20 30 EEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001100690699 1338648303 /nfs/dbraw/zinc/64/83/03/1338648303.db2.gz QPBRSLQLQLFOSY-HFPIOELMSA-N 2 0 341.499 2.392 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001574925291 1343712368 /nfs/dbraw/zinc/71/23/68/1343712368.db2.gz MKKXGOQULPYGOJ-BBWFWOEESA-N 2 0 346.523 2.445 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147998 1368880816 /nfs/dbraw/zinc/88/08/16/1368880816.db2.gz PDINEZROVMMBGL-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCC3)C2)CC1 ZINC001072096207 1370605795 /nfs/dbraw/zinc/60/57/95/1370605795.db2.gz VLGOWORLMKQSKH-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112428895 1371440733 /nfs/dbraw/zinc/44/07/33/1371440733.db2.gz PLEAPKXBWDGLCU-JZXOWHBKSA-N 2 0 339.911 2.442 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122064173 1371942789 /nfs/dbraw/zinc/94/27/89/1371942789.db2.gz VFLKGHXXMDXRGI-FKXCTXBZSA-N 2 0 331.504 2.147 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001139530759 1372512507 /nfs/dbraw/zinc/51/25/07/1372512507.db2.gz HBGUYYXBHFFYMG-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202979774 1372533586 /nfs/dbraw/zinc/53/35/86/1372533586.db2.gz POQMLDDAAUVPKN-CVEARBPZSA-N 2 0 345.512 2.464 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001374379483 1376749737 /nfs/dbraw/zinc/74/97/37/1376749737.db2.gz CYHOVGMQGZOWDM-TZMCWYRMSA-N 2 0 346.313 2.063 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001375520627 1377812762 /nfs/dbraw/zinc/81/27/62/1377812762.db2.gz YYDKEIWOVMWMDA-WOVMCDHWSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001376580301 1378609255 /nfs/dbraw/zinc/60/92/55/1378609255.db2.gz ROKNSIWIVRZRFW-CQSZACIVSA-N 2 0 346.313 2.065 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001377863785 1379551205 /nfs/dbraw/zinc/55/12/05/1379551205.db2.gz VJMCHRPMVVITID-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001378993006 1380360841 /nfs/dbraw/zinc/36/08/41/1380360841.db2.gz SAXXPWVPRQDMOH-GOSISDBHSA-N 2 0 342.487 2.130 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001379186524 1380624836 /nfs/dbraw/zinc/62/48/36/1380624836.db2.gz ZQQWLYRXMLLXKZ-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001379453450 1380710534 /nfs/dbraw/zinc/71/05/34/1380710534.db2.gz WFLFAIKNDDLKQO-MRXNPFEDSA-N 2 0 342.487 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001391335092 1389273427 /nfs/dbraw/zinc/27/34/27/1389273427.db2.gz GMEXXGKOPQGEBL-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001392251540 1389927632 /nfs/dbraw/zinc/92/76/32/1389927632.db2.gz VHNZFKKFONWKEY-UONOGXRCSA-N 2 0 348.329 2.212 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001394672824 1390735930 /nfs/dbraw/zinc/73/59/30/1390735930.db2.gz SNDOPLCCIUHBJS-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001752920921 1406548401 /nfs/dbraw/zinc/54/84/01/1406548401.db2.gz ISKMPGSWMJBFEC-HNNXBMFYSA-N 2 0 347.890 2.280 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(C)C)C2)CC1 ZINC001752984135 1406588703 /nfs/dbraw/zinc/58/87/03/1406588703.db2.gz VBSUELMIBPXKMI-RBUKOAKNSA-N 2 0 333.520 2.395 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001422936112 1400293003 /nfs/dbraw/zinc/29/30/03/1400293003.db2.gz MULHAKYDUOYZGF-JKSUJKDBSA-N 2 0 327.900 2.345 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001423071971 1400399446 /nfs/dbraw/zinc/39/94/46/1400399446.db2.gz BAENBOBTHHXZLB-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001755706986 1407759109 /nfs/dbraw/zinc/75/91/09/1407759109.db2.gz CNOFMWBBCOUSTL-XUVXKRRUSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001755708194 1407761931 /nfs/dbraw/zinc/76/19/31/1407761931.db2.gz LEZWXQVGAWVBTM-YZGWKJHDSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001755770236 1407831544 /nfs/dbraw/zinc/83/15/44/1407831544.db2.gz QJZDZDCXZFVODB-ZIAGYGMSSA-N 2 0 335.414 2.129 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000303900755 1409792023 /nfs/dbraw/zinc/79/20/23/1409792023.db2.gz WXUHDQFGIZTNNK-UHFFFAOYSA-N 2 0 345.535 2.275 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100459182 1410655769 /nfs/dbraw/zinc/65/57/69/1410655769.db2.gz UJBAVAULFJUNNI-UHFFFAOYSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632677 1410738421 /nfs/dbraw/zinc/73/84/21/1410738421.db2.gz RPPFBIFKTJTWIG-DBXWQHBBSA-N 2 0 341.499 2.171 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648968 1410741478 /nfs/dbraw/zinc/74/14/78/1410741478.db2.gz XJERJCMHWVNYEP-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210613835 758071226 /nfs/dbraw/zinc/07/12/26/758071226.db2.gz BVKAGDMSHFCUPA-ICSRJNTNSA-N 2 0 327.472 2.067 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449442 760425027 /nfs/dbraw/zinc/42/50/27/760425027.db2.gz JDXUUYGPSHRAIF-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454087 760709308 /nfs/dbraw/zinc/70/93/08/760709308.db2.gz KTWKWOTZRZMSLM-XLIONFOSSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087305953 761553078 /nfs/dbraw/zinc/55/30/78/761553078.db2.gz AZDWOFABIGMJRW-MISYRCLQSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087313903 761597557 /nfs/dbraw/zinc/59/75/57/761597557.db2.gz BQHFFKPYFABCNM-IKGGRYGDSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC=C)[C@@H]3C2(C)C)CC1 ZINC001087317320 761613319 /nfs/dbraw/zinc/61/33/19/761613319.db2.gz GRCCSJHQQZMVOB-QRVBRYPASA-N 2 0 343.515 2.123 20 30 EEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104917212 765555600 /nfs/dbraw/zinc/55/56/00/765555600.db2.gz WKPNEHWMQVHNQV-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC=C)CC(C)(C)C1 ZINC001089408442 768830193 /nfs/dbraw/zinc/83/01/93/768830193.db2.gz AAZWYDSSKGLWDE-MSOLQXFVSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001105058449 768969801 /nfs/dbraw/zinc/96/98/01/768969801.db2.gz HBLPKWUYNPNPTP-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089511360 770029385 /nfs/dbraw/zinc/02/93/85/770029385.db2.gz RKGHZXNSKGDMDA-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077145 782869430 /nfs/dbraw/zinc/86/94/30/782869430.db2.gz LJKVQLOYAVYWGL-QRVBRYPASA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980179955 774012081 /nfs/dbraw/zinc/01/20/81/774012081.db2.gz UFMABIGHKCYHCL-GVDBMIGSSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238862 776920941 /nfs/dbraw/zinc/92/09/41/776920941.db2.gz KXVHNKAYOLTBMP-QZTJIDSGSA-N 2 0 327.472 2.055 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981528537 777593195 /nfs/dbraw/zinc/59/31/95/777593195.db2.gz RUWNMYGAPIPXGG-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089849868 777994315 /nfs/dbraw/zinc/99/43/15/777994315.db2.gz KHFWCRIHOJPMEV-MUGJNUQGSA-N 2 0 345.531 2.463 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772457 778172676 /nfs/dbraw/zinc/17/26/76/778172676.db2.gz VXXCCXOYYOUMNG-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279994 779518199 /nfs/dbraw/zinc/51/81/99/779518199.db2.gz PPKSAHBXDKNLKE-JYRKZWEQSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982304651 779645358 /nfs/dbraw/zinc/64/53/58/779645358.db2.gz HRAZJBYERGLFFW-KDURUIRLSA-N 2 0 331.504 2.219 20 30 EEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236876909 779670706 /nfs/dbraw/zinc/67/07/06/779670706.db2.gz BDXFJEQSKNHISW-SFHVURJKSA-N 2 0 344.503 2.485 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001088321847 783498956 /nfs/dbraw/zinc/49/89/56/783498956.db2.gz PGDBRSOBPDFUJF-INIZCTEOSA-N 2 0 333.501 2.417 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001088326767 783514634 /nfs/dbraw/zinc/51/46/34/783514634.db2.gz XNTKZOBFWAATJS-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001135391162 783687900 /nfs/dbraw/zinc/68/79/00/783687900.db2.gz QRKHKYYJGMHIIE-QZTJIDSGSA-N 2 0 341.499 2.253 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035102579 783731007 /nfs/dbraw/zinc/73/10/07/783731007.db2.gz OONCTEGHFDOBPY-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135437054 783766300 /nfs/dbraw/zinc/76/63/00/783766300.db2.gz LKEMBNRXYPDPEL-UHFFFAOYSA-N 2 0 330.476 2.276 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC001135477654 783867280 /nfs/dbraw/zinc/86/72/80/783867280.db2.gz MKJKNHWPENVESG-GOSISDBHSA-N 2 0 348.466 2.270 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035237397 784156374 /nfs/dbraw/zinc/15/63/74/784156374.db2.gz JQLVWSKZMWMWKF-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238813 784160331 /nfs/dbraw/zinc/16/03/31/784160331.db2.gz HGUNFTMZLOBZTJ-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001036257851 786115957 /nfs/dbraw/zinc/11/59/57/786115957.db2.gz NDZYOMVBQVFBLZ-SWLSCSKDSA-N 2 0 336.867 2.340 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424474 787198815 /nfs/dbraw/zinc/19/88/15/787198815.db2.gz PWOMSFQJGYXKHN-YQVWRLOYSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911735085 787670479 /nfs/dbraw/zinc/67/04/79/787670479.db2.gz DUNFKURTUOHNKA-KRWDZBQOSA-N 2 0 345.443 2.218 20 30 EEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000996996942 788427667 /nfs/dbraw/zinc/42/76/67/788427667.db2.gz AUKCANOWWRUNPY-SFHVURJKSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859178 788820802 /nfs/dbraw/zinc/82/08/02/788820802.db2.gz MLMNEAILRZFIGL-YSTOQKLRSA-N 2 0 345.531 2.301 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592997 791361657 /nfs/dbraw/zinc/36/16/57/791361657.db2.gz LPYPIMSQGRRZGY-HUUCEWRRSA-N 2 0 348.466 2.410 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001147359945 791800125 /nfs/dbraw/zinc/80/01/25/791800125.db2.gz XQNYLNSWPFEALG-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998103152 791971451 /nfs/dbraw/zinc/97/14/51/791971451.db2.gz PHXJRNZYMMRJJD-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001148360104 792389524 /nfs/dbraw/zinc/38/95/24/792389524.db2.gz OMDIAPZQKBTQJU-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC000998308286 792539535 /nfs/dbraw/zinc/53/95/35/792539535.db2.gz YXMQKVPZHQITHV-KGLIPLIRSA-N 2 0 345.409 2.027 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938044 793023617 /nfs/dbraw/zinc/02/36/17/793023617.db2.gz GNIICBBSXNLQSE-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407888 793362008 /nfs/dbraw/zinc/36/20/08/793362008.db2.gz HJLBLYKSNVQGBK-IAGOWNOFSA-N 2 0 339.524 2.257 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000999391934 794404320 /nfs/dbraw/zinc/40/43/20/794404320.db2.gz OEPBUUDUGPCHSX-HKUYNNGSSA-N 2 0 343.446 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(C)C)CC3)CC1 ZINC000992502100 794435145 /nfs/dbraw/zinc/43/51/45/794435145.db2.gz AKHOBSDBLZAHHK-QUCCMNQESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@@H]12 ZINC000992518796 794486865 /nfs/dbraw/zinc/48/68/65/794486865.db2.gz SMDMLAPUAOTUKT-UYAOXDASSA-N 2 0 343.471 2.481 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079298994 794569156 /nfs/dbraw/zinc/56/91/56/794569156.db2.gz QWDSYWJLZYATEU-QXAKKESOSA-N 2 0 345.462 2.236 20 30 EEEDRP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120545 794653071 /nfs/dbraw/zinc/65/30/71/794653071.db2.gz KZEFYHAMPGQHTR-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810432 795215537 /nfs/dbraw/zinc/21/55/37/795215537.db2.gz BKLFQAKRUCPPDY-HOTGVXAUSA-N 2 0 325.884 2.004 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001106599590 795923173 /nfs/dbraw/zinc/92/31/73/795923173.db2.gz NKWIMIRNHJGHIN-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470541 796298770 /nfs/dbraw/zinc/29/87/70/796298770.db2.gz IZIHYWHSGITFJP-UYAOXDASSA-N 2 0 336.439 2.332 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902319 796439898 /nfs/dbraw/zinc/43/98/98/796439898.db2.gz IYXONHUYPABLMX-AZUAARDMSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171498980 796606115 /nfs/dbraw/zinc/60/61/15/796606115.db2.gz DKEKNXZFYUUXCR-UONOGXRCSA-N 2 0 348.329 2.500 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741786 796945137 /nfs/dbraw/zinc/94/51/37/796945137.db2.gz KUYJGKZDTUANAX-HOTGVXAUSA-N 2 0 339.911 2.488 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741788 796945474 /nfs/dbraw/zinc/94/54/74/796945474.db2.gz KUYJGKZDTUANAX-JKSUJKDBSA-N 2 0 339.911 2.488 20 30 EEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172971032 797175917 /nfs/dbraw/zinc/17/59/17/797175917.db2.gz LHZVNVNSQRCUHJ-UUAJXVIYSA-N 2 0 348.491 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001095009389 797226879 /nfs/dbraw/zinc/22/68/79/797226879.db2.gz DZLLLJYNXUQTRB-ULQDDVLXSA-N 2 0 339.911 2.440 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255804 797514762 /nfs/dbraw/zinc/51/47/62/797514762.db2.gz FHISRFZIHGQRQJ-IRXDYDNUSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564447 806589885 /nfs/dbraw/zinc/58/98/85/806589885.db2.gz UEEFPTAZKJZURZ-PXNSSMCTSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580590 806669598 /nfs/dbraw/zinc/66/95/98/806669598.db2.gz VJHWPKYUQTWVPX-FPOVZHCZSA-N 2 0 345.531 2.494 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728656 798540548 /nfs/dbraw/zinc/54/05/48/798540548.db2.gz NJLUODPFHOFUEH-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958396 798577694 /nfs/dbraw/zinc/57/76/94/798577694.db2.gz XONNLVNECVACKS-RLLQIKCJSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001176926211 798631098 /nfs/dbraw/zinc/63/10/98/798631098.db2.gz JLNMVUAUVHVAIU-UHFFFAOYSA-N 2 0 347.890 2.281 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101509 798674944 /nfs/dbraw/zinc/67/49/44/798674944.db2.gz OBIYIPMVGKYQDC-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001176997069 798685938 /nfs/dbraw/zinc/68/59/38/798685938.db2.gz HZPSEHGROVRZGP-HXUWFJFHSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001177416254 798934292 /nfs/dbraw/zinc/93/42/92/798934292.db2.gz XNEJQWAAASBJOE-SFHVURJKSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@@H]2C)CC1 ZINC001180203933 800308043 /nfs/dbraw/zinc/30/80/43/800308043.db2.gz CKYHAWHOYJEYGD-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180372885 800404445 /nfs/dbraw/zinc/40/44/45/800404445.db2.gz KZGVHFVLDPMLQT-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)C2)CC1 ZINC001085432639 800497514 /nfs/dbraw/zinc/49/75/14/800497514.db2.gz IWNPFIOGSHVQFR-OTGCGEFBSA-N 2 0 345.531 2.395 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206487897 801060449 /nfs/dbraw/zinc/06/04/49/801060449.db2.gz MPIDYHPMYXIJIP-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001151162240 801150298 /nfs/dbraw/zinc/15/02/98/801150298.db2.gz WKNMTXFVILUMHH-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC001182794962 801338368 /nfs/dbraw/zinc/33/83/68/801338368.db2.gz ZRSNVBZPGPPQBF-QGZVFWFLSA-N 2 0 344.503 2.394 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086122614 802222392 /nfs/dbraw/zinc/22/23/92/802222392.db2.gz RHLJWRSKOKKCMX-VBQJREDUSA-N 2 0 346.500 2.088 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086122360 802222579 /nfs/dbraw/zinc/22/25/79/802222579.db2.gz HQPFENOXYFWHCV-OTWHNJEPSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004525004 802294265 /nfs/dbraw/zinc/29/42/65/802294265.db2.gz ZCTPCBJMECYXKI-GOSISDBHSA-N 2 0 343.471 2.291 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004529212 802323990 /nfs/dbraw/zinc/32/39/90/802323990.db2.gz RCIJMZOYIONMFK-OALUTQOASA-N 2 0 346.519 2.335 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086412101 802918451 /nfs/dbraw/zinc/91/84/51/802918451.db2.gz JZZCURBNTUTOMF-HDJSIYSDSA-N 2 0 332.835 2.493 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797688 804053329 /nfs/dbraw/zinc/05/33/29/804053329.db2.gz IYRWSKICJGCWSR-UONOGXRCSA-N 2 0 346.313 2.254 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086605548 809627669 /nfs/dbraw/zinc/62/76/69/809627669.db2.gz KFRJNLGEMSWLPT-FRYIKTPZSA-N 2 0 341.499 2.487 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001129417402 810832107 /nfs/dbraw/zinc/83/21/07/810832107.db2.gz NLXRPGKNSPZREJ-QGZVFWFLSA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001130445956 811650477 /nfs/dbraw/zinc/65/04/77/811650477.db2.gz FIMCDLWKUAYLGF-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480462401 1100266157 /nfs/dbraw/zinc/26/61/57/1100266157.db2.gz UXUVKKMTKVGXKB-ZDUSSCGKSA-N 2 0 346.313 2.254 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001446594667 1101086651 /nfs/dbraw/zinc/08/66/51/1101086651.db2.gz BNOHSHSYRSWWBZ-HXUWFJFHSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520305728 1119144651 /nfs/dbraw/zinc/14/46/51/1119144651.db2.gz SCZKEGVYIQMCMG-INIZCTEOSA-N 2 0 332.496 2.151 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000574825472 320060944 /nfs/dbraw/zinc/06/09/44/320060944.db2.gz CGQKLSOQRRJJQK-RYRKJORJSA-N 2 0 344.507 2.287 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128331223 462629681 /nfs/dbraw/zinc/62/96/81/462629681.db2.gz HHHSQLKHHLXCSJ-GOSISDBHSA-N 2 0 329.488 2.377 20 30 EEEDRP C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262487087 464030528 /nfs/dbraw/zinc/03/05/28/464030528.db2.gz STSHCSDDJYRGMB-DLBZAZTESA-N 2 0 347.507 2.018 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOCCc1ccccc1 ZINC000264063487 464278107 /nfs/dbraw/zinc/27/81/07/464278107.db2.gz AGWMPJDQLHOVMZ-IBGZPJMESA-N 2 0 346.519 2.415 20 30 EEEDRP CN(CCC[NH+]1CCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000281453733 464459554 /nfs/dbraw/zinc/45/95/54/464459554.db2.gz UVIJRKISYOAKAR-SFHVURJKSA-N 2 0 326.444 2.081 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885142 464712348 /nfs/dbraw/zinc/71/23/48/464712348.db2.gz CTLFYOJVTZFGQN-SJLPKXTDSA-N 2 0 326.444 2.303 20 30 EEEDRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000329961116 465488606 /nfs/dbraw/zinc/48/86/06/465488606.db2.gz RKQPFTZNOQPOBV-JKSUJKDBSA-N 2 0 333.480 2.214 20 30 EEEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCCC#N)CC1 ZINC000267411549 464929829 /nfs/dbraw/zinc/92/98/29/464929829.db2.gz UFMDRJXTFYEHEU-UHFFFAOYSA-N 2 0 330.476 2.443 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc2c(cccc2C)o1 ZINC000267464640 464932947 /nfs/dbraw/zinc/93/29/47/464932947.db2.gz WCGZMLVASSDVOU-AWEZNQCLSA-N 2 0 329.448 2.067 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000298657913 465462886 /nfs/dbraw/zinc/46/28/86/465462886.db2.gz PZYINVDTYIVPGG-GOSISDBHSA-N 2 0 336.524 2.469 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057461 466766422 /nfs/dbraw/zinc/76/64/22/466766422.db2.gz BIFOJVKSOSPFQU-IEBWSBKVSA-N 2 0 336.524 2.374 20 30 EEEDRP N#CCC[C@H](C#N)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000566850683 468159455 /nfs/dbraw/zinc/15/94/55/468159455.db2.gz OVZXCDZEDSPIQX-HXUWFJFHSA-N 2 0 339.487 2.227 20 30 EEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000578618891 468227565 /nfs/dbraw/zinc/22/75/65/468227565.db2.gz YYCNBORDLVHTBW-IBGZPJMESA-N 2 0 345.487 2.202 20 30 EEEDRP N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000594441132 468589451 /nfs/dbraw/zinc/58/94/51/468589451.db2.gz NKZSDLXTLXUVDF-SFHVURJKSA-N 2 0 328.460 2.310 20 30 EEEDRP C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000611391892 469240141 /nfs/dbraw/zinc/24/01/41/469240141.db2.gz CVAICDIPYADAGH-UZLBHIALSA-N 2 0 326.488 2.409 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137454 469983452 /nfs/dbraw/zinc/98/34/52/469983452.db2.gz KWASMKCIXMMYFA-WDSOQIARSA-N 2 0 345.487 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CC2)CC1 ZINC000969156125 674643980 /nfs/dbraw/zinc/64/39/80/674643980.db2.gz KJWWLFOODXIVEO-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021667388 676321588 /nfs/dbraw/zinc/32/15/88/676321588.db2.gz DFSAEBPJXKLBDY-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740862 676400306 /nfs/dbraw/zinc/40/03/06/676400306.db2.gz WTLDJJQLFZVEMB-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202293 676727823 /nfs/dbraw/zinc/72/78/23/676727823.db2.gz WACRICNLQUENNY-LZWOXQAQSA-N 2 0 325.884 2.383 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371316 679277635 /nfs/dbraw/zinc/27/76/35/679277635.db2.gz XMNUFZLYKJCJFZ-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554007 679374865 /nfs/dbraw/zinc/37/48/65/679374865.db2.gz DUIOASJYSGUJCO-XHSDSOJGSA-N 2 0 327.900 2.297 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000162206354 679453098 /nfs/dbraw/zinc/45/30/98/679453098.db2.gz SAXRXPSNNALERJ-BBWFWOEESA-N 2 0 348.535 2.374 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366759 679883831 /nfs/dbraw/zinc/88/38/31/679883831.db2.gz VFOYBOAARHEBJJ-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261865189 681871306 /nfs/dbraw/zinc/87/13/06/681871306.db2.gz YZJBMJNDTVVBCD-RDBSUJKOSA-N 2 0 334.430 2.472 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261746686 681943357 /nfs/dbraw/zinc/94/33/57/681943357.db2.gz LJEJABRJOKFZES-JKSUJKDBSA-N 2 0 326.554 2.367 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974798500 685561914 /nfs/dbraw/zinc/56/19/14/685561914.db2.gz FLKOKFKSSBQHMF-QGZVFWFLSA-N 2 0 339.443 2.284 20 30 EEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864137 685639186 /nfs/dbraw/zinc/63/91/86/685639186.db2.gz PPXBPEZFDKUFMS-SFHVURJKSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]12 ZINC001026385554 684519415 /nfs/dbraw/zinc/51/94/15/684519415.db2.gz CWNXQWITLXHGBC-BRWVUGGUSA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2C[C@@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262454897 686130825 /nfs/dbraw/zinc/13/08/25/686130825.db2.gz WPUPUVPITJJXJQ-VQIMIIECSA-N 2 0 336.524 2.396 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1SCCc2ccccc21 ZINC000262505045 686513026 /nfs/dbraw/zinc/51/30/26/686513026.db2.gz BCWZGNWOEJOACP-WBVHZDCISA-N 2 0 332.517 2.406 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC3CCC3)CC2)CC1 ZINC000985803630 687728522 /nfs/dbraw/zinc/72/85/22/687728522.db2.gz HPSDIVUVTBRVQC-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986354624 688504702 /nfs/dbraw/zinc/50/47/02/688504702.db2.gz KRNINLCMHCCXNG-BEFAXECRSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC000989829239 692373034 /nfs/dbraw/zinc/37/30/34/692373034.db2.gz PQVRYRMPPAJYIW-APWZRJJASA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001027545902 692846001 /nfs/dbraw/zinc/84/60/01/692846001.db2.gz IAZINQPHKYGLSA-WMZOPIPTSA-N 2 0 330.476 2.253 20 30 EEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589529 693326537 /nfs/dbraw/zinc/32/65/37/693326537.db2.gz UVFZBSYAVPCDHJ-ZCNNSNEGSA-N 2 0 341.499 2.441 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4nccn43)[C@@H]2C1 ZINC000978280558 693455277 /nfs/dbraw/zinc/45/52/77/693455277.db2.gz YXBGIZNYMHMVED-WCXIOVBPSA-N 2 0 328.460 2.021 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482468273 1185971390 /nfs/dbraw/zinc/97/13/90/1185971390.db2.gz ABVJDLNZFCTRRA-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001088410209 1186821974 /nfs/dbraw/zinc/82/19/74/1186821974.db2.gz BJCNDUDEAPLHSI-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431271 1186872056 /nfs/dbraw/zinc/87/20/56/1186872056.db2.gz OFRBCZHWZXMQMW-RBUKOAKNSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001105444154 1187183303 /nfs/dbraw/zinc/18/33/03/1187183303.db2.gz ANVLWTICJNRAHF-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC=C)CC1 ZINC001752825454 1187510149 /nfs/dbraw/zinc/51/01/49/1187510149.db2.gz STWBDDSEVJFETO-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563922 1188179920 /nfs/dbraw/zinc/17/99/20/1188179920.db2.gz UCKNCYXCHYWJJP-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320528 1188291094 /nfs/dbraw/zinc/29/10/94/1188291094.db2.gz AQFMCDGAJXSEHO-UHFFFAOYSA-N 2 0 327.900 2.491 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486092870 1193679170 /nfs/dbraw/zinc/67/91/70/1193679170.db2.gz RVNVKWAVMYMZCD-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417283 1194539538 /nfs/dbraw/zinc/53/95/38/1194539538.db2.gz VVAUXJCSRFGKHU-YJBOKZPZSA-N 2 0 325.472 2.308 20 30 EEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304851 1196072472 /nfs/dbraw/zinc/07/24/72/1196072472.db2.gz YURXJBDHPREHQH-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001034698587 1196582352 /nfs/dbraw/zinc/58/23/52/1196582352.db2.gz PKGXNJCWVXGZHJ-IYARVYRRSA-N 2 0 327.472 2.055 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086696452 1200173541 /nfs/dbraw/zinc/17/35/41/1200173541.db2.gz KYRIQWALSLNBEA-OKZBNKHCSA-N 2 0 331.504 2.149 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001133090916 1200432450 /nfs/dbraw/zinc/43/24/50/1200432450.db2.gz MDCSQXUGEWTXAO-LPHOPBHVSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001133090923 1200432535 /nfs/dbraw/zinc/43/25/35/1200432535.db2.gz MJKVZEMXYNOJST-CABCVRRESA-N 2 0 348.516 2.146 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133404052 1200867391 /nfs/dbraw/zinc/86/73/91/1200867391.db2.gz WAYYQBHNCDRBPC-INIZCTEOSA-N 2 0 347.890 2.233 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001114403640 1201640632 /nfs/dbraw/zinc/64/06/32/1201640632.db2.gz WGOSYBGAECCVPB-HCXYKTFWSA-N 2 0 331.504 2.406 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)cc1C#N ZINC001275172666 1205273882 /nfs/dbraw/zinc/27/38/82/1205273882.db2.gz RUIQVZQZMULTLL-KRWDZBQOSA-N 2 0 342.487 2.221 20 30 EEEDRP C=CCn1cc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cn1 ZINC001275381036 1205330561 /nfs/dbraw/zinc/33/05/61/1205330561.db2.gz DOVHEHKHNCJCME-FQEVSTJZSA-N 2 0 345.535 2.309 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198441 1208356474 /nfs/dbraw/zinc/35/64/74/1208356474.db2.gz YNLNLERPNDYMCK-ISARSNTHSA-N 2 0 349.519 2.173 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726656 1209329964 /nfs/dbraw/zinc/32/99/64/1209329964.db2.gz WZFWBGUDAUDTTF-QGZVFWFLSA-N 2 0 331.460 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001017265799 1212447405 /nfs/dbraw/zinc/44/74/05/1212447405.db2.gz CXTWEUZTSPZABI-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000960220855 1216432722 /nfs/dbraw/zinc/43/27/22/1216432722.db2.gz ZTZRXOOPWGLJIH-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)COc1ccccc1OC ZINC000305688141 1216975761 /nfs/dbraw/zinc/97/57/61/1216975761.db2.gz PHWVJQXCRQQIBO-HOTGVXAUSA-N 2 0 348.491 2.099 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188427 1217077553 /nfs/dbraw/zinc/07/75/53/1217077553.db2.gz VLLHKNSTQQCHOQ-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189403 1217077735 /nfs/dbraw/zinc/07/77/35/1217077735.db2.gz ZDKRYVYRNLDRKQ-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376784 1217164293 /nfs/dbraw/zinc/16/42/93/1217164293.db2.gz CYWFIMXYUIOQNH-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411345 1217179832 /nfs/dbraw/zinc/17/98/32/1217179832.db2.gz LSVQDLHNSSXCKV-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411917 1217179873 /nfs/dbraw/zinc/17/98/73/1217179873.db2.gz QLUJPBRQDGSLHG-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001015981917 1225919535 /nfs/dbraw/zinc/91/95/35/1225919535.db2.gz GKASSQNVRZTJCB-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499828 1220569721 /nfs/dbraw/zinc/56/97/21/1220569721.db2.gz REYUUNPOKORPQL-LPHOPBHVSA-N 2 0 336.439 2.336 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(C)C)[C@@H](CC)C2)CC1 ZINC001037983821 1220881252 /nfs/dbraw/zinc/88/12/52/1220881252.db2.gz OXHOXHBYTLMHBI-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001009625929 1223307737 /nfs/dbraw/zinc/30/77/37/1223307737.db2.gz GDEADMCDRPLQDQ-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001017671242 1227622028 /nfs/dbraw/zinc/62/20/28/1227622028.db2.gz OZNUXTLMBWRYFO-ZACQAIPSSA-N 2 0 328.460 2.087 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001019816208 1229362384 /nfs/dbraw/zinc/36/23/84/1229362384.db2.gz UYCYRWFPKNADNW-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165650 1230386708 /nfs/dbraw/zinc/38/67/08/1230386708.db2.gz QZAQDGLNEAVYRA-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039172665 1230398190 /nfs/dbraw/zinc/39/81/90/1230398190.db2.gz AYHIIIGXKPCDDB-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182121 1230409233 /nfs/dbraw/zinc/40/92/33/1230409233.db2.gz JILVOKCBVGBMNA-HXUWFJFHSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236943 1230469999 /nfs/dbraw/zinc/46/99/99/1230469999.db2.gz DSYCAAZUEUPNIR-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](CC)CC3CC3)CC2)CC1 ZINC001039492167 1230657365 /nfs/dbraw/zinc/65/73/65/1230657365.db2.gz GKGFRQUUSUBWQZ-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207379 1231103244 /nfs/dbraw/zinc/10/32/44/1231103244.db2.gz FPVOCXXFDBERSP-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430359 1231228065 /nfs/dbraw/zinc/22/80/65/1231228065.db2.gz BGJWPJUJQBQSRY-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCCC)C3)CC1 ZINC001040542050 1231283342 /nfs/dbraw/zinc/28/33/42/1231283342.db2.gz FLDOXDXHESQJDW-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505775 1231571706 /nfs/dbraw/zinc/57/17/06/1231571706.db2.gz MUJQBVKEYONLSC-QUCCMNQESA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@@H](F)CC)C3)C2)CC1 ZINC001041844976 1231728464 /nfs/dbraw/zinc/72/84/64/1231728464.db2.gz QRURZLCTNUOKFU-AZUAARDMSA-N 2 0 349.494 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041845349 1231728581 /nfs/dbraw/zinc/72/85/81/1231728581.db2.gz WWBMWCYFVRBQGF-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845578 1231728760 /nfs/dbraw/zinc/72/87/60/1231728760.db2.gz ISBFYTRPEJNYSO-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268417 1231993563 /nfs/dbraw/zinc/99/35/63/1231993563.db2.gz CZVMYDDZFFSTCR-AZUAARDMSA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951105 1234217786 /nfs/dbraw/zinc/21/77/86/1234217786.db2.gz UGDCPYRQWSBHIZ-FQEVSTJZSA-N 2 0 343.515 2.343 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244015 1235734896 /nfs/dbraw/zinc/73/48/96/1235734896.db2.gz OWSUTQSYGPJZDH-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244549 1235736342 /nfs/dbraw/zinc/73/63/42/1235736342.db2.gz SISYYHSBGUWVAX-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047258111 1235763627 /nfs/dbraw/zinc/76/36/27/1235763627.db2.gz XHZNAGSXXQWOCY-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048069335 1237056683 /nfs/dbraw/zinc/05/66/83/1237056683.db2.gz PIPMAWUCNGAZAG-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537522 1237907224 /nfs/dbraw/zinc/90/72/24/1237907224.db2.gz DQABKNBYZHTTEC-OBKDMQGPSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583592 1238024386 /nfs/dbraw/zinc/02/43/86/1238024386.db2.gz MULKCAPGWNGOML-OMZCGLGVSA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048887795 1239146607 /nfs/dbraw/zinc/14/66/07/1239146607.db2.gz DQMSCTAISVSZME-ZSYWTGECSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094996 1239983833 /nfs/dbraw/zinc/98/38/33/1239983833.db2.gz SGELTMXTKSOYPL-YESZJQIVSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001000151386 1240001573 /nfs/dbraw/zinc/00/15/73/1240001573.db2.gz UWIZJWYOTFZNQP-GOSISDBHSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107415 1240018032 /nfs/dbraw/zinc/01/80/32/1240018032.db2.gz ISEIGRYOWJZRHR-HCXYKTFWSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC1 ZINC001000322129 1240170367 /nfs/dbraw/zinc/17/03/67/1240170367.db2.gz UOPMIOURVPZGOM-IBGZPJMESA-N 2 0 331.504 2.409 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CC(C)C)CC3)CC2)CC1 ZINC001000334624 1240180820 /nfs/dbraw/zinc/18/08/20/1240180820.db2.gz ICRNABKDJSFHHH-UHFFFAOYSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001050546268 1243821363 /nfs/dbraw/zinc/82/13/63/1243821363.db2.gz LWYMPOZFZUHVGX-UHFFFAOYSA-N 2 0 325.884 2.148 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050690512 1244135782 /nfs/dbraw/zinc/13/57/82/1244135782.db2.gz QRAAFSQBGMTOAM-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001050764582 1244315650 /nfs/dbraw/zinc/31/56/50/1244315650.db2.gz DCUNFELKKLLZMR-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709914 1244804667 /nfs/dbraw/zinc/80/46/67/1244804667.db2.gz SENWKPZGDFRFTL-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933210 1245506184 /nfs/dbraw/zinc/50/61/84/1245506184.db2.gz XVLITHAEKZAJOC-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)C3)CC2)CC1 ZINC001052953705 1245545522 /nfs/dbraw/zinc/54/55/22/1245545522.db2.gz GJQJWXQJGXWRBH-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC[C@@H](C)F)CC2)CC1 ZINC001052958379 1245556582 /nfs/dbraw/zinc/55/65/82/1245556582.db2.gz MPNKSAJDCAKPFZ-AEFFLSMTSA-N 2 0 337.483 2.050 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001101554784 1245959399 /nfs/dbraw/zinc/95/93/99/1245959399.db2.gz QIBFZIFHJDYEMB-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154909 1247549315 /nfs/dbraw/zinc/54/93/15/1247549315.db2.gz YGJYQTQSZRFIQD-HXUWFJFHSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054173465 1247607711 /nfs/dbraw/zinc/60/77/11/1247607711.db2.gz BYXYRHSPRIQXNN-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240211 1247835729 /nfs/dbraw/zinc/83/57/29/1247835729.db2.gz PMNKFTFGYJQMAX-KRWDZBQOSA-N 2 0 325.884 2.149 20 30 EEEDRP C#CCN1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290507 1248024486 /nfs/dbraw/zinc/02/44/86/1248024486.db2.gz RIHZBCSUHYPJCL-UHFFFAOYSA-N 2 0 334.423 2.026 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281854 1258058363 /nfs/dbraw/zinc/05/83/63/1258058363.db2.gz ZYCPEHSOHMOMPQ-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081744 1278135030 /nfs/dbraw/zinc/13/50/30/1278135030.db2.gz RFUGTORPGSQXCZ-IRXDYDNUSA-N 2 0 339.524 2.326 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185742059 1278768809 /nfs/dbraw/zinc/76/88/09/1278768809.db2.gz RBQGNHSPEJYEAB-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960693 1285444164 /nfs/dbraw/zinc/44/41/64/1285444164.db2.gz LGXUDEPZCBJUQO-FUHWJXTLSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960694 1285444195 /nfs/dbraw/zinc/44/41/95/1285444195.db2.gz LGXUDEPZCBJUQO-SJLPKXTDSA-N 2 0 345.487 2.360 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095522 1295237597 /nfs/dbraw/zinc/23/75/97/1295237597.db2.gz JRSQQAPSRYWUQH-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001211267508 1295786798 /nfs/dbraw/zinc/78/67/98/1295786798.db2.gz BQRXVXNAGBUKFP-KRWDZBQOSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001211307260 1295811230 /nfs/dbraw/zinc/81/12/30/1295811230.db2.gz QBKCLTJLFTZVOG-NLWGTHIKSA-N 2 0 347.547 2.450 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399896 1296007586 /nfs/dbraw/zinc/00/75/86/1296007586.db2.gz PSYGHKOELNWBFT-KZNAEPCWSA-N 2 0 341.540 2.358 20 30 EEEDRP CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478570 1297119871 /nfs/dbraw/zinc/11/98/71/1297119871.db2.gz OUWQQAOQHYEPHZ-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837819 1298712141 /nfs/dbraw/zinc/71/21/41/1298712141.db2.gz UWDXTCSSTFBYKB-WFXMLNOXSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC/C=C\CC)[C@H]2C1 ZINC001222913074 1299918218 /nfs/dbraw/zinc/91/82/18/1299918218.db2.gz HMKORGRJHBQLFI-ZOYAEOFMSA-N 2 0 343.515 2.363 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292308 1300753496 /nfs/dbraw/zinc/75/34/96/1300753496.db2.gz IPNCCEAXLLUJHW-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C#CCN1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001224857009 1300759722 /nfs/dbraw/zinc/75/97/22/1300759722.db2.gz FWSYFKJRGAPKDP-KURKYZTESA-N 2 0 348.535 2.140 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372904 1300952082 /nfs/dbraw/zinc/95/20/82/1300952082.db2.gz PYGNAMJREOZVQS-GPMSIDNRSA-N 2 0 339.499 2.459 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103170781 1302378820 /nfs/dbraw/zinc/37/88/20/1302378820.db2.gz HWWQLGCJMRYVEZ-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001103436322 1302959304 /nfs/dbraw/zinc/95/93/04/1302959304.db2.gz TUVHFLVITLKVLM-KBAYOESNSA-N 2 0 344.503 2.404 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753724 1303298207 /nfs/dbraw/zinc/29/82/07/1303298207.db2.gz XIIYQAUQDMLSGO-QZTJIDSGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231595200 1303860160 /nfs/dbraw/zinc/86/01/60/1303860160.db2.gz UVSGMPDYAAUTAM-UHFFFAOYSA-N 2 0 329.488 2.492 20 30 EEEDRP CCOCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277857541 1304926942 /nfs/dbraw/zinc/92/69/42/1304926942.db2.gz HBXFKQOGYAQPMJ-RBUKOAKNSA-N 2 0 330.476 2.458 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571706 1305392195 /nfs/dbraw/zinc/39/21/95/1305392195.db2.gz LQUOELXLXWSOGA-SFHVURJKSA-N 2 0 333.520 2.396 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508573 1310033859 /nfs/dbraw/zinc/03/38/59/1310033859.db2.gz PDYIHPMSIMRCKK-UHFFFAOYSA-N 2 0 349.519 2.080 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)s1 ZINC001160867063 1320296387 /nfs/dbraw/zinc/29/63/87/1320296387.db2.gz DXXZQTZKLSKLSY-YOEHRIQHSA-N 2 0 346.500 2.233 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930379 1314738782 /nfs/dbraw/zinc/73/87/82/1314738782.db2.gz ULJWJMBAELIHMN-IAGOWNOFSA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203026729 1314873634 /nfs/dbraw/zinc/87/36/34/1314873634.db2.gz ARGRLXIODGNGEW-UONOGXRCSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001151352299 1316511067 /nfs/dbraw/zinc/51/10/67/1316511067.db2.gz XPRIIXRQSPTKNY-MSOLQXFVSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409251 1317998747 /nfs/dbraw/zinc/99/87/47/1317998747.db2.gz GTAGRGKDELJOEX-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3cc(Cl)cc(C#N)n3)CC2)CC1 ZINC001157837993 1318896948 /nfs/dbraw/zinc/89/69/48/1318896948.db2.gz MTFAWAFMRWAJAQ-UHFFFAOYSA-N 2 0 333.867 2.070 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC001257070736 1318935022 /nfs/dbraw/zinc/93/50/22/1318935022.db2.gz OLADGHSOORXKPU-RTBURBONSA-N 2 0 349.519 2.010 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258018699 1319132861 /nfs/dbraw/zinc/13/28/61/1319132861.db2.gz QXCMDGOAVFRQPL-UHFFFAOYSA-N 2 0 348.579 2.398 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001159837186 1320001707 /nfs/dbraw/zinc/00/17/07/1320001707.db2.gz BGRIEAPDFOMFAS-OAHLLOKOSA-N 2 0 348.516 2.194 20 30 EEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699247 1320592017 /nfs/dbraw/zinc/59/20/17/1320592017.db2.gz PNOIJRLKEZCYCE-QGZVFWFLSA-N 2 0 337.508 2.058 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001163001752 1321010396 /nfs/dbraw/zinc/01/03/96/1321010396.db2.gz NORGXCRULDDGMS-UHFFFAOYSA-N 2 0 341.499 2.157 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001164574509 1321422884 /nfs/dbraw/zinc/42/28/84/1321422884.db2.gz OLFURIGJCSCQBG-HOCLYGCPSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770204 1321957503 /nfs/dbraw/zinc/95/75/03/1321957503.db2.gz FEIKVMNIDWMKIN-QZTJIDSGSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001262562443 1322323993 /nfs/dbraw/zinc/32/39/93/1322323993.db2.gz AVPPLKLVPMFBCO-JTDSTZFVSA-N 2 0 331.460 2.071 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001263109816 1322434667 /nfs/dbraw/zinc/43/46/67/1322434667.db2.gz GXABFFBNICQGBV-JQHSSLGASA-N 2 0 333.451 2.319 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206024034 1323372702 /nfs/dbraw/zinc/37/27/02/1323372702.db2.gz XXHNNVHMUXKPOQ-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952382 1323738553 /nfs/dbraw/zinc/73/85/53/1323738553.db2.gz MLMLTLVECDLYIH-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210492775 1325309354 /nfs/dbraw/zinc/30/93/54/1325309354.db2.gz CNHNVUVKMQWCPR-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001492101685 1330469798 /nfs/dbraw/zinc/46/97/98/1330469798.db2.gz JENRKBSFYCSSOU-QGZVFWFLSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156390 1368884249 /nfs/dbraw/zinc/88/42/49/1368884249.db2.gz DGRGOXNEQVHOFW-IBGZPJMESA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248844 1371954798 /nfs/dbraw/zinc/95/47/98/1371954798.db2.gz LSCBUAIGEVCYEF-WZXTXQKWSA-N 2 0 331.504 2.147 20 30 EEEDRP CCCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001369058945 1374488523 /nfs/dbraw/zinc/48/85/23/1374488523.db2.gz RZGMGKBDAIRUBF-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001369580115 1374579375 /nfs/dbraw/zinc/57/93/75/1374579375.db2.gz VQVAXXRCVIAUAS-HTWSVDAQSA-N 2 0 346.450 2.117 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394041 1379201033 /nfs/dbraw/zinc/20/10/33/1379201033.db2.gz YCRUYBHRPCEGFH-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001382361677 1382087159 /nfs/dbraw/zinc/08/71/59/1382087159.db2.gz QIWYQKDCTPFWIM-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001393789262 1390543441 /nfs/dbraw/zinc/54/34/41/1390543441.db2.gz RDHWLUUFYBBDKO-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001399123171 1394723535 /nfs/dbraw/zinc/72/35/35/1394723535.db2.gz ZNRZVPMAPQDQAE-HNNXBMFYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001400806264 1396600575 /nfs/dbraw/zinc/60/05/75/1396600575.db2.gz ADVQRMXKCQODGZ-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001402242155 1397890458 /nfs/dbraw/zinc/89/04/58/1397890458.db2.gz JSMAKKVKHNVVKD-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001403239264 1398494420 /nfs/dbraw/zinc/49/44/20/1398494420.db2.gz BBSPDCLDRUGFKJ-MRXNPFEDSA-N 2 0 339.911 2.299 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755075543 1407085723 /nfs/dbraw/zinc/08/57/23/1407085723.db2.gz ITAWZEJABZKNLT-XLIONFOSSA-N 2 0 341.499 2.447 20 30 EEEDRP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755521744 1407580592 /nfs/dbraw/zinc/58/05/92/1407580592.db2.gz PIIGJAFUGVFHOJ-ICSRJNTNSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]21 ZINC001755708359 1407761659 /nfs/dbraw/zinc/76/16/59/1407761659.db2.gz LWKRFMXIDOVWID-CEXWTWQISA-N 2 0 333.520 2.348 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000303790606 1409792081 /nfs/dbraw/zinc/79/20/81/1409792081.db2.gz WPDCFVWHRAKUQC-UHFFFAOYSA-N 2 0 338.459 2.069 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291823 758132789 /nfs/dbraw/zinc/13/27/89/758132789.db2.gz WGIBJDIBVOAPJH-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167628244 760773824 /nfs/dbraw/zinc/77/38/24/760773824.db2.gz XZRMHUGGTWRUQS-IBGZPJMESA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461815 760940881 /nfs/dbraw/zinc/94/08/81/760940881.db2.gz SCGPQSMNYYOEOS-MOPGFXCFSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3cncn3C)CC2)CC1 ZINC001075462007 760944674 /nfs/dbraw/zinc/94/46/74/760944674.db2.gz ZUHHCZKWLOEHGQ-QGZVFWFLSA-N 2 0 344.503 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCC)[C@H]3C2(C)C)CC1 ZINC001087317078 761613019 /nfs/dbraw/zinc/61/30/19/761613019.db2.gz CFLQZJZWHDWJHZ-IPMKNSEASA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098606778 765221216 /nfs/dbraw/zinc/22/12/16/765221216.db2.gz VKXWZIQJBHHPSY-MSOLQXFVSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C2)CC1 ZINC001105062410 768977419 /nfs/dbraw/zinc/97/74/19/768977419.db2.gz PHWWCBJEGGTDDP-UYAOXDASSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067074 768986496 /nfs/dbraw/zinc/98/64/96/768986496.db2.gz LSQDADLTEMVCKO-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494573 769711823 /nfs/dbraw/zinc/71/18/23/769711823.db2.gz WNVMQZJTMKOEDK-QRVBRYPASA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540193 770171354 /nfs/dbraw/zinc/17/13/54/770171354.db2.gz SHBZQFCMFZLMPZ-INIZCTEOSA-N 2 0 342.487 2.391 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564850 770421837 /nfs/dbraw/zinc/42/18/37/770421837.db2.gz JXATYOHLDRHLNE-SFHVURJKSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088130128 782951206 /nfs/dbraw/zinc/95/12/06/782951206.db2.gz XKEOLYVIGLKQQO-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980004968 773701213 /nfs/dbraw/zinc/70/12/13/773701213.db2.gz WQKKDGAQBLMQAG-KSZLIROESA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649228 773742463 /nfs/dbraw/zinc/74/24/63/773742463.db2.gz DZEYXPDARKKTGD-SJORKVTESA-N 2 0 342.487 2.391 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001089835842 777474999 /nfs/dbraw/zinc/47/49/99/777474999.db2.gz XDOFFZQKEGUIKW-LEAZDLGRSA-N 2 0 348.450 2.140 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767226 778164931 /nfs/dbraw/zinc/16/49/31/778164931.db2.gz JDSGBKNJLWGUBK-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292762 779578224 /nfs/dbraw/zinc/57/82/24/779578224.db2.gz WWNPPOSFRVNZID-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccsc2)CC1 ZINC001028333377 780773967 /nfs/dbraw/zinc/77/39/67/780773967.db2.gz ITEKVYUJTXRQTR-GOSISDBHSA-N 2 0 345.512 2.174 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122480 780871893 /nfs/dbraw/zinc/87/18/93/780871893.db2.gz PFADGVVEVQMRKV-KFWWJZLASA-N 2 0 347.425 2.416 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001088337941 783557237 /nfs/dbraw/zinc/55/72/37/783557237.db2.gz RDEAUOSQPDPKNG-IRXDYDNUSA-N 2 0 330.476 2.382 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001135436855 783766618 /nfs/dbraw/zinc/76/66/18/783766618.db2.gz CMTPSXCGHBGAPP-UHFFFAOYSA-N 2 0 329.488 2.256 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035244759 784177534 /nfs/dbraw/zinc/17/75/34/784177534.db2.gz AEEZYVLCJBYUIO-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810431 785208717 /nfs/dbraw/zinc/20/87/17/785208717.db2.gz LFHVAZUBAHVZBU-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001036103789 785841488 /nfs/dbraw/zinc/84/14/88/785841488.db2.gz SALURKWXNQFLEK-NVXWUHKLSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1(C)C ZINC000996039202 785954550 /nfs/dbraw/zinc/95/45/50/785954550.db2.gz HITWZUOPOLPRAO-KRWDZBQOSA-N 2 0 339.443 2.284 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171069684 788323296 /nfs/dbraw/zinc/32/32/96/788323296.db2.gz RWSDUSDCSHCTCV-DLBZAZTESA-N 2 0 345.503 2.134 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001146341448 791213924 /nfs/dbraw/zinc/21/39/24/791213924.db2.gz YMGSNYHYKHAQHJ-ROUUACIJSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997874862 791321841 /nfs/dbraw/zinc/32/18/41/791321841.db2.gz SRNXQADKSQDVKL-INIZCTEOSA-N 2 0 327.472 2.212 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592808 791361541 /nfs/dbraw/zinc/36/15/41/791361541.db2.gz LMKAAPXJRZFBCD-HOTGVXAUSA-N 2 0 330.476 2.271 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001147823361 791981707 /nfs/dbraw/zinc/98/17/07/791981707.db2.gz DQXQLNDFVYWUFJ-NVXWUHKLSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717580 794611961 /nfs/dbraw/zinc/61/19/61/794611961.db2.gz YBTKKWJKGUKPSB-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107992980 795245980 /nfs/dbraw/zinc/24/59/80/795245980.db2.gz FTIVWCLKDPIJAB-IEBWSBKVSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036860011 795511245 /nfs/dbraw/zinc/51/12/45/795511245.db2.gz ZIERXXMYJPSQIL-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993570487 796828949 /nfs/dbraw/zinc/82/89/49/796828949.db2.gz HNBSUIHCTZONJO-RDJZCZTQSA-N 2 0 339.443 2.426 20 30 EEEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172495531 797006689 /nfs/dbraw/zinc/00/66/89/797006689.db2.gz RAQQDKUIGZSBBY-BHIYHBOVSA-N 2 0 346.519 2.476 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012503 797226756 /nfs/dbraw/zinc/22/67/56/797226756.db2.gz UXZZEFZPAPGBGU-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295885 798051861 /nfs/dbraw/zinc/05/18/61/798051861.db2.gz KEQLUXXZDNEKHB-KRWDZBQOSA-N 2 0 341.540 2.432 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958395 798577540 /nfs/dbraw/zinc/57/75/40/798577540.db2.gz XONNLVNECVACKS-HOJAQTOUSA-N 2 0 343.515 2.340 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176844205 798586001 /nfs/dbraw/zinc/58/60/01/798586001.db2.gz GJHSVGJNLCMWBR-GASCZTMLSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001176926575 798631073 /nfs/dbraw/zinc/63/10/73/798631073.db2.gz PQWLAHLXMCAOOT-MRXNPFEDSA-N 2 0 345.462 2.328 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176986285 798675242 /nfs/dbraw/zinc/67/52/42/798675242.db2.gz JNZVBBWJLXLLNW-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495836 799164881 /nfs/dbraw/zinc/16/48/81/799164881.db2.gz PKJKKBSEEAVOEP-IAGOWNOFSA-N 2 0 337.508 2.031 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181728650 800882546 /nfs/dbraw/zinc/88/25/46/800882546.db2.gz PTENVDCMYNZMMX-SLYNCCJLSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182000581 800992380 /nfs/dbraw/zinc/99/23/80/800992380.db2.gz DUOVFNMASVZZTC-WSTZPKSXSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004452134 802084434 /nfs/dbraw/zinc/08/44/34/802084434.db2.gz RILOMBGIZHZXJT-ZCNNSNEGSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001184693049 802130067 /nfs/dbraw/zinc/13/00/67/802130067.db2.gz NLJVYAGBHIXHRX-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623349 802287305 /nfs/dbraw/zinc/28/73/05/802287305.db2.gz IRODZBSAYPBFRD-IYBDPMFKSA-N 2 0 339.911 2.394 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001185072973 802337350 /nfs/dbraw/zinc/33/73/50/802337350.db2.gz LRLBTYHPFCENEI-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049235 807954083 /nfs/dbraw/zinc/95/40/83/807954083.db2.gz IIYSTSYPLLABPY-KRWDZBQOSA-N 2 0 330.476 2.407 20 30 EEEDRP C[NH+]1CCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170359785 809905935 /nfs/dbraw/zinc/90/59/35/809905935.db2.gz GFINRLJAVRVFME-UHFFFAOYSA-N 2 0 326.488 2.228 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412296 811600182 /nfs/dbraw/zinc/60/01/82/811600182.db2.gz NYPFESLJJAKEEF-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415347 811603445 /nfs/dbraw/zinc/60/34/45/811603445.db2.gz FSLCKVMDDJRQNR-HZPDHXFCSA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001438454730 1090963147 /nfs/dbraw/zinc/96/31/47/1090963147.db2.gz HYULWTSTQWWAQB-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CCC[NH+]1CCCC1 ZINC001438940370 1091625644 /nfs/dbraw/zinc/62/56/44/1091625644.db2.gz YEKHCWAKMYFKPL-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001440131796 1093198135 /nfs/dbraw/zinc/19/81/35/1093198135.db2.gz ZMOBQCIPUCJYQW-KBPBESRZSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CN1C(=O)CCC[NH+](C)C ZINC001441847737 1095930048 /nfs/dbraw/zinc/93/00/48/1095930048.db2.gz YPCXDITYLAZLMW-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001505443151 1113977331 /nfs/dbraw/zinc/97/73/31/1113977331.db2.gz FGYMHCAMIWBMFJ-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[N@H+](C)CC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000533272924 270022417 /nfs/dbraw/zinc/02/24/17/270022417.db2.gz RISJXNZXICJEQB-SFHVURJKSA-N 2 0 328.460 2.137 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341182864 465037517 /nfs/dbraw/zinc/03/75/17/465037517.db2.gz GZWOKWYAPJXDCU-IBGZPJMESA-N 2 0 332.488 2.428 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000341297131 465097859 /nfs/dbraw/zinc/09/78/59/465097859.db2.gz LXSNVLYKBMTUCX-QXAKKESOSA-N 2 0 348.535 2.467 20 30 EEEDRP C[C@H](NC(=O)N(C)Cc1nccn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329290181 465290304 /nfs/dbraw/zinc/29/03/04/465290304.db2.gz IIDNNJUQPHUVJP-LSDHHAIUSA-N 2 0 333.480 2.419 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000520991109 468281083 /nfs/dbraw/zinc/28/10/83/468281083.db2.gz HLJMWZUNYAAUFW-UHFFFAOYSA-N 2 0 340.471 2.003 20 30 EEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356458078 465394068 /nfs/dbraw/zinc/39/40/68/465394068.db2.gz PEOSOEJKHOIGEH-UHFFFAOYSA-N 2 0 349.519 2.011 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119034712 462868889 /nfs/dbraw/zinc/86/88/89/462868889.db2.gz ANNRIZKPSSMYOT-INIZCTEOSA-N 2 0 340.475 2.178 20 30 EEEDRP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000126704512 463657992 /nfs/dbraw/zinc/65/79/92/463657992.db2.gz UKLKNIHUHONONH-KKXNLOMOSA-N 2 0 326.488 2.083 20 30 EEEDRP C=CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262046657 463934196 /nfs/dbraw/zinc/93/41/96/463934196.db2.gz ZCPSPVMAVALJMT-CVEARBPZSA-N 2 0 326.448 2.211 20 30 EEEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C[C@H](C)O1 ZINC000264059034 464276949 /nfs/dbraw/zinc/27/69/49/464276949.db2.gz CDLLDRFNOHESBF-GASCZTMLSA-N 2 0 332.492 2.499 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264054100 464277594 /nfs/dbraw/zinc/27/75/94/464277594.db2.gz AAPURMWPPPVTAO-IBGZPJMESA-N 3 0 343.519 2.171 20 30 EEEDRP CCCCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272787448 464689058 /nfs/dbraw/zinc/68/90/58/464689058.db2.gz BYQWYJHKAMPGRD-SFHVURJKSA-N 2 0 332.492 2.238 20 30 EEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000247885141 464711478 /nfs/dbraw/zinc/71/14/78/464711478.db2.gz CTLFYOJVTZFGQN-FUHWJXTLSA-N 2 0 326.444 2.303 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1OC(F)F ZINC000267717104 464939199 /nfs/dbraw/zinc/93/91/99/464939199.db2.gz UMNRMLYUWVWBFJ-LLVKDONJSA-N 2 0 344.381 2.316 20 30 EEEDRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H](C)[NH3+] ZINC000593918308 468432485 /nfs/dbraw/zinc/43/24/85/468432485.db2.gz DXKGEGCPLRETSL-KXBFYZLASA-N 2 0 342.487 2.258 20 30 EEEDRP C=CCOc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000353668050 466053355 /nfs/dbraw/zinc/05/33/55/466053355.db2.gz FFBRZKPGCJTYHW-UHFFFAOYSA-N 2 0 345.487 2.333 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693899 468170102 /nfs/dbraw/zinc/17/01/02/468170102.db2.gz MLVSAZSSEVMPSL-AYOQOUSVSA-N 2 0 340.471 2.166 20 30 EEEDRP CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1C#N)C[NH+]1CCCC1 ZINC000600735859 468642730 /nfs/dbraw/zinc/64/27/30/468642730.db2.gz WCMIIEPPAMQGRQ-QGZVFWFLSA-N 2 0 331.460 2.010 20 30 EEEDRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315546 468936717 /nfs/dbraw/zinc/93/67/17/468936717.db2.gz LEVNTQUOGCCKQO-YQVWRLOYSA-N 2 0 329.444 2.285 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000660705253 471453231 /nfs/dbraw/zinc/45/32/31/471453231.db2.gz UJHWMOCYZAQMEI-LJQANCHMSA-N 2 0 342.487 2.211 20 30 EEEDRP C=CC[C@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663132 472194489 /nfs/dbraw/zinc/19/44/89/472194489.db2.gz LQULSDPADZETFS-IEBWSBKVSA-N 2 0 331.460 2.112 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000113319821 527104888 /nfs/dbraw/zinc/10/48/88/527104888.db2.gz DDSFHPQDLCUMGB-FQEVSTJZSA-N 2 0 329.488 2.060 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1CC)CCO2 ZINC000949251084 674634253 /nfs/dbraw/zinc/63/42/53/674634253.db2.gz GUMUOBVYJVWYQI-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC000970787704 676152264 /nfs/dbraw/zinc/15/22/64/676152264.db2.gz DHQUTYVLKOOUAH-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803671 676162008 /nfs/dbraw/zinc/16/20/08/676162008.db2.gz KVCFKCYKILTRFZ-HZPDHXFCSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326653 675790128 /nfs/dbraw/zinc/79/01/28/675790128.db2.gz UVTVVHBTTGCPOD-LPHOPBHVSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001021590457 676245438 /nfs/dbraw/zinc/24/54/38/676245438.db2.gz GBHGIFKEGUJHCE-SJLPKXTDSA-N 2 0 342.487 2.261 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249892 676266443 /nfs/dbraw/zinc/26/64/43/676266443.db2.gz FNYIMBURIWYHRI-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688273 676738915 /nfs/dbraw/zinc/73/89/15/676738915.db2.gz VOQCTFYZYIWIRD-HNNXBMFYSA-N 2 0 346.500 2.137 20 30 EEEDRP CN(Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971686874 676740348 /nfs/dbraw/zinc/74/03/48/676740348.db2.gz GXVVWFRDPGWBEM-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000971735845 676766812 /nfs/dbraw/zinc/76/68/12/676766812.db2.gz MMEHMCMHABPMEZ-YOEHRIQHSA-N 2 0 348.516 2.239 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761931 679569057 /nfs/dbraw/zinc/56/90/57/679569057.db2.gz MXKHSFGCMYBNKR-GOSISDBHSA-N 2 0 327.472 2.213 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CCCC)C[C@]3(C)C2)CC1 ZINC000982831225 681351390 /nfs/dbraw/zinc/35/13/90/681351390.db2.gz JKZGVQCRIAKZFD-OYRHEFFESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541714 681863038 /nfs/dbraw/zinc/86/30/38/681863038.db2.gz FBSHKOOFMATTJX-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCS[C@H](C(C)C)C1 ZINC000261746682 681943495 /nfs/dbraw/zinc/94/34/95/681943495.db2.gz LJEJABRJOKFZES-HOTGVXAUSA-N 2 0 326.554 2.367 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726235 682111785 /nfs/dbraw/zinc/11/17/85/682111785.db2.gz SVWMZHPRXUFFRJ-JYAXBFRTSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001025277042 682381907 /nfs/dbraw/zinc/38/19/07/682381907.db2.gz MSEWZHWBNYLXGT-OALUTQOASA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001029004524 682654028 /nfs/dbraw/zinc/65/40/28/682654028.db2.gz YJFBPIAUPMQFHN-MRXNPFEDSA-N 2 0 345.512 2.031 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261987779 682734315 /nfs/dbraw/zinc/73/43/15/682734315.db2.gz QMTNGUJZQBFFOV-BZSNNMDCSA-N 2 0 346.523 2.073 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]12 ZINC001026377178 684490804 /nfs/dbraw/zinc/49/08/04/684490804.db2.gz MLCRPKMNWAHKHZ-GUDVDZBRSA-N 2 0 327.472 2.374 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001026464280 684677817 /nfs/dbraw/zinc/67/78/17/684677817.db2.gz AYIMVJUWXJGPJG-CTWPCTMYSA-N 2 0 340.471 2.169 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598443 685114056 /nfs/dbraw/zinc/11/40/56/685114056.db2.gz CIWFKVCTKWATSD-IEBWSBKVSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985599372 687292483 /nfs/dbraw/zinc/29/24/83/687292483.db2.gz OCSZXAUSQNZVBB-GJZGRUSLSA-N 2 0 327.900 2.392 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411275 687977534 /nfs/dbraw/zinc/97/75/34/687977534.db2.gz OCSVKMGSLKBEEO-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240285 692050051 /nfs/dbraw/zinc/05/00/51/692050051.db2.gz DXJVNWMVFNWNMS-ICSRJNTNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C[C@@H]2C)CC1 ZINC000989828380 692371189 /nfs/dbraw/zinc/37/11/89/692371189.db2.gz CDZAVLQPHUXYBU-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990686121 693219247 /nfs/dbraw/zinc/21/92/47/693219247.db2.gz NMNVXBLERVDVGU-CMKODMSKSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892786 1193201454 /nfs/dbraw/zinc/20/14/54/1193201454.db2.gz LQRQAQUFSDZWOC-YVSFHVDLSA-N 2 0 349.906 2.004 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381416 1186747331 /nfs/dbraw/zinc/74/73/31/1186747331.db2.gz DNJSCTDUUPSDIG-LPHOPBHVSA-N 2 0 337.483 2.193 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001105429241 1187056089 /nfs/dbraw/zinc/05/60/89/1187056089.db2.gz RVDQJVRAFNWFSC-SBHAEUEKSA-N 2 0 341.499 2.463 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105561707 1188178048 /nfs/dbraw/zinc/17/80/48/1188178048.db2.gz PRIYBRVJMUAHOP-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105564071 1188180557 /nfs/dbraw/zinc/18/05/57/1188180557.db2.gz VWAVJLPPNBNDPW-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574594 1188188386 /nfs/dbraw/zinc/18/83/86/1188188386.db2.gz BQBFLUWQPVVBQE-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574591 1188188506 /nfs/dbraw/zinc/18/85/06/1188188506.db2.gz BQBFLUWQPVVBQE-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528043 1196332482 /nfs/dbraw/zinc/33/24/82/1196332482.db2.gz IUYZLZJSDYCPJM-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001034957737 1196918361 /nfs/dbraw/zinc/91/83/61/1196918361.db2.gz HHIUCCRYQHUKQA-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273143076 1196999285 /nfs/dbraw/zinc/99/92/85/1196999285.db2.gz AZNPCFRPYOXSFK-HXUWFJFHSA-N 2 0 346.519 2.479 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC=C)C2)CC1 ZINC001132517648 1199800560 /nfs/dbraw/zinc/80/05/60/1199800560.db2.gz GFAOSCIKYVGTMP-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525750 1199821488 /nfs/dbraw/zinc/82/14/88/1199821488.db2.gz UZRAASFHHGXNGZ-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213728 1200600420 /nfs/dbraw/zinc/60/04/20/1200600420.db2.gz RSBHKUVOZVMOEK-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133337404 1200761559 /nfs/dbraw/zinc/76/15/59/1200761559.db2.gz NJXZLPJNROGHGC-QFBILLFUSA-N 2 0 327.472 2.069 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342888 1200767569 /nfs/dbraw/zinc/76/75/69/1200767569.db2.gz UAKVNUVIVMWIHW-PKOBYXMFSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133358715 1200789373 /nfs/dbraw/zinc/78/93/73/1200789373.db2.gz CVFFZWPMMBRMGZ-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001133403992 1200865417 /nfs/dbraw/zinc/86/54/17/1200865417.db2.gz TUAQILCILUFREL-UHFFFAOYSA-N 2 0 347.890 2.233 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1cnc[nH]1 ZINC001133405637 1200868436 /nfs/dbraw/zinc/86/84/36/1200868436.db2.gz JDRUZNQNQDFKRK-UHFFFAOYSA-N 2 0 344.846 2.247 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104170094 1204611406 /nfs/dbraw/zinc/61/14/06/1204611406.db2.gz DLWJGSXVGYEELK-FGTMMUONSA-N 3 0 337.556 2.133 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3CC2)cc1C#N ZINC001275171724 1205273478 /nfs/dbraw/zinc/27/34/78/1205273478.db2.gz KRUZVGCLDOXDAE-YTQUADARSA-N 2 0 342.487 2.077 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)cn1 ZINC001275296191 1205301674 /nfs/dbraw/zinc/30/16/74/1205301674.db2.gz UYPLOMGOPHCLCJ-RBUKOAKNSA-N 2 0 336.443 2.401 20 30 EEEDRP N#Cc1cccc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)n1 ZINC001275605979 1205441918 /nfs/dbraw/zinc/44/19/18/1205441918.db2.gz UFCQNVOKBVRNIY-MOPGFXCFSA-N 2 0 336.443 2.401 20 30 EEEDRP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001095440185 1205758037 /nfs/dbraw/zinc/75/80/37/1205758037.db2.gz ZJLAPJZBYLNIKE-CWVYHPPDSA-N 2 0 325.884 2.191 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155622615 1208331141 /nfs/dbraw/zinc/33/11/41/1208331141.db2.gz BXKTXVHODUUOMY-QZTJIDSGSA-N 2 0 329.488 2.375 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722856 1208686897 /nfs/dbraw/zinc/68/68/97/1208686897.db2.gz MHLSYOHEMBCYRJ-VQIMIIECSA-N 2 0 327.472 2.007 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908775 1208771299 /nfs/dbraw/zinc/77/12/99/1208771299.db2.gz VHCIPYCEFJFAAS-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642668 1209269035 /nfs/dbraw/zinc/26/90/35/1209269035.db2.gz NASCAGGMPHEJND-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948986122 1209490599 /nfs/dbraw/zinc/49/05/99/1209490599.db2.gz IOSQJUHCNSHNEQ-MJGOQNOKSA-N 2 0 327.472 2.230 20 30 EEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303768935 1213903496 /nfs/dbraw/zinc/90/34/96/1213903496.db2.gz AQOWCDFKRZZMGE-QZTJIDSGSA-N 2 0 339.572 2.378 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961375452 1217164131 /nfs/dbraw/zinc/16/41/31/1217164131.db2.gz VDBJITKGLHMFRG-MISYRCLQSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357229 1217551453 /nfs/dbraw/zinc/55/14/53/1217551453.db2.gz IXGVXPKEDFDCGG-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968966949 1221705341 /nfs/dbraw/zinc/70/53/41/1221705341.db2.gz FHEAWGURJMVKPH-CABCVRRESA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990840 1221723111 /nfs/dbraw/zinc/72/31/11/1221723111.db2.gz OQQAWKXPHGCAPV-OALUTQOASA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342187 1222183039 /nfs/dbraw/zinc/18/30/39/1222183039.db2.gz FNKPLBIQFSOSII-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505479 1222893615 /nfs/dbraw/zinc/89/36/15/1222893615.db2.gz AFXDNQNDJWAKGJ-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001019289836 1228953416 /nfs/dbraw/zinc/95/34/16/1228953416.db2.gz GNTINPXPEADLPA-KKUMJFAQSA-N 2 0 346.500 2.041 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020214161 1229558245 /nfs/dbraw/zinc/55/82/45/1229558245.db2.gz KNWHXCPDDLCTIB-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130130 1230338407 /nfs/dbraw/zinc/33/84/07/1230338407.db2.gz JCEBJRRUYOEDNX-UXHICEINSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039144839 1230363357 /nfs/dbraw/zinc/36/33/57/1230363357.db2.gz NXQBFRVAZXGBQY-QGZVFWFLSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235856 1230468819 /nfs/dbraw/zinc/46/88/19/1230468819.db2.gz RTYNXDDEAAMTNB-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239784 1230473836 /nfs/dbraw/zinc/47/38/36/1230473836.db2.gz SGZOSDDJBKEUPI-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206984 1231103553 /nfs/dbraw/zinc/10/35/53/1231103553.db2.gz CCNBRGUZMRQOHS-AZUAARDMSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349180 1231181330 /nfs/dbraw/zinc/18/13/30/1231181330.db2.gz WMUDSZGWWBRRHU-PZJWPPBQSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453013 1231242283 /nfs/dbraw/zinc/24/22/83/1231242283.db2.gz MATFTZREYXJHLX-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542711 1231283942 /nfs/dbraw/zinc/28/39/42/1231283942.db2.gz CUDZTFTVDOGUMP-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040731872 1231351485 /nfs/dbraw/zinc/35/14/85/1231351485.db2.gz CRZNCIGWUIPSFQ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040952970 1231409007 /nfs/dbraw/zinc/40/90/07/1231409007.db2.gz HITOFHRSMQWJIJ-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356828 1231518073 /nfs/dbraw/zinc/51/80/73/1231518073.db2.gz BMCXJQMKXFSKRU-NVXWUHKLSA-N 2 0 325.884 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297615 1232012686 /nfs/dbraw/zinc/01/26/86/1232012686.db2.gz RYVIDXCAKWJKOV-MJGOQNOKSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001042367571 1232049695 /nfs/dbraw/zinc/04/96/95/1232049695.db2.gz HZVUGUZRPZNQNZ-UYAOXDASSA-N 2 0 343.515 2.221 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001045067057 1233480698 /nfs/dbraw/zinc/48/06/98/1233480698.db2.gz KIAQXTIZHFEWGR-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001054894025 1249319236 /nfs/dbraw/zinc/31/92/36/1249319236.db2.gz NALUCCNHWCDYNR-WBMJQRKESA-N 2 0 345.834 2.070 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045940944 1234198104 /nfs/dbraw/zinc/19/81/04/1234198104.db2.gz GASVRHMBYMYKSC-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980038 1234270627 /nfs/dbraw/zinc/27/06/27/1234270627.db2.gz PPUALSYCBSPFTG-FQEVSTJZSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045985634 1234280142 /nfs/dbraw/zinc/28/01/42/1234280142.db2.gz YRWICDGWBPETEM-FUHWJXTLSA-N 2 0 339.911 2.395 20 30 EEEDRP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001046952754 1235348610 /nfs/dbraw/zinc/34/86/10/1235348610.db2.gz VKSXFJIYDSLGHW-HNNXBMFYSA-N 2 0 341.446 2.122 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244013 1235735136 /nfs/dbraw/zinc/73/51/36/1235735136.db2.gz OWSUTQSYGPJZDH-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC)CC1 ZINC001048590645 1238043492 /nfs/dbraw/zinc/04/34/92/1238043492.db2.gz TZUHTZJWCHIUQK-GGPHIMKMSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185277 1240039014 /nfs/dbraw/zinc/03/90/14/1240039014.db2.gz NSYCBHFNIDOAMO-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165033 1240162440 /nfs/dbraw/zinc/16/24/40/1240162440.db2.gz DWWBIARJWWPRAT-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049232963 1240334996 /nfs/dbraw/zinc/33/49/96/1240334996.db2.gz GMRGSMBUNCSUCM-XHSDSOJGSA-N 2 0 325.884 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768678 1242137363 /nfs/dbraw/zinc/13/73/63/1242137363.db2.gz YMOZZFCMVYTGNK-IPMKNSEASA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC2CC2)CC1 ZINC001049922328 1242722398 /nfs/dbraw/zinc/72/23/98/1242722398.db2.gz YTHKXGSOYCPVPC-VQTJNVASSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050121718 1242924838 /nfs/dbraw/zinc/92/48/38/1242924838.db2.gz DQWHTJWOGKVRPA-IPMKNSEASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291258 1245487156 /nfs/dbraw/zinc/48/71/56/1245487156.db2.gz MQOXTJWFOMXCNT-VQIMIIECSA-N 2 0 339.483 2.024 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108715 1245928978 /nfs/dbraw/zinc/92/89/78/1245928978.db2.gz WDWRNCKRFJKQPZ-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141698 1247504492 /nfs/dbraw/zinc/50/44/92/1247504492.db2.gz NRNREIGVGYMRBV-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144183 1247515521 /nfs/dbraw/zinc/51/55/21/1247515521.db2.gz RIOYJVGPHYJVJB-TZIWHRDSSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054239727 1247831216 /nfs/dbraw/zinc/83/12/16/1247831216.db2.gz KQTMARIRGOTCHZ-WBVHZDCISA-N 2 0 325.884 2.005 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)CC1 ZINC001054244598 1247855849 /nfs/dbraw/zinc/85/58/49/1247855849.db2.gz HXEVYBNUOZWZLF-FQEVSTJZSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001072849330 1255431142 /nfs/dbraw/zinc/43/11/42/1255431142.db2.gz ACSOZNAEIYSYJK-JKSUJKDBSA-N 2 0 337.895 2.290 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001099317880 1258079471 /nfs/dbraw/zinc/07/94/71/1258079471.db2.gz UKDLQRFSINROGO-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001101024837 1259577072 /nfs/dbraw/zinc/57/70/72/1259577072.db2.gz IOYSPXCEUPJHHP-PGYGNJIDSA-N 2 0 347.547 2.498 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192037116 1281773514 /nfs/dbraw/zinc/77/35/14/1281773514.db2.gz DYLBANPXLMXKJP-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194153578 1282915436 /nfs/dbraw/zinc/91/54/36/1282915436.db2.gz FTWFPQHQLSKQRW-ZWKOTPCHSA-N 2 0 339.524 2.210 20 30 EEEDRP C#Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)cc1 ZINC001273674112 1282955346 /nfs/dbraw/zinc/95/53/46/1282955346.db2.gz KKWCLKOCCLVDNX-NRFANRHFSA-N 2 0 339.483 2.187 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001201320988 1289476527 /nfs/dbraw/zinc/47/65/27/1289476527.db2.gz DORJTZUJQKWLIV-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC001201640342 1289694266 /nfs/dbraw/zinc/69/42/66/1289694266.db2.gz WUFXHRAXMDTTFR-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001211233731 1295771651 /nfs/dbraw/zinc/77/16/51/1295771651.db2.gz NIVLKYVHPWBOKN-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345415 1298370946 /nfs/dbraw/zinc/37/09/46/1298370946.db2.gz VTFRBOHSPUGOCT-KURKYZTESA-N 2 0 339.524 2.015 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001220868286 1298565150 /nfs/dbraw/zinc/56/51/50/1298565150.db2.gz GABOWZOMBMQLEH-QYZOEREBSA-N 2 0 327.472 2.289 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001221034007 1298629750 /nfs/dbraw/zinc/62/97/50/1298629750.db2.gz LQFMCYOCPSRHQK-MJGOQNOKSA-N 2 0 331.435 2.291 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C[C@@H](C)O2 ZINC001098589736 1298639628 /nfs/dbraw/zinc/63/96/28/1298639628.db2.gz LHSQGXXKTXEBDR-MSOLQXFVSA-N 2 0 349.519 2.127 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710894 1299003611 /nfs/dbraw/zinc/00/36/11/1299003611.db2.gz NVPUOTOZJRLVPI-QRVBRYPASA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099547246 1299208253 /nfs/dbraw/zinc/20/82/53/1299208253.db2.gz BMGGVMHOOVIPLB-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223375194 1300106872 /nfs/dbraw/zinc/10/68/72/1300106872.db2.gz XRLSGUNHHRLBHD-QGZVFWFLSA-N 2 0 327.488 2.461 20 30 EEEDRP C#CCCC[NH+]1CCC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)CC1 ZINC001276980101 1300644200 /nfs/dbraw/zinc/64/42/00/1300644200.db2.gz QVMFWQLLTITONM-SFHVURJKSA-N 2 0 333.520 2.302 20 30 EEEDRP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290798 1300750545 /nfs/dbraw/zinc/75/05/45/1300750545.db2.gz VSYMQXIQNOYTFM-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359170 1302808329 /nfs/dbraw/zinc/80/83/29/1302808329.db2.gz MYNGNJVRJPYMAQ-QRVBRYPASA-N 2 0 333.520 2.206 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396846 1302905461 /nfs/dbraw/zinc/90/54/61/1302905461.db2.gz MRUOQVBOBPTFET-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230016529 1303019974 /nfs/dbraw/zinc/01/99/74/1303019974.db2.gz PMIHAVFPLCBCKW-LJQANCHMSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)CC)Cc1cccnc1 ZINC001230790380 1303460084 /nfs/dbraw/zinc/46/00/84/1303460084.db2.gz WBFORJMGEZUFED-UHFFFAOYSA-N 2 0 332.492 2.306 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001112354771 1304484849 /nfs/dbraw/zinc/48/48/49/1304484849.db2.gz ZQHSIOVDPXVLJF-RXVVDRJESA-N 2 0 345.531 2.493 20 30 EEEDRP CCC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277852436 1304906204 /nfs/dbraw/zinc/90/62/04/1304906204.db2.gz VKRMZFDITQNHCY-CALCHBBNSA-N 2 0 328.460 2.020 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614994 1305515737 /nfs/dbraw/zinc/51/57/37/1305515737.db2.gz XEUFGZQLPNLGLU-UHFFFAOYSA-N 2 0 349.519 2.226 20 30 EEEDRP C[NH+](C)[C@H]1CCN(c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cn2)C1 ZINC001240355885 1309311849 /nfs/dbraw/zinc/31/18/49/1309311849.db2.gz LYRXYYYEBNWJQS-FQEVSTJZSA-N 2 0 347.466 2.447 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC=C)CCCCC2)CC1 ZINC001120196555 1309380622 /nfs/dbraw/zinc/38/06/22/1309380622.db2.gz JAFFSKPWWZTVDR-UHFFFAOYSA-N 2 0 331.504 2.316 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246375662 1310292899 /nfs/dbraw/zinc/29/28/99/1310292899.db2.gz IXKNALOCDKPWBM-SJORKVTESA-N 2 0 346.906 2.486 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819267 1316891851 /nfs/dbraw/zinc/89/18/51/1316891851.db2.gz UYUJCSWBBKHDKV-MSOLQXFVSA-N 2 0 339.524 2.279 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001252471064 1317610355 /nfs/dbraw/zinc/61/03/55/1317610355.db2.gz SXZPNTDEXKECKZ-SRHPJPHMSA-N 2 0 346.515 2.445 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471965 1317610496 /nfs/dbraw/zinc/61/04/96/1317610496.db2.gz LFIBXELGMXZCOY-QHAWAJNXSA-N 2 0 344.499 2.394 20 30 EEEDRP Cc1cc(Cl)nc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1C#N ZINC001157835496 1318895006 /nfs/dbraw/zinc/89/50/06/1318895006.db2.gz CSWYAAWOGWMAJL-UHFFFAOYSA-N 2 0 347.894 2.379 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001258731503 1319330889 /nfs/dbraw/zinc/33/08/89/1319330889.db2.gz YUJFSUWSLCUYNP-MRXNPFEDSA-N 2 0 330.476 2.400 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131477 1320079406 /nfs/dbraw/zinc/07/94/06/1320079406.db2.gz NGNOQMBOYRQIAT-OALUTQOASA-N 2 0 329.488 2.023 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161279769 1320443279 /nfs/dbraw/zinc/44/32/79/1320443279.db2.gz LFXPQZPQFFAZFX-DNVCBOLYSA-N 2 0 331.435 2.118 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161445437 1320503983 /nfs/dbraw/zinc/50/39/83/1320503983.db2.gz RTZYVDGZPSTITG-RTBURBONSA-N 2 0 329.488 2.165 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001162746966 1320948514 /nfs/dbraw/zinc/94/85/14/1320948514.db2.gz KMZYUJQWRVFMCM-GOSISDBHSA-N 2 0 349.906 2.494 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001163001718 1321010276 /nfs/dbraw/zinc/01/02/76/1321010276.db2.gz LZVROGKTQGGQPX-RTBURBONSA-N 2 0 341.499 2.153 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+](CC)CC ZINC001166425062 1321717091 /nfs/dbraw/zinc/71/70/91/1321717091.db2.gz NUHMSVOMOMZBPY-GOSISDBHSA-N 2 0 330.476 2.275 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001166890150 1321810168 /nfs/dbraw/zinc/81/01/68/1321810168.db2.gz CTQHFWYPWAWGCL-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203625753 1321926450 /nfs/dbraw/zinc/92/64/50/1321926450.db2.gz XNIBPXUMJJJUBP-LSDHHAIUSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC=C(C)C)C23CCC3)CC1 ZINC001203770530 1321957469 /nfs/dbraw/zinc/95/74/69/1321957469.db2.gz HDTFKIMRDKQFOE-MOPGFXCFSA-N 2 0 343.515 2.315 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)C)C23CCC3)CC1 ZINC001203774232 1321958272 /nfs/dbraw/zinc/95/82/72/1321958272.db2.gz ZJCQMAKVCWJUPA-OALUTQOASA-N 2 0 345.531 2.395 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686139 1323244705 /nfs/dbraw/zinc/24/47/05/1323244705.db2.gz VGTYUUNBVMPKOJ-PKOBYXMFSA-N 2 0 345.462 2.073 20 30 EEEDRP C=CCOC(=O)N1CCC2(CCC[N@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC001207436999 1323972371 /nfs/dbraw/zinc/97/23/71/1323972371.db2.gz ZHTFRUMSCFAHMP-UHFFFAOYSA-N 2 0 335.492 2.487 20 30 EEEDRP Cc1nc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)c[nH]1 ZINC001276682327 1325242650 /nfs/dbraw/zinc/24/26/50/1325242650.db2.gz JRANVGRTZNJEHE-UHFFFAOYSA-N 2 0 338.459 2.026 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001335440485 1336375436 /nfs/dbraw/zinc/37/54/36/1336375436.db2.gz LRXUDQOLJOQPQX-INIZCTEOSA-N 2 0 349.500 2.042 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200478393 1338356211 /nfs/dbraw/zinc/35/62/11/1338356211.db2.gz ISOCUHFLPGUIAS-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1F ZINC001647585398 1353336343 /nfs/dbraw/zinc/33/63/43/1353336343.db2.gz KGIMVCKPOHGKDE-INIZCTEOSA-N 2 0 346.450 2.185 20 30 EEEDRP C[NH+]1CCN(c2cc(Nc3cc(Cl)cnc3C#N)cc[nH+]2)CC1 ZINC001201659190 1368828291 /nfs/dbraw/zinc/82/82/91/1368828291.db2.gz RKYDDQAONJKVPR-UHFFFAOYSA-N 2 0 328.807 2.497 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)C2)CC1 ZINC001490459203 1369215796 /nfs/dbraw/zinc/21/57/96/1369215796.db2.gz YUHCIKALOKVQTN-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122248843 1371954703 /nfs/dbraw/zinc/95/47/03/1371954703.db2.gz LSCBUAIGEVCYEF-QAELIBMJSA-N 2 0 331.504 2.147 20 30 EEEDRP C=CCCOCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000848994329 1373198020 /nfs/dbraw/zinc/19/80/20/1373198020.db2.gz OEXOMVBLOIGJHB-UHFFFAOYSA-N 2 0 330.476 2.358 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001368110000 1374334294 /nfs/dbraw/zinc/33/42/94/1374334294.db2.gz PLVXKVLETXKCOQ-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001371795715 1375636318 /nfs/dbraw/zinc/63/63/18/1375636318.db2.gz ZRMZSMFOFYASPO-AWEZNQCLSA-N 2 0 346.500 2.233 20 30 EEEDRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001371830380 1375650580 /nfs/dbraw/zinc/65/05/80/1375650580.db2.gz CLOWHUXLMJZXPG-AWEZNQCLSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001373004340 1376349473 /nfs/dbraw/zinc/34/94/73/1376349473.db2.gz XGJYSIXDCHMJBV-CQSZACIVSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)CC1 ZINC001376777645 1378733785 /nfs/dbraw/zinc/73/37/85/1378733785.db2.gz UPCOUFMMWQOZQQ-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001378711513 1380162585 /nfs/dbraw/zinc/16/25/85/1380162585.db2.gz ACMHSTDRZBBGNF-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752836909 1406467283 /nfs/dbraw/zinc/46/72/83/1406467283.db2.gz PYVGBZMPXILRLS-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001755002654 1407022281 /nfs/dbraw/zinc/02/22/81/1407022281.db2.gz WCZNCIRMSYFBJF-HKUYNNGSSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)Cc1cccc(C#N)c1 ZINC001422565322 1400024878 /nfs/dbraw/zinc/02/48/78/1400024878.db2.gz SDQSHZIOHZFEOD-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001574969386 1403529407 /nfs/dbraw/zinc/52/94/07/1403529407.db2.gz HIPVPXUXIRVZCP-KRWDZBQOSA-N 2 0 342.487 2.144 20 30 EEEDRP C=CC[NH2+]CCC[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001755546962 1407621474 /nfs/dbraw/zinc/62/14/74/1407621474.db2.gz AEMGSYDRBCISRT-SFHVURJKSA-N 2 0 327.472 2.496 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755705452 1407757586 /nfs/dbraw/zinc/75/75/86/1407757586.db2.gz YXEJGFVGALVGEX-ICSRJNTNSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755721506 1407781226 /nfs/dbraw/zinc/78/12/26/1407781226.db2.gz BOGCSZSAFOEIEX-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121923813 1410252599 /nfs/dbraw/zinc/25/25/99/1410252599.db2.gz GIRRBPPECGTLPO-WZXTXQKWSA-N 2 0 333.520 2.393 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001075397621 757999247 /nfs/dbraw/zinc/99/92/47/757999247.db2.gz PKAQIRRVINMHMZ-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530100 782630959 /nfs/dbraw/zinc/63/09/59/782630959.db2.gz PESQVZNZHMTDJU-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001105064022 768979934 /nfs/dbraw/zinc/97/99/34/768979934.db2.gz RESXAGKTIDYFCC-QZTJIDSGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494410 769340104 /nfs/dbraw/zinc/34/01/04/769340104.db2.gz NKYPIOKEUHDMMT-WWDZGPRUSA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150672 782985960 /nfs/dbraw/zinc/98/59/60/782985960.db2.gz PZLAPRVPDFDHNC-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212652 783065083 /nfs/dbraw/zinc/06/50/83/783065083.db2.gz GCYNCNCVJMTJCY-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980165983 773991706 /nfs/dbraw/zinc/99/17/06/773991706.db2.gz VTDJZLQNZQIPSA-USXIJHARSA-N 2 0 331.460 2.358 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027930055 774555492 /nfs/dbraw/zinc/55/54/92/774555492.db2.gz MAEDYMQAZBANPM-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089835844 777475529 /nfs/dbraw/zinc/47/55/29/777475529.db2.gz XDOFFZQKEGUIKW-RNQOJCNYSA-N 2 0 348.450 2.140 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099519754 780256808 /nfs/dbraw/zinc/25/68/08/780256808.db2.gz KCNMXBVBAZRYIS-QAETUUGQSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001028332996 780771736 /nfs/dbraw/zinc/77/17/36/780771736.db2.gz AXBXSZIGJIVOMX-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)CC1 ZINC001028334182 780786730 /nfs/dbraw/zinc/78/67/30/780786730.db2.gz WGCGWBUOEDKYPX-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001088321848 783499543 /nfs/dbraw/zinc/49/95/43/783499543.db2.gz PGDBRSOBPDFUJF-MRXNPFEDSA-N 2 0 333.501 2.417 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001088337942 783557733 /nfs/dbraw/zinc/55/77/33/783557733.db2.gz RDEAUOSQPDPKNG-SJORKVTESA-N 2 0 330.476 2.382 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001135391359 783688047 /nfs/dbraw/zinc/68/80/47/783688047.db2.gz RWVHGMJPRCPIDL-HOTGVXAUSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481758 783837839 /nfs/dbraw/zinc/83/78/39/783837839.db2.gz WVKCIRVVTAOZNN-ZWKOTPCHSA-N 2 0 329.488 2.057 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164036 783866387 /nfs/dbraw/zinc/86/63/87/783866387.db2.gz SMJZWCDPRLFREH-LJQANCHMSA-N 2 0 349.475 2.128 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332287 783929648 /nfs/dbraw/zinc/92/96/48/783929648.db2.gz BXVWWJDJCCYFHU-WBVHZDCISA-N 2 0 331.460 2.195 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185675 784024137 /nfs/dbraw/zinc/02/41/37/784024137.db2.gz ZBBFKMNSGOGIJE-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CCCC)C3)CC2)CC1 ZINC001035256178 784204796 /nfs/dbraw/zinc/20/47/96/784204796.db2.gz FYVJWUGYGGIYLL-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135743985 784351764 /nfs/dbraw/zinc/35/17/64/784351764.db2.gz SPEQWUKKAKGLJF-IRXDYDNUSA-N 2 0 347.478 2.392 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035704531 784984503 /nfs/dbraw/zinc/98/45/03/784984503.db2.gz DSXYFAHNAZHVBH-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035825868 785187603 /nfs/dbraw/zinc/18/76/03/785187603.db2.gz GNJSRSYVQBDAJQ-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036224843 786055289 /nfs/dbraw/zinc/05/52/89/786055289.db2.gz MBIOUBYEKPOPFZ-GDBMZVCRSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)CC1(C)C ZINC000996190565 786106236 /nfs/dbraw/zinc/10/62/36/786106236.db2.gz LSPUAVVJEUTYLO-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1)[NH+](C)C ZINC000996315971 786254494 /nfs/dbraw/zinc/25/44/94/786254494.db2.gz VUKLUJYXBDVHBQ-ZWKOTPCHSA-N 2 0 342.487 2.225 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036477211 786482390 /nfs/dbraw/zinc/48/23/90/786482390.db2.gz YEYNMSYPFOVZII-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000825275433 788566109 /nfs/dbraw/zinc/56/61/09/788566109.db2.gz MWSAZGJOQRSZGS-KRWDZBQOSA-N 2 0 344.503 2.483 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946856155 788794566 /nfs/dbraw/zinc/79/45/66/788794566.db2.gz CNMGBRRDRPGZSG-HSALFYBXSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902413 789554247 /nfs/dbraw/zinc/55/42/47/789554247.db2.gz OLHRSTDAOVENAV-KDURUIRLSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCC=C)CC2)CC1 ZINC000997432767 789902665 /nfs/dbraw/zinc/90/26/65/789902665.db2.gz AITUFRBDJCUBOL-QGZVFWFLSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997837402 791256930 /nfs/dbraw/zinc/25/69/30/791256930.db2.gz RURDPBFXQCWOOU-HNNXBMFYSA-N 2 0 328.460 2.001 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001146584478 791336669 /nfs/dbraw/zinc/33/66/69/791336669.db2.gz SMTQXOPUUSLLSS-ROUUACIJSA-N 2 0 341.499 2.405 20 30 EEEDRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001147450103 791841472 /nfs/dbraw/zinc/84/14/72/791841472.db2.gz ZDGODEUCRLEJSE-NRFANRHFSA-N 2 0 349.478 2.437 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001147824709 791983292 /nfs/dbraw/zinc/98/32/92/791983292.db2.gz MTABBNDXWFVZTK-HKUYNNGSSA-N 2 0 345.462 2.003 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998189162 792173141 /nfs/dbraw/zinc/17/31/41/792173141.db2.gz LXOKDTHPDCADMO-JKSUJKDBSA-N 2 0 327.900 2.394 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981784 792351159 /nfs/dbraw/zinc/35/11/59/792351159.db2.gz GHAKKDQDXFMWKI-HKUYNNGSSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001148360033 792389566 /nfs/dbraw/zinc/38/95/66/792389566.db2.gz KYZDXVREIDIDFX-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998271695 792416199 /nfs/dbraw/zinc/41/61/99/792416199.db2.gz YGXTXWKXEVMQSY-UONOGXRCSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924461 792996560 /nfs/dbraw/zinc/99/65/60/792996560.db2.gz SYIHQUVJHHVESQ-KZNAEPCWSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947353 793049052 /nfs/dbraw/zinc/04/90/52/793049052.db2.gz VVIFEUGJODSANW-QGZVFWFLSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)CC1 ZINC001086958422 793103566 /nfs/dbraw/zinc/10/35/66/793103566.db2.gz PUUZKQCJUAVSIS-SFHVURJKSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@H]12 ZINC000992353146 793776419 /nfs/dbraw/zinc/77/64/19/793776419.db2.gz RHHDJNFWBIDGHN-AZUAARDMSA-N 2 0 349.438 2.017 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411537 793858959 /nfs/dbraw/zinc/85/89/59/793858959.db2.gz ATLDYPXAIBYHAT-KZNAEPCWSA-N 2 0 339.524 2.112 20 30 EEEDRP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000089061765 793882224 /nfs/dbraw/zinc/88/22/24/793882224.db2.gz VZLJHDIZKMTFHM-HNNXBMFYSA-N 2 0 335.521 2.396 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311139 794600310 /nfs/dbraw/zinc/60/03/10/794600310.db2.gz QUSSNVQQAWHYRI-HHXXYDBFSA-N 2 0 345.462 2.238 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717581 794611595 /nfs/dbraw/zinc/61/15/95/794611595.db2.gz YBTKKWJKGUKPSB-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106244546 795280723 /nfs/dbraw/zinc/28/07/23/795280723.db2.gz PCZMHGQZXYYJII-DJIMGWMZSA-N 2 0 341.927 2.401 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334146 795744712 /nfs/dbraw/zinc/74/47/12/795744712.db2.gz DSXXMDATJPIKTG-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497085 796289106 /nfs/dbraw/zinc/28/91/06/796289106.db2.gz NYUAIOVCUURPKA-QKNQBKEWSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902957 796441645 /nfs/dbraw/zinc/44/16/45/796441645.db2.gz SOVLDZGIEANUED-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543149 798004678 /nfs/dbraw/zinc/00/46/78/798004678.db2.gz HNGGYLSEWAQOQL-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188928 798204447 /nfs/dbraw/zinc/20/44/47/798204447.db2.gz WNVMQZJTMKOEDK-QYZOEREBSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176575015 798502768 /nfs/dbraw/zinc/50/27/68/798502768.db2.gz XWWVFYVXLICFQB-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001176575386 798503149 /nfs/dbraw/zinc/50/31/49/798503149.db2.gz ZZKQNLVDIQDSQB-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176844220 798587492 /nfs/dbraw/zinc/58/74/92/798587492.db2.gz GOAOUAPFFBZLEU-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101319 798675227 /nfs/dbraw/zinc/67/52/27/798675227.db2.gz DRVFHROYZDISNF-AABGKKOBSA-N 2 0 345.531 2.443 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085152672 798727192 /nfs/dbraw/zinc/72/71/92/798727192.db2.gz NAXUMYWFSSVQPM-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001177489304 798979482 /nfs/dbraw/zinc/97/94/82/798979482.db2.gz ZJAZTTDQNZZNDY-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=CC[NH2+]CCCCCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001179000561 799739784 /nfs/dbraw/zinc/73/97/84/799739784.db2.gz JUOYTJPGLLNGTK-UHFFFAOYSA-N 2 0 327.432 2.333 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554285 799989669 /nfs/dbraw/zinc/98/96/69/799989669.db2.gz ZCUJZVCCIJIJMG-HKUYNNGSSA-N 2 0 329.488 2.316 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001179982627 800197943 /nfs/dbraw/zinc/19/79/43/800197943.db2.gz BWQKHOWTXIPZFO-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001180581200 800467150 /nfs/dbraw/zinc/46/71/50/800467150.db2.gz BTNSIDIXGQIPSQ-KRWDZBQOSA-N 2 0 340.471 2.145 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001181640823 800846667 /nfs/dbraw/zinc/84/66/67/800846667.db2.gz GCRXZHZSEFYONY-UKPHBRMFSA-N 2 0 347.906 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001004208120 801288052 /nfs/dbraw/zinc/28/80/52/801288052.db2.gz LULIVMZOXLWLCG-UHFFFAOYSA-N 2 0 343.515 2.413 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184411608 802024115 /nfs/dbraw/zinc/02/41/15/802024115.db2.gz FLJAJNCTKFVDCB-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCC)CC1 ZINC001004460254 802127887 /nfs/dbraw/zinc/12/78/87/802127887.db2.gz YOBSRIJSFSYKMH-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001005001285 803426133 /nfs/dbraw/zinc/42/61/33/803426133.db2.gz IZLMTIGGCJVGIT-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001005001293 803426161 /nfs/dbraw/zinc/42/61/61/803426161.db2.gz IZLMTIGGCJVGIT-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395137 803445840 /nfs/dbraw/zinc/44/58/40/803445840.db2.gz OVMFSMFRNSTOMU-HKUYNNGSSA-N 2 0 339.524 2.116 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809511 804085463 /nfs/dbraw/zinc/08/54/63/804085463.db2.gz IESOJBIYLLPPSW-ICSRJNTNSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108739366 804433768 /nfs/dbraw/zinc/43/37/68/804433768.db2.gz YYCFTYSZWXDXRN-BZSNNMDCSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109447144 805480685 /nfs/dbraw/zinc/48/06/85/805480685.db2.gz CEXBBYRDFXPBEJ-SQNIBIBYSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001436996750 1088737638 /nfs/dbraw/zinc/73/76/38/1088737638.db2.gz KSXCYONLOPMIFJ-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001438961769 1091654931 /nfs/dbraw/zinc/65/49/31/1091654931.db2.gz MCUUIMYFGPMWEN-HZPDHXFCSA-N 2 0 327.900 2.489 20 30 EEEDRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001442233622 1096533465 /nfs/dbraw/zinc/53/34/65/1096533465.db2.gz OWVCPLPIMVBYOL-UHFFFAOYSA-N 2 0 340.471 2.122 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001496371130 1100964700 /nfs/dbraw/zinc/96/47/00/1100964700.db2.gz YINGSIWYEFOFRL-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001496906511 1101700351 /nfs/dbraw/zinc/70/03/51/1101700351.db2.gz CWNQERMQUMQAFI-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001448095008 1103991061 /nfs/dbraw/zinc/99/10/61/1103991061.db2.gz KXIKEFPWKSCEAN-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)CC[NH2+]CC1 ZINC000423160070 240389799 /nfs/dbraw/zinc/38/97/99/240389799.db2.gz GTAZWIZSSNNMIR-CYBMUJFWSA-N 2 0 333.407 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000491474446 533148438 /nfs/dbraw/zinc/14/84/38/533148438.db2.gz MUHMVBQPDRRUQD-DOTOQJQBSA-N 2 0 331.460 2.170 20 30 EEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(C#N)ccc1OC ZINC000344177873 161205242 /nfs/dbraw/zinc/20/52/42/161205242.db2.gz SRGDNYRIWAEKOA-UHFFFAOYSA-N 2 0 344.503 2.416 20 30 EEEDRP Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000364643571 165216547 /nfs/dbraw/zinc/21/65/47/165216547.db2.gz GMRUNLRUALPUIS-ZDUSSCGKSA-N 2 0 333.867 2.496 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653484 782021879 /nfs/dbraw/zinc/02/18/79/782021879.db2.gz ZWSNPERLLVMCLZ-DOTOQJQBSA-N 2 0 325.416 2.036 20 30 EEEDRP CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000329089525 465230012 /nfs/dbraw/zinc/23/00/12/465230012.db2.gz IMUCIBRWLWFJSO-UHFFFAOYSA-N 2 0 329.448 2.055 20 30 EEEDRP COCCNC(=[NH2+])NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000066243452 462866028 /nfs/dbraw/zinc/86/60/28/462866028.db2.gz ZSMWZTRFTNOFMI-HOTGVXAUSA-N 2 0 332.492 2.215 20 30 EEEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160673082 463361027 /nfs/dbraw/zinc/36/10/27/463361027.db2.gz PBEGSGPQNLCEBE-UHFFFAOYSA-N 2 0 348.369 2.280 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555457 463615459 /nfs/dbraw/zinc/61/54/59/463615459.db2.gz YYCBZGJMHCQJJL-QZTJIDSGSA-N 2 0 336.524 2.326 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555454 463616109 /nfs/dbraw/zinc/61/61/09/463616109.db2.gz YYCBZGJMHCQJJL-ROUUACIJSA-N 2 0 336.524 2.326 20 30 EEEDRP CC[NH+]=C(NCCc1ccncc1C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261659885 463819524 /nfs/dbraw/zinc/81/95/24/463819524.db2.gz FUVPIFLUHMMNNW-BBWFWOEESA-N 2 0 330.476 2.301 20 30 EEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262178177 463965972 /nfs/dbraw/zinc/96/59/72/463965972.db2.gz WJEYIJHRPWTRND-INIZCTEOSA-N 2 0 335.879 2.384 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262813154 464048491 /nfs/dbraw/zinc/04/84/91/464048491.db2.gz VTIXOPVYGCIMHV-DLBZAZTESA-N 2 0 340.471 2.074 20 30 EEEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264119755 464285588 /nfs/dbraw/zinc/28/55/88/464285588.db2.gz UPVZAEBRXFXCTH-HNNXBMFYSA-N 2 0 331.508 2.304 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000267435058 464932421 /nfs/dbraw/zinc/93/24/21/464932421.db2.gz NQLVPKUOOLZSRM-CQSZACIVSA-N 2 0 335.471 2.170 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000267476427 464934791 /nfs/dbraw/zinc/93/47/91/464934791.db2.gz ZJDLKTHANLVLPN-HNNXBMFYSA-N 2 0 331.439 2.238 20 30 EEEDRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330033564 465512672 /nfs/dbraw/zinc/51/26/72/465512672.db2.gz VQOGFLOWNNTYRP-SMDDNHRTSA-N 2 0 330.436 2.010 20 30 EEEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345804399 465905277 /nfs/dbraw/zinc/90/52/77/465905277.db2.gz ZGTJKXNWJXXLQR-INIZCTEOSA-N 2 0 334.508 2.381 20 30 EEEDRP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)C1=O ZINC000420316024 467352143 /nfs/dbraw/zinc/35/21/43/467352143.db2.gz SMOYHCXEDYMKLL-UFYCRDLUSA-N 2 0 341.499 2.445 20 30 EEEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708313 467577206 /nfs/dbraw/zinc/57/72/06/467577206.db2.gz FTQLBUMNZOXCJD-UXHICEINSA-N 2 0 326.488 2.476 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000530539741 467992224 /nfs/dbraw/zinc/99/22/24/467992224.db2.gz YZEXPJIWBQVSEI-GOSISDBHSA-N 2 0 330.476 2.026 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000490594217 468223309 /nfs/dbraw/zinc/22/33/09/468223309.db2.gz NMLQPSTUHBZNHF-FXAWDEMLSA-N 2 0 339.483 2.283 20 30 EEEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(CC#N)CC1 ZINC000602826591 469100551 /nfs/dbraw/zinc/10/05/51/469100551.db2.gz CCKSCBSBMFKACI-UHFFFAOYSA-N 2 0 326.488 2.430 20 30 EEEDRP CCC(C#N)(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000599238442 469174723 /nfs/dbraw/zinc/17/47/23/469174723.db2.gz XRJJRCOZKOCGQW-UHFFFAOYSA-N 2 0 343.475 2.040 20 30 EEEDRP Cc1cc(NCC[C@@H](C)[NH+](C)C)c(C#N)c(NCC[C@H](C)[NH+](C)C)n1 ZINC000596431805 469264708 /nfs/dbraw/zinc/26/47/08/469264708.db2.gz NHDXOWDOHMEIPD-CVEARBPZSA-N 2 0 346.523 2.766 20 30 EEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000602607562 469382494 /nfs/dbraw/zinc/38/24/94/469382494.db2.gz YTIKERRSGOQVGZ-MRXNPFEDSA-N 2 0 346.475 2.211 20 30 EEEDRP C=CCOc1ccc(CN2CCN(c3nccn3C)CC2)cc1OC ZINC000668793602 472270853 /nfs/dbraw/zinc/27/08/53/472270853.db2.gz HGVLTQGMUIIEIT-UHFFFAOYSA-N 2 0 342.443 2.316 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000171690526 526434309 /nfs/dbraw/zinc/43/43/09/526434309.db2.gz RJSMSGRCUDNWPM-HNNXBMFYSA-N 2 0 336.505 2.300 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708766 527022521 /nfs/dbraw/zinc/02/25/21/527022521.db2.gz BZTFZGPRRVAQAL-QGZVFWFLSA-N 2 0 327.472 2.290 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619003 676272752 /nfs/dbraw/zinc/27/27/52/676272752.db2.gz IUSOEHLBKNIWCR-APWZRJJASA-N 2 0 336.439 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCF)CC[C@@H]32)CC1 ZINC001021739130 676397063 /nfs/dbraw/zinc/39/70/63/676397063.db2.gz GRNSPINITHEWMH-OALUTQOASA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC4CC4)CC[C@H]32)CC1 ZINC001021738891 676397152 /nfs/dbraw/zinc/39/71/52/676397152.db2.gz DLKXWODBCHJCEX-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000891520665 676683187 /nfs/dbraw/zinc/68/31/87/676683187.db2.gz OQXLRBVCGSLHSG-GOSISDBHSA-N 2 0 344.503 2.286 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761932 679568996 /nfs/dbraw/zinc/56/89/96/679568996.db2.gz MXKHSFGCMYBNKR-SFHVURJKSA-N 2 0 327.472 2.213 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001024365993 679883489 /nfs/dbraw/zinc/88/34/89/679883489.db2.gz LSJXKQOZMRMZQM-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CC(C)C)C[C@]3(C)C2)CC1 ZINC000982831756 681352852 /nfs/dbraw/zinc/35/28/52/681352852.db2.gz QGRRZDSFVWRDNJ-OYRHEFFESA-N 2 0 345.531 2.158 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001025168603 682144178 /nfs/dbraw/zinc/14/41/78/682144178.db2.gz OPHNTKZSSKZUHC-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245964 682314107 /nfs/dbraw/zinc/31/41/07/682314107.db2.gz AUJSIEIPTDVVBF-OALUTQOASA-N 2 0 343.515 2.484 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247144 682316003 /nfs/dbraw/zinc/31/60/03/682316003.db2.gz IRWNMRFCCCMJNS-OALUTQOASA-N 2 0 336.439 2.427 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461498 682829202 /nfs/dbraw/zinc/82/92/02/682829202.db2.gz UPOGVUWGMZTKDV-NVXWUHKLSA-N 2 0 338.455 2.496 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC000992859279 683608674 /nfs/dbraw/zinc/60/86/74/683608674.db2.gz ODIVZYOYWHOXNW-DJIMGWMZSA-N 2 0 328.460 2.164 20 30 EEEDRP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000262503129 686503694 /nfs/dbraw/zinc/50/36/94/686503694.db2.gz ALOOWAPUHDKYTG-UHFFFAOYSA-N 2 0 340.855 2.186 20 30 EEEDRP C=C(Cl)CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040116602 687134869 /nfs/dbraw/zinc/13/48/69/687134869.db2.gz ZFTAXWBOSDLZFM-RDJZCZTQSA-N 2 0 325.884 2.148 20 30 EEEDRP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccc(C#N)s1 ZINC001486178759 1193716331 /nfs/dbraw/zinc/71/63/31/1193716331.db2.gz DWODVYZEAOROSD-RHSMWYFYSA-N 2 0 348.516 2.431 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H](C)C1 ZINC000944124011 1192897861 /nfs/dbraw/zinc/89/78/61/1192897861.db2.gz ZGXIWPSJWNIGJW-WBVHZDCISA-N 2 0 339.443 2.284 20 30 EEEDRP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001481726816 1182383404 /nfs/dbraw/zinc/38/34/04/1182383404.db2.gz ODARMDDBZCVSFE-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482342887 1185453748 /nfs/dbraw/zinc/45/37/48/1185453748.db2.gz FCWOSFZXDALTRO-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001105438247 1187118068 /nfs/dbraw/zinc/11/80/68/1187118068.db2.gz BIJBJQZRUZFTNI-IRFCIJBXSA-N 2 0 341.499 2.156 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105558649 1188175843 /nfs/dbraw/zinc/17/58/43/1188175843.db2.gz CMVUDNYKXBKPGB-KRWDZBQOSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563919 1188179686 /nfs/dbraw/zinc/17/96/86/1188179686.db2.gz UCKNCYXCHYWJJP-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105564073 1188180383 /nfs/dbraw/zinc/18/03/83/1188180383.db2.gz VWAVJLPPNBNDPW-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335443 1188299135 /nfs/dbraw/zinc/29/91/35/1188299135.db2.gz ITLUGPQGKCBQRA-SFHVURJKSA-N 2 0 333.520 2.396 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244299 1188805882 /nfs/dbraw/zinc/80/58/82/1188805882.db2.gz NWJSZVTWBWJNTR-FCEWJHQRSA-N 2 0 337.483 2.308 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447030 1188923281 /nfs/dbraw/zinc/92/32/81/1188923281.db2.gz MXZUIKLEQUBKFP-RBUKOAKNSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486207348 1193720420 /nfs/dbraw/zinc/72/04/20/1193720420.db2.gz QKYAPJSTKBOZJU-CABCVRRESA-N 2 0 325.884 2.242 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538891 1196362017 /nfs/dbraw/zinc/36/20/17/1196362017.db2.gz VOMWAABGPYFEMO-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034795183 1196732116 /nfs/dbraw/zinc/73/21/16/1196732116.db2.gz UYKKWLDRSAPXGQ-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001034956505 1196916961 /nfs/dbraw/zinc/91/69/61/1196916961.db2.gz ABOIMJQJKYMKOY-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001114445604 1200072431 /nfs/dbraw/zinc/07/24/31/1200072431.db2.gz UAQHOYDROKJQQB-XWTMOSNGSA-N 2 0 330.476 2.483 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011583 1200332907 /nfs/dbraw/zinc/33/29/07/1200332907.db2.gz KTEXWPVAFXOVIN-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011584 1200333225 /nfs/dbraw/zinc/33/32/25/1200333225.db2.gz KTEXWPVAFXOVIN-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000887132966 1204213078 /nfs/dbraw/zinc/21/30/78/1204213078.db2.gz RBAAUPVIVAFJBV-INIZCTEOSA-N 2 0 349.438 2.493 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CCCc1ccc(C#N)cc1)C2 ZINC001274892470 1205202158 /nfs/dbraw/zinc/20/21/58/1205202158.db2.gz RTCVKUBVIRAIMF-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC001276242925 1205851217 /nfs/dbraw/zinc/85/12/17/1205851217.db2.gz SJGSYRSJSUKOMG-HDICACEKSA-N 2 0 344.478 2.403 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568095 1208624263 /nfs/dbraw/zinc/62/42/63/1208624263.db2.gz JDEBINRDLFFPJL-IEBWSBKVSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948952967 1209471678 /nfs/dbraw/zinc/47/16/78/1209471678.db2.gz BDEBQDUDBLCRFI-HXUWFJFHSA-N 2 0 339.483 2.067 20 30 EEEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000303890939 1213921435 /nfs/dbraw/zinc/92/14/35/1213921435.db2.gz QIFAPEFIGBZUFS-MRXNPFEDSA-N 2 0 331.508 2.249 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000304749114 1216102552 /nfs/dbraw/zinc/10/25/52/1216102552.db2.gz HNGMFZHKSLLVGD-OAHLLOKOSA-N 2 0 332.448 2.449 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000304751999 1216102586 /nfs/dbraw/zinc/10/25/86/1216102586.db2.gz JUKOHUVOVOMFQU-RBUKOAKNSA-N 3 0 343.519 2.040 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC000960044407 1216319525 /nfs/dbraw/zinc/31/95/25/1216319525.db2.gz RFTMJCUHENCVLY-RBUKOAKNSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC000960136870 1216378611 /nfs/dbraw/zinc/37/86/11/1216378611.db2.gz NYEQGRGQHVHDMO-OALUTQOASA-N 2 0 342.487 2.369 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000960297049 1216479219 /nfs/dbraw/zinc/47/92/19/1216479219.db2.gz SSLQMARENBMTMT-QZTJIDSGSA-N 2 0 327.472 2.419 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226489 1217097589 /nfs/dbraw/zinc/09/75/89/1217097589.db2.gz HCPBONQIRHPIIM-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961396148 1217173433 /nfs/dbraw/zinc/17/34/33/1217173433.db2.gz MLVZPHGWICQYDE-YSIASYRMSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016625926 1226700691 /nfs/dbraw/zinc/70/06/91/1226700691.db2.gz QAEHULCPEDAWRR-HKUYNNGSSA-N 2 0 343.515 2.245 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916856 1226969066 /nfs/dbraw/zinc/96/90/66/1226969066.db2.gz XFQCZOZFPYBUJG-LJQANCHMSA-N 2 0 343.515 2.102 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018968058 1228587270 /nfs/dbraw/zinc/58/72/70/1228587270.db2.gz RCRHGLHHYFHDDI-HOCLYGCPSA-N 2 0 325.884 2.336 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001020251449 1229583582 /nfs/dbraw/zinc/58/35/82/1229583582.db2.gz NHZAPUBPBQHYEG-QZHFEQFPSA-N 2 0 343.446 2.221 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038369978 1229773848 /nfs/dbraw/zinc/77/38/48/1229773848.db2.gz ZHLXWZKQULKIDI-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182213 1230409152 /nfs/dbraw/zinc/40/91/52/1230409152.db2.gz LCSHGQDUMBINOU-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182917 1230410050 /nfs/dbraw/zinc/41/00/50/1230410050.db2.gz UMZFZDXWTACCCJ-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC001040259668 1231137510 /nfs/dbraw/zinc/13/75/10/1231137510.db2.gz YBIZXQADBJENJZ-IBGZPJMESA-N 2 0 330.476 2.427 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040545075 1231285722 /nfs/dbraw/zinc/28/57/22/1231285722.db2.gz MQJOZDWEEWOQRV-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040954051 1231409318 /nfs/dbraw/zinc/40/93/18/1231409318.db2.gz WASYCLUPKASWER-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357663 1231519052 /nfs/dbraw/zinc/51/90/52/1231519052.db2.gz IBKHVXMDUHMSBF-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591137 1231613260 /nfs/dbraw/zinc/61/32/60/1231613260.db2.gz WHUQFIIFBYBJLD-CTNGQTDRSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724351 1231662947 /nfs/dbraw/zinc/66/29/47/1231662947.db2.gz VLRLWSSGJAMNOZ-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046942522 1235336356 /nfs/dbraw/zinc/33/63/56/1235336356.db2.gz KEGUUOZEQGCARD-HOTGVXAUSA-N 2 0 343.462 2.224 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047253955 1235757547 /nfs/dbraw/zinc/75/75/47/1235757547.db2.gz LCODZIACNXHMDL-RBUKOAKNSA-N 2 0 333.520 2.156 20 30 EEEDRP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056841 1237033125 /nfs/dbraw/zinc/03/31/25/1237033125.db2.gz BGJHCPKCMJAPOA-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525115 1237861896 /nfs/dbraw/zinc/86/18/96/1237861896.db2.gz LLZSHGJAZSZEDA-SWBPCFCJSA-N 2 0 343.515 2.243 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001048530754 1237885242 /nfs/dbraw/zinc/88/52/42/1237885242.db2.gz AUKCIYYGZHGRBQ-FCGDIQPGSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820366 1238738894 /nfs/dbraw/zinc/73/88/94/1238738894.db2.gz GQSFLPOOUCUXNY-QRVBRYPASA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000153804 1240004359 /nfs/dbraw/zinc/00/43/59/1240004359.db2.gz LSYWEZMONVKZAN-IEBWSBKVSA-N 2 0 343.515 2.245 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194486 1240050064 /nfs/dbraw/zinc/05/00/64/1240050064.db2.gz VTALLYONSUGCDX-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560556 1241420120 /nfs/dbraw/zinc/42/01/20/1241420120.db2.gz FCIKVOPRBVUELV-RBUKOAKNSA-N 2 0 336.439 2.345 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001001618519 1242555904 /nfs/dbraw/zinc/55/59/04/1242555904.db2.gz BEZOEPJEKOZXLY-UHFFFAOYSA-N 2 0 339.443 2.285 20 30 EEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097577664 1244377053 /nfs/dbraw/zinc/37/70/53/1244377053.db2.gz ORAUZNKYQBLBFB-QRQLOZEOSA-N 2 0 327.472 2.312 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419497 1247236944 /nfs/dbraw/zinc/23/69/44/1247236944.db2.gz NRBVWLXAUSMIIK-MRXNPFEDSA-N 2 0 333.501 2.417 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144181 1247513751 /nfs/dbraw/zinc/51/37/51/1247513751.db2.gz RIOYJVGPHYJVJB-FPOVZHCZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589804 1247619162 /nfs/dbraw/zinc/61/91/62/1247619162.db2.gz OZCSKSTXQMOSSD-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099583553 1258227233 /nfs/dbraw/zinc/22/72/33/1258227233.db2.gz UYKVRDFDONKGEQ-KRWDZBQOSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)[C@@H]2C1 ZINC001188405139 1279882864 /nfs/dbraw/zinc/88/28/64/1279882864.db2.gz ARNXZUCTIXMCTO-RVKKMQEKSA-N 2 0 346.475 2.237 20 30 EEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408120 1282475695 /nfs/dbraw/zinc/47/56/95/1282475695.db2.gz DPENIAOAFCIUQM-UYAOXDASSA-N 2 0 327.472 2.019 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766580 1285351131 /nfs/dbraw/zinc/35/11/31/1285351131.db2.gz CRCSJZIMXCHOMA-AEFFLSMTSA-N 2 0 333.476 2.214 20 30 EEEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202060208 1289893058 /nfs/dbraw/zinc/89/30/58/1289893058.db2.gz VEVDSOWHDBJIRP-GOSISDBHSA-N 2 0 339.524 2.260 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC001202208677 1289942846 /nfs/dbraw/zinc/94/28/46/1289942846.db2.gz UIRITUXZJMINNO-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001488736090 1290155436 /nfs/dbraw/zinc/15/54/36/1290155436.db2.gz NKFONUMUCAEUFM-GASCZTMLSA-N 2 0 327.900 2.488 20 30 EEEDRP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000852857354 1292216889 /nfs/dbraw/zinc/21/68/89/1292216889.db2.gz QMKWOGYVJOSGKT-UHFFFAOYSA-N 2 0 339.483 2.292 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824747 1298321568 /nfs/dbraw/zinc/32/15/68/1298321568.db2.gz OMAOIHHULHEVAW-XHSDSOJGSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353857 1299076770 /nfs/dbraw/zinc/07/67/70/1299076770.db2.gz HSANMADTYKWVLD-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001099548724 1299210166 /nfs/dbraw/zinc/21/01/66/1299210166.db2.gz ZOLGIRXGQWLOGM-VJANTYMQSA-N 2 0 343.515 2.217 20 30 EEEDRP C#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)cc1 ZINC001222130974 1299375388 /nfs/dbraw/zinc/37/53/88/1299375388.db2.gz MKKMXGZPIQYOQQ-ICSRJNTNSA-N 2 0 326.440 2.033 20 30 EEEDRP C#CCCC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCO3)CC2)CC1 ZINC001276980646 1300647161 /nfs/dbraw/zinc/64/71/61/1300647161.db2.gz DODJDAXJZZZWPO-UHFFFAOYSA-N 2 0 347.503 2.130 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001229243746 1302693609 /nfs/dbraw/zinc/69/36/09/1302693609.db2.gz QNKDCMJXFYBXBF-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230716149 1303411390 /nfs/dbraw/zinc/41/13/90/1303411390.db2.gz BMCJMQBKHSRJCY-GOSISDBHSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1cccnc1 ZINC001230778278 1303450050 /nfs/dbraw/zinc/45/00/50/1303450050.db2.gz MOQVQMKXNBDLNJ-UHFFFAOYSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198279 1304320959 /nfs/dbraw/zinc/32/09/59/1304320959.db2.gz MDWAZDYNRVKJHY-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001112444032 1304554316 /nfs/dbraw/zinc/55/43/16/1304554316.db2.gz AOGZKPSNQWOFAI-ZVDOUQERSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001235280407 1305176415 /nfs/dbraw/zinc/17/64/15/1305176415.db2.gz JJUKMNLLXIDJNV-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CC(C)(C)CO)C[C@H]3CC2)cc1C#N ZINC001277967549 1305377407 /nfs/dbraw/zinc/37/74/07/1305377407.db2.gz AUOTXKQLISUTKI-HDICACEKSA-N 2 0 344.503 2.059 20 30 EEEDRP C#CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000830343319 1314534120 /nfs/dbraw/zinc/53/41/20/1314534120.db2.gz SLAJYYFOPFLLDD-XLIONFOSSA-N 2 0 339.483 2.111 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749999 1314955581 /nfs/dbraw/zinc/95/55/81/1314955581.db2.gz RTZBGRVDROUAJF-UHFFFAOYSA-N 2 0 345.487 2.198 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203123397 1315703520 /nfs/dbraw/zinc/70/35/20/1315703520.db2.gz UZIXTSOEPMEQFB-MSOLQXFVSA-N 2 0 336.439 2.297 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001151327575 1316505165 /nfs/dbraw/zinc/50/51/65/1316505165.db2.gz ZPEILBRXYUVAPL-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001252450944 1317604148 /nfs/dbraw/zinc/60/41/48/1317604148.db2.gz JVOHWHJVEQHOGS-HXUWFJFHSA-N 2 0 332.488 2.442 20 30 EEEDRP C[C@H]1CN(O)C(=O)[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255131084 1318295237 /nfs/dbraw/zinc/29/52/37/1318295237.db2.gz XWENBOWNMWBHTP-FUJDEKNSSA-N 2 0 329.444 2.008 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)s1 ZINC001158040741 1318981736 /nfs/dbraw/zinc/98/17/36/1318981736.db2.gz YYFIPYOBTLBHAI-CABCVRRESA-N 2 0 346.500 2.090 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159328672 1319742539 /nfs/dbraw/zinc/74/25/39/1319742539.db2.gz VOCZOSHIDQMYJH-INIZCTEOSA-N 2 0 334.489 2.090 20 30 EEEDRP N#CC1(Nc2cc3c(nn2)CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001160100635 1320069970 /nfs/dbraw/zinc/06/99/70/1320069970.db2.gz LTSIBYZWWYXUKK-UHFFFAOYSA-N 2 0 348.454 2.093 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161445427 1320504075 /nfs/dbraw/zinc/50/40/75/1320504075.db2.gz RTZYVDGZPSTITG-OALUTQOASA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161674792 1320583579 /nfs/dbraw/zinc/58/35/79/1320583579.db2.gz XEFHBICMYUJBCG-IBGZPJMESA-N 2 0 331.504 2.413 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704687 1320594880 /nfs/dbraw/zinc/59/48/80/1320594880.db2.gz GBEXTMZBGVHYHP-OALUTQOASA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001162911262 1320986678 /nfs/dbraw/zinc/98/66/78/1320986678.db2.gz KDMQZOXFMJVZDE-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001162928091 1320989813 /nfs/dbraw/zinc/98/98/13/1320989813.db2.gz FAXKRXMKZXWJET-PKOBYXMFSA-N 2 0 329.488 2.031 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484948 1321533047 /nfs/dbraw/zinc/53/30/47/1321533047.db2.gz IJYUMALVHNJNRB-SFHVURJKSA-N 2 0 331.504 2.293 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](CC)CC ZINC001166426005 1321717610 /nfs/dbraw/zinc/71/76/10/1321717610.db2.gz ZNYDEPXYEPHHLL-GOSISDBHSA-N 2 0 348.466 2.414 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205417233 1323122726 /nfs/dbraw/zinc/12/27/26/1323122726.db2.gz VYUXQEOJLVAWHK-IPMKNSEASA-N 2 0 345.462 2.073 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205436762 1323131961 /nfs/dbraw/zinc/13/19/61/1323131961.db2.gz GZXOZFASWXPQAG-OTWHNJEPSA-N 2 0 345.462 2.073 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452380 1323142572 /nfs/dbraw/zinc/14/25/72/1323142572.db2.gz CLUHDWKSOXGZLW-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001206287777 1323447845 /nfs/dbraw/zinc/44/78/45/1323447845.db2.gz IGFLFHDMVNLGFZ-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208604755 1324585663 /nfs/dbraw/zinc/58/56/63/1324585663.db2.gz SZGXIMHUQZRFQU-PKOBYXMFSA-N 2 0 335.492 2.439 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520949 1352861672 /nfs/dbraw/zinc/86/16/72/1352861672.db2.gz QMIIKDZPTMTGQH-DLBZAZTESA-N 2 0 331.460 2.008 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001366435831 1373897639 /nfs/dbraw/zinc/89/76/39/1373897639.db2.gz UTMIYMUPGQAKQN-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1cc(C#N)ccc1F ZINC001367249607 1374144570 /nfs/dbraw/zinc/14/45/70/1374144570.db2.gz XHZXQFGLBUWADF-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC001369400065 1374531946 /nfs/dbraw/zinc/53/19/46/1374531946.db2.gz KMCRYVNQIJCLGM-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381485328 1381623500 /nfs/dbraw/zinc/62/35/00/1381623500.db2.gz ONSXGERGUKEWJG-GOSISDBHSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2cc(C#N)ccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001382283227 1382050125 /nfs/dbraw/zinc/05/01/25/1382050125.db2.gz HMEXFLRLJKWRES-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cccc(C#N)c1 ZINC001390969267 1388925511 /nfs/dbraw/zinc/92/55/11/1388925511.db2.gz ZQURGCUOJZIJEC-UHFFFAOYSA-N 2 0 344.503 2.474 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001391111370 1389042262 /nfs/dbraw/zinc/04/22/62/1389042262.db2.gz MFLXIPOPMLVUSP-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001752920922 1406548685 /nfs/dbraw/zinc/54/86/85/1406548685.db2.gz ISKMPGSWMJBFEC-OAHLLOKOSA-N 2 0 347.890 2.280 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)CCC1 ZINC001399876007 1395590569 /nfs/dbraw/zinc/59/05/69/1395590569.db2.gz WXIPPTQFELFTHR-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401137788 1396970944 /nfs/dbraw/zinc/97/09/44/1396970944.db2.gz AHJMXWURBJIVLP-OAHLLOKOSA-N 2 0 348.516 2.194 20 30 EEEDRP CC#CC[NH+]1CCC(CCCCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755074088 1407082645 /nfs/dbraw/zinc/08/26/45/1407082645.db2.gz OQFFDXRVFCAQET-UHFFFAOYSA-N 2 0 345.531 2.494 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1 ZINC001424198343 1400964519 /nfs/dbraw/zinc/96/45/19/1400964519.db2.gz QWDJVLGSDCZCMB-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001755248813 1407260319 /nfs/dbraw/zinc/26/03/19/1407260319.db2.gz KCPITQWZVOCLRN-HOTGVXAUSA-N 2 0 333.451 2.002 20 30 EEEDRP CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577627629 1403665619 /nfs/dbraw/zinc/66/56/19/1403665619.db2.gz JYVIIWBWIRDSRL-MSOLQXFVSA-N 2 0 328.460 2.131 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001755685558 1407731270 /nfs/dbraw/zinc/73/12/70/1407731270.db2.gz ZAUVKJNJWXTHAM-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100675844 1410694664 /nfs/dbraw/zinc/69/46/64/1410694664.db2.gz ADRQBXJJVQXJBP-QHGAOEGBSA-N 2 0 339.483 2.007 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100675843 1410694856 /nfs/dbraw/zinc/69/48/56/1410694856.db2.gz ADRQBXJJVQXJBP-KKXNLOMOSA-N 2 0 339.483 2.007 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001168030982 782424003 /nfs/dbraw/zinc/42/40/03/782424003.db2.gz WMDKGAGLXJYXAU-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461552 760933317 /nfs/dbraw/zinc/93/33/17/760933317.db2.gz KZSKBSVIEZUDNJ-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCC)[C@H]3C2(C)C)CC1 ZINC001087317077 761613474 /nfs/dbraw/zinc/61/34/74/761613474.db2.gz CFLQZJZWHDWJHZ-GUDVDZBRSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001098606166 765204637 /nfs/dbraw/zinc/20/46/37/765204637.db2.gz OXRYGGUTPVJONT-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089423665 769000717 /nfs/dbraw/zinc/00/07/17/769000717.db2.gz MPXXXKNTPDIFCX-INIZCTEOSA-N 2 0 338.455 2.496 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560505 770357797 /nfs/dbraw/zinc/35/77/97/770357797.db2.gz ZMXMRCALBBWCLG-HUUCEWRRSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639840 773638136 /nfs/dbraw/zinc/63/81/36/773638136.db2.gz ZZXUIQLFLRCCFW-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001031742542 774206192 /nfs/dbraw/zinc/20/61/92/774206192.db2.gz JVWMBMXBBRBINZ-PXNSSMCTSA-N 2 0 339.483 2.202 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001108098523 783190322 /nfs/dbraw/zinc/19/03/22/783190322.db2.gz UTPDHKSMSBLYFZ-SFHVURJKSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089805934 775956246 /nfs/dbraw/zinc/95/62/46/775956246.db2.gz MFJINDDJYJEBFR-RDGPPVDQSA-N 2 0 343.515 2.053 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614485 790451582 /nfs/dbraw/zinc/45/15/82/790451582.db2.gz QYGFBUHPCXQWDN-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])N(C)C2CC2)CCOCC1)c1ccccc1 ZINC000181480332 776733031 /nfs/dbraw/zinc/73/30/31/776733031.db2.gz CXBQSAWBPFIGSP-OAHLLOKOSA-N 2 0 330.476 2.295 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089819379 776799413 /nfs/dbraw/zinc/79/94/13/776799413.db2.gz GOUBWXSPBGUXCC-MHORFTMASA-N 2 0 331.504 2.216 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541009 777624868 /nfs/dbraw/zinc/62/48/68/777624868.db2.gz IKGUBOUIABTHDA-RTBURBONSA-N 2 0 331.504 2.149 20 30 EEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071610 779056242 /nfs/dbraw/zinc/05/62/42/779056242.db2.gz MSEZNWZNQMAMTQ-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211723409 779774196 /nfs/dbraw/zinc/77/41/96/779774196.db2.gz VJRZWPJTGUBNTR-RBUKOAKNSA-N 2 0 327.472 2.243 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729636 780114509 /nfs/dbraw/zinc/11/45/09/780114509.db2.gz FSPJLUZAIFBCEX-RBUKOAKNSA-N 2 0 329.488 2.487 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203437242 781497372 /nfs/dbraw/zinc/49/73/72/781497372.db2.gz HZDQNLAUBOBRMR-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995210896 781883379 /nfs/dbraw/zinc/88/33/79/781883379.db2.gz MDXJHESVOUBODC-LPHOPBHVSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CCOc1cccc(Cl)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000809741824 783352108 /nfs/dbraw/zinc/35/21/08/783352108.db2.gz YBDWWVLEJILPCQ-UHFFFAOYSA-N 2 0 337.895 2.277 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001135314714 783597225 /nfs/dbraw/zinc/59/72/25/783597225.db2.gz GAGWPVKYJOYWKF-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820087 783910306 /nfs/dbraw/zinc/91/03/06/783910306.db2.gz WRGJHVPMYIUGFM-GOEBONIOSA-N 2 0 327.900 2.345 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675580 784209176 /nfs/dbraw/zinc/20/91/76/784209176.db2.gz ITBZRHJGYDOQKM-DLBZAZTESA-N 2 0 347.503 2.437 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980179 784906273 /nfs/dbraw/zinc/90/62/73/784906273.db2.gz MDTUYQXFSJTXPV-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980920 784907727 /nfs/dbraw/zinc/90/77/27/784907727.db2.gz UXGPNSBFDXHKSR-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720596 785015614 /nfs/dbraw/zinc/01/56/14/785015614.db2.gz LBKJKGCSAVFJKA-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035812682 785212948 /nfs/dbraw/zinc/21/29/48/785212948.db2.gz QSSBJUJFNWDDBV-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035836044 785257435 /nfs/dbraw/zinc/25/74/35/785257435.db2.gz TWIKVQGSSSFUOM-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299808 786234307 /nfs/dbraw/zinc/23/43/07/786234307.db2.gz DOFVMHKSOGAJJZ-RDTXWAMCSA-N 2 0 325.472 2.212 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)[NH+](C)C ZINC000996315361 786254553 /nfs/dbraw/zinc/25/45/53/786254553.db2.gz NSQWJBICTQLRGK-ZWKOTPCHSA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911745498 787682388 /nfs/dbraw/zinc/68/23/88/787682388.db2.gz PTIRVUPFNXSBNV-INIZCTEOSA-N 2 0 345.443 2.218 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997005206 788433353 /nfs/dbraw/zinc/43/33/53/788433353.db2.gz HQADTNRUUDXYOL-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001105733982 789305321 /nfs/dbraw/zinc/30/53/21/789305321.db2.gz ULZTUBBUAUHWEI-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2cc(CN(C)C)on2)CC1 ZINC000997188646 789387562 /nfs/dbraw/zinc/38/75/62/789387562.db2.gz SYZUAPIKPZJVIO-CQSZACIVSA-N 2 0 334.464 2.143 20 30 EEEDRP C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]1CCC[NH3+] ZINC000923388359 789484567 /nfs/dbraw/zinc/48/45/67/789484567.db2.gz IWDJOTGFKSLPRU-BPQIPLTHSA-N 2 0 331.460 2.137 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946901871 789565551 /nfs/dbraw/zinc/56/55/51/789565551.db2.gz GXVWQYCKVVEMKZ-MKXGPGLRSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610146 791373024 /nfs/dbraw/zinc/37/30/24/791373024.db2.gz HWPOWCISFURLDN-IRXDYDNUSA-N 2 0 333.520 2.395 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998312445 792548948 /nfs/dbraw/zinc/54/89/48/792548948.db2.gz JVHJHFNPMLVFRY-ZIAGYGMSSA-N 2 0 333.398 2.027 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939434 793027231 /nfs/dbraw/zinc/02/72/31/793027231.db2.gz QEGHMHOSDKDBDW-QGZVFWFLSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106112616 793287310 /nfs/dbraw/zinc/28/73/10/793287310.db2.gz OKWDNLFCZDKSTQ-BMFZPTHFSA-N 2 0 327.900 2.296 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992316031 793642008 /nfs/dbraw/zinc/64/20/08/793642008.db2.gz LSCCSBCTEABLPB-PZJWPPBQSA-N 2 0 339.483 2.498 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@H](C)C1 ZINC001092742632 794288170 /nfs/dbraw/zinc/28/81/70/794288170.db2.gz XYSZIBXQTFVXFY-BRWVUGGUSA-N 2 0 330.476 2.096 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092987531 794512600 /nfs/dbraw/zinc/51/26/00/794512600.db2.gz SJPGOQAAICHZFN-AFYVEPGGSA-N 2 0 341.499 2.202 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717579 794611513 /nfs/dbraw/zinc/61/15/13/794611513.db2.gz YBTKKWJKGUKPSB-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001093383806 795126901 /nfs/dbraw/zinc/12/69/01/795126901.db2.gz PDVJMABQSBIPPY-MOPGFXCFSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858722 795508164 /nfs/dbraw/zinc/50/81/64/795508164.db2.gz DBQVBSKZJHOZHJ-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588349 795907781 /nfs/dbraw/zinc/90/77/81/795907781.db2.gz QGDRTLLKEZFDJJ-IUODEOHRSA-N 2 0 339.867 2.391 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CCC3)C2)CC1 ZINC001036903150 796441793 /nfs/dbraw/zinc/44/17/93/796441793.db2.gz WPBWUCVCZLFSRB-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001171515421 796624769 /nfs/dbraw/zinc/62/47/69/796624769.db2.gz ISFLICJOSSKYJM-KRWDZBQOSA-N 2 0 339.524 2.186 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070472 797056906 /nfs/dbraw/zinc/05/69/06/797056906.db2.gz KPCHOHDTPRLDDN-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001094945433 797080043 /nfs/dbraw/zinc/08/00/43/797080043.db2.gz CIDPSHIALRQKOP-KSZLIROESA-N 2 0 331.504 2.408 20 30 EEEDRP C=CCOC1CCC([NH+]2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001173323501 797359844 /nfs/dbraw/zinc/35/98/44/797359844.db2.gz ZEGSLXFQHWAWFR-UHFFFAOYSA-N 2 0 335.536 2.460 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403102 798199092 /nfs/dbraw/zinc/19/90/92/798199092.db2.gz FULBMWUXIVCXQT-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089405945 798415354 /nfs/dbraw/zinc/41/53/54/798415354.db2.gz FLFOFSXTZPLFBF-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728655 798540289 /nfs/dbraw/zinc/54/02/89/798540289.db2.gz NJLUODPFHOFUEH-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001176926370 798630889 /nfs/dbraw/zinc/63/08/89/798630889.db2.gz KCNQNUHDVWWPSS-UHFFFAOYSA-N 2 0 345.462 2.097 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176986404 798675580 /nfs/dbraw/zinc/67/55/80/798675580.db2.gz NBYDTTDNUXGEKX-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997527 798686731 /nfs/dbraw/zinc/68/67/31/798686731.db2.gz PWRUVJXDBYVTPP-AWEZNQCLSA-N 2 0 346.313 2.111 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001177339500 798873345 /nfs/dbraw/zinc/87/33/45/798873345.db2.gz IQJRBYSGRKCKJF-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001177416238 798934107 /nfs/dbraw/zinc/93/41/07/798934107.db2.gz WZUMXGYMFPIFTJ-PKOBYXMFSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178536051 799512956 /nfs/dbraw/zinc/51/29/56/799512956.db2.gz OKFMDIQHZWRHQK-ROUUACIJSA-N 2 0 337.508 2.082 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179382906 799908926 /nfs/dbraw/zinc/90/89/26/799908926.db2.gz FFEXPDLNKVEVGP-ROUUACIJSA-N 2 0 339.524 2.186 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001085333369 800374309 /nfs/dbraw/zinc/37/43/09/800374309.db2.gz MWNYWMVFXGYFDP-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083235 801508493 /nfs/dbraw/zinc/50/84/93/801508493.db2.gz ZINYRSXJDCKIHM-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183516973 801622948 /nfs/dbraw/zinc/62/29/48/801622948.db2.gz INUCLHGVACZWTQ-WSTZPKSXSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592242 801681009 /nfs/dbraw/zinc/68/10/09/801681009.db2.gz DTGBNLGDUBVTRT-YRPNKDGESA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC001184693050 802129875 /nfs/dbraw/zinc/12/98/75/802129875.db2.gz NLJVYAGBHIXHRX-IRXDYDNUSA-N 2 0 330.476 2.168 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004525368 802295484 /nfs/dbraw/zinc/29/54/84/802295484.db2.gz GDVDKCWMSZRMLI-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185050385 802302807 /nfs/dbraw/zinc/30/28/07/802302807.db2.gz DWMAGHKIIUMBPF-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001185072715 802336583 /nfs/dbraw/zinc/33/65/83/802336583.db2.gz JOFZAOJTCHDZHH-GJZGRUSLSA-N 2 0 348.516 2.146 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253419 802615266 /nfs/dbraw/zinc/61/52/66/802615266.db2.gz GAQABJVSTLVGHZ-LVQVYYBASA-N 2 0 327.900 2.344 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CN[C@H](C(=O)OC)C2)cc1 ZINC001169136633 803629371 /nfs/dbraw/zinc/62/93/71/803629371.db2.gz MODSJOZMVITOEU-FGTMMUONSA-N 2 0 329.444 2.325 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(NCc2ncn3c2C[NH2+]CCC3)cc1C#N ZINC001169243744 803666956 /nfs/dbraw/zinc/66/69/56/803666956.db2.gz RCPXLIGSNJCREF-WSDLNYQXSA-N 2 0 337.431 2.082 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108688362 804355317 /nfs/dbraw/zinc/35/53/17/804355317.db2.gz ZLTCLDPSVKSJKO-BZSNNMDCSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473812 805513744 /nfs/dbraw/zinc/51/37/44/805513744.db2.gz GLHJLLIAIJUMMB-YDZRNGNQSA-N 2 0 349.519 2.031 20 30 EEEDRP N#Cc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170522296 812196276 /nfs/dbraw/zinc/19/62/76/812196276.db2.gz HEQLYMSPYLHXKS-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001448973117 1093977205 /nfs/dbraw/zinc/97/72/05/1093977205.db2.gz DTGPPWZLJYQAPM-UONOGXRCSA-N 2 0 346.313 2.206 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001448983530 1093987337 /nfs/dbraw/zinc/98/73/37/1093987337.db2.gz RSULWASLBBCYKZ-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670724 1095644122 /nfs/dbraw/zinc/64/41/22/1095644122.db2.gz FDKMGVMXHWOIDV-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CN1C(=O)CCC[NH+](C)C ZINC001441847766 1095930238 /nfs/dbraw/zinc/93/02/38/1095930238.db2.gz YPCXDITYLAZLMW-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001496370338 1100963597 /nfs/dbraw/zinc/96/35/97/1100963597.db2.gz UGQSBGLHTUAWHM-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001495574322 1101283477 /nfs/dbraw/zinc/28/34/77/1101283477.db2.gz XJBWZNRWCPJMDJ-RTBURBONSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001501077922 1113190705 /nfs/dbraw/zinc/19/07/05/1113190705.db2.gz ZUXRPEHIJAMIDW-ZBFHGGJFSA-N 2 0 327.900 2.297 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC001502018882 1113561247 /nfs/dbraw/zinc/56/12/47/1113561247.db2.gz CRPWXBKHZKJFRP-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000343572530 161147789 /nfs/dbraw/zinc/14/77/89/161147789.db2.gz XVBDPEAHGLJCSW-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000581944032 324347198 /nfs/dbraw/zinc/34/71/98/324347198.db2.gz NEQSDKNJTZJMPB-OAHLLOKOSA-N 2 0 326.448 2.059 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000358821713 465342472 /nfs/dbraw/zinc/34/24/72/465342472.db2.gz WVZJMQXANPGKBB-UHFFFAOYSA-N 2 0 346.475 2.399 20 30 EEEDRP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C#N ZINC000134992757 463104670 /nfs/dbraw/zinc/10/46/70/463104670.db2.gz MAUPDYOOVSJILC-UHFFFAOYSA-N 2 0 329.444 2.111 20 30 EEEDRP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000126704714 463657773 /nfs/dbraw/zinc/65/77/73/463657773.db2.gz UKLKNIHUHONONH-QHGAOEGBSA-N 2 0 326.488 2.083 20 30 EEEDRP COCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270547566 464260484 /nfs/dbraw/zinc/26/04/84/464260484.db2.gz FFAPPXDIYJQNPT-DOMZBBRYSA-N 2 0 342.846 2.023 20 30 EEEDRP CCCNC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000264068225 464280072 /nfs/dbraw/zinc/28/00/72/464280072.db2.gz CBEQGNALJGEPGP-UHFFFAOYSA-N 2 0 331.508 2.212 20 30 EEEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000264100369 464283273 /nfs/dbraw/zinc/28/32/73/464283273.db2.gz MSOLKUVMXURDRO-GOSISDBHSA-N 2 0 331.508 2.248 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCC2([NH+](C)C)CCCC2)cc1OC ZINC000264134448 464287391 /nfs/dbraw/zinc/28/73/91/464287391.db2.gz UUBZKSSRBRUCLA-UHFFFAOYSA-N 2 0 348.491 2.025 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000173600818 464292242 /nfs/dbraw/zinc/29/22/42/464292242.db2.gz TXSVWQXKJAGFMB-SFHVURJKSA-N 2 0 341.499 2.358 20 30 EEEDRP C=CC[C@@H](CC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281207953 464371247 /nfs/dbraw/zinc/37/12/47/464371247.db2.gz NPPMIRZBFKVMCV-QGZVFWFLSA-N 2 0 345.491 2.248 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000175742389 464614126 /nfs/dbraw/zinc/61/41/26/464614126.db2.gz CFXIJMJFNLXUCM-UHFFFAOYSA-N 2 0 348.466 2.207 20 30 EEEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203550 464737740 /nfs/dbraw/zinc/73/77/40/464737740.db2.gz LNIHODBJPBMHBR-ROUUACIJSA-N 2 0 327.476 2.266 20 30 EEEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)Nc1cccc2c1CCCC2 ZINC000267190258 464920546 /nfs/dbraw/zinc/92/05/46/464920546.db2.gz CDWGWQRCDZPUBH-UHFFFAOYSA-N 2 0 330.476 2.404 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000358777587 465317398 /nfs/dbraw/zinc/31/73/98/465317398.db2.gz AHZCJCVLUIJFRH-IRXDYDNUSA-N 2 0 336.524 2.304 20 30 EEEDRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000363509651 466448416 /nfs/dbraw/zinc/44/84/16/466448416.db2.gz HSOBYAJIOFVBPJ-IBGZPJMESA-N 2 0 342.487 2.167 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)C(C)C ZINC000417073431 466771002 /nfs/dbraw/zinc/77/10/02/466771002.db2.gz XVQOBEURIXSZLU-QZTJIDSGSA-N 2 0 336.524 2.326 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417533207 466877829 /nfs/dbraw/zinc/87/78/29/466877829.db2.gz FWDPXOXNEFQKDC-UHFFFAOYSA-N 2 0 330.476 2.197 20 30 EEEDRP C#CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377633566 467101771 /nfs/dbraw/zinc/10/17/71/467101771.db2.gz VIRXTGUDRYTXMD-HXUWFJFHSA-N 2 0 341.499 2.299 20 30 EEEDRP CCCC[C@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418445465 467112322 /nfs/dbraw/zinc/11/23/22/467112322.db2.gz NFAWAOCMBJWSGW-GOSISDBHSA-N 2 0 345.491 2.149 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000106335921 526589760 /nfs/dbraw/zinc/58/97/60/526589760.db2.gz GMIKRBJBYSVSGQ-QGZVFWFLSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000110871989 526928613 /nfs/dbraw/zinc/92/86/13/526928613.db2.gz LNPUZRQYXIBXBD-UHFFFAOYSA-N 2 0 341.499 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923135 526931737 /nfs/dbraw/zinc/93/17/37/526931737.db2.gz RWERIFDWZUNICJ-PXNSSMCTSA-N 2 0 339.483 2.111 20 30 EEEDRP C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000753936200 577796628 /nfs/dbraw/zinc/79/66/28/577796628.db2.gz RGRGLNPMDNLCGO-CALCHBBNSA-N 2 0 347.507 2.115 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001020679697 675397499 /nfs/dbraw/zinc/39/74/99/675397499.db2.gz YJAGMIINCNKDOR-SHTZXODSSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174000 675877046 /nfs/dbraw/zinc/87/70/46/675877046.db2.gz KMFMIIYVIQCVMK-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800729 676811460 /nfs/dbraw/zinc/81/14/60/676811460.db2.gz LYBQAWXIWVVXFE-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023130687 679137445 /nfs/dbraw/zinc/13/74/45/679137445.db2.gz ZRMKVFKZHLABOK-VBQJREDUSA-N 2 0 346.500 2.231 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023130955 679137610 /nfs/dbraw/zinc/13/76/10/679137610.db2.gz PAWZPJRFMDOMMW-CEXWTWQISA-N 2 0 340.471 2.169 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023481688 679334817 /nfs/dbraw/zinc/33/48/17/679334817.db2.gz LNCGATIPEGTUAG-INIZCTEOSA-N 2 0 339.443 2.285 20 30 EEEDRP C[NH+]=C(NC[C@H](OC)C(C)(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262019185 682869151 /nfs/dbraw/zinc/86/91/51/682869151.db2.gz YKWSHQNFHNKHFG-XHSDSOJGSA-N 2 0 335.496 2.403 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000992706554 683286247 /nfs/dbraw/zinc/28/62/47/683286247.db2.gz FLMKYDWOCQXESK-BZUAXINKSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(=C)C)[C@@H]3C2)CC1 ZINC000992923916 683655335 /nfs/dbraw/zinc/65/53/35/683655335.db2.gz JBRNDZWBGFDETH-XUVXKRRUSA-N 2 0 343.515 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(=C)C)[C@H]3C2)CC1 ZINC000992923914 683655400 /nfs/dbraw/zinc/65/54/00/683655400.db2.gz JBRNDZWBGFDETH-UFYCRDLUSA-N 2 0 343.515 2.124 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(C)ccc12 ZINC000303984769 686964793 /nfs/dbraw/zinc/96/47/93/686964793.db2.gz SKEMGRRCJXOETP-INIZCTEOSA-N 2 0 327.476 2.407 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001009630596 688071530 /nfs/dbraw/zinc/07/15/30/688071530.db2.gz XMIBQJBZBXGFPF-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@H]2C)CC1 ZINC000987578931 689853097 /nfs/dbraw/zinc/85/30/97/689853097.db2.gz YYNLJJDZASPSIV-XLIONFOSSA-N 2 0 343.515 2.411 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763640 693627296 /nfs/dbraw/zinc/62/72/96/693627296.db2.gz OLGTUXVRCIQABO-PNBKFKSVSA-N 2 0 325.884 2.192 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001480920743 1178356105 /nfs/dbraw/zinc/35/61/05/1178356105.db2.gz XDZVBOHKJPTIEH-IBGZPJMESA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001105446402 1187198473 /nfs/dbraw/zinc/19/84/73/1187198473.db2.gz KJQKOUQKJLXKDM-QFUCXCTJSA-N 2 0 341.499 2.320 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001088631016 1188019415 /nfs/dbraw/zinc/01/94/15/1188019415.db2.gz NKGVDUYRKYGRFV-MNEFBYGVSA-N 2 0 343.446 2.002 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001105485541 1188102283 /nfs/dbraw/zinc/10/22/83/1188102283.db2.gz METIAYWUSVTPDF-PGYGNJIDSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576479 1188190711 /nfs/dbraw/zinc/19/07/11/1188190711.db2.gz FHRVPTDMLBKJEK-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076397274 1188891298 /nfs/dbraw/zinc/89/12/98/1188891298.db2.gz DNTPZMUJTIPUQD-JKSUJKDBSA-N 2 0 325.884 2.004 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001034611102 1196433012 /nfs/dbraw/zinc/43/30/12/1196433012.db2.gz HBSAAYMIAQLRGU-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000876723908 1199741169 /nfs/dbraw/zinc/74/11/69/1199741169.db2.gz ZTJMDLQOWGWOTH-DLBZAZTESA-N 2 0 335.879 2.409 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342418 1200767956 /nfs/dbraw/zinc/76/79/56/1200767956.db2.gz PDUHTXLEFFOVCS-FUHWJXTLSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3ccnc3C1)C2 ZINC001095646399 1205901725 /nfs/dbraw/zinc/90/17/25/1205901725.db2.gz ZYEQBAHLQFUGJL-NCOADZHNSA-N 2 0 328.460 2.133 20 30 EEEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281317 1209357956 /nfs/dbraw/zinc/35/79/56/1209357956.db2.gz MWJKPFYHNIOGPX-KURKYZTESA-N 2 0 339.524 2.257 20 30 EEEDRP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC000949382838 1209658770 /nfs/dbraw/zinc/65/87/70/1209658770.db2.gz IUOXRQLAEDGGDB-UHFFFAOYSA-N 2 0 346.475 2.002 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813498 1210419502 /nfs/dbraw/zinc/41/95/02/1210419502.db2.gz RYAQMASEWGBPIY-HOJAQTOUSA-N 2 0 339.483 2.149 20 30 EEEDRP CCc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000303783202 1213905178 /nfs/dbraw/zinc/90/51/78/1213905178.db2.gz NZVBFRJUKKQODD-MOPGFXCFSA-N 3 0 345.535 2.240 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000303908673 1213923809 /nfs/dbraw/zinc/92/38/09/1213923809.db2.gz XTAQVKAAUKKRJC-KRWDZBQOSA-N 2 0 347.482 2.137 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114739970 1215159314 /nfs/dbraw/zinc/15/93/14/1215159314.db2.gz YJGBQXMXDNEVOY-QMCVQRASSA-N 2 0 331.460 2.356 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957555663 1215205995 /nfs/dbraw/zinc/20/59/95/1215205995.db2.gz IQKVJXQTMGFVMW-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000304751619 1216102070 /nfs/dbraw/zinc/10/20/70/1216102070.db2.gz JLKOFFISSHVYHF-UHFFFAOYSA-N 2 0 349.910 2.333 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000304751998 1216102654 /nfs/dbraw/zinc/10/26/54/1216102654.db2.gz JUKOHUVOVOMFQU-OALUTQOASA-N 3 0 343.519 2.040 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960045011 1216320299 /nfs/dbraw/zinc/32/02/99/1216320299.db2.gz WNQGEQYVFQCLRD-RBUKOAKNSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000960305253 1216483396 /nfs/dbraw/zinc/48/33/96/1216483396.db2.gz WTQKWSLKBVISOK-QKYXUNIQSA-N 2 0 327.472 2.276 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260101 1217115620 /nfs/dbraw/zinc/11/56/20/1217115620.db2.gz KAYWKCLSKIGQCO-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428217 1217622462 /nfs/dbraw/zinc/62/24/62/1217622462.db2.gz KEMFMBBTNNTYOO-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000968997979 1221728534 /nfs/dbraw/zinc/72/85/34/1221728534.db2.gz HQTSLZYAJGHGCK-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016625291 1226699248 /nfs/dbraw/zinc/69/92/48/1226699248.db2.gz GKTIWTFMZBSHPT-HZPDHXFCSA-N 2 0 337.895 2.051 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016690379 1226783065 /nfs/dbraw/zinc/78/30/65/1226783065.db2.gz KCAXDAFEINMELY-GJZGRUSLSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016907682 1226961694 /nfs/dbraw/zinc/96/16/94/1226961694.db2.gz UPWPURNBUKYXEN-SFHVURJKSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016923033 1226973289 /nfs/dbraw/zinc/97/32/89/1226973289.db2.gz HILGILVHOVEVBF-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145850 1229509669 /nfs/dbraw/zinc/50/96/69/1229509669.db2.gz RHNUQYYNXFBRMF-MGPQQGTHSA-N 2 0 344.297 2.005 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001020251413 1229584039 /nfs/dbraw/zinc/58/40/39/1229584039.db2.gz LQGSWDVPXALJKM-QZHFEQFPSA-N 2 0 343.446 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)CC1 ZINC001039041249 1230257598 /nfs/dbraw/zinc/25/75/98/1230257598.db2.gz AWOXGLKSHMCETD-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236944 1230469818 /nfs/dbraw/zinc/46/98/18/1230469818.db2.gz DSYCAAZUEUPNIR-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542365 1231283877 /nfs/dbraw/zinc/28/38/77/1231283877.db2.gz HHJLWDGNOYDTFU-HXUWFJFHSA-N 2 0 331.504 2.200 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822830 1231380051 /nfs/dbraw/zinc/38/00/51/1231380051.db2.gz OKQGUHCBVBOLJB-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC1 ZINC001040925773 1231405409 /nfs/dbraw/zinc/40/54/09/1231405409.db2.gz XIZJHMSRXUQVSA-FQEVSTJZSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042304450 1232017241 /nfs/dbraw/zinc/01/72/41/1232017241.db2.gz NXPGUOWEOJQEKA-MJGOQNOKSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015755 1233588118 /nfs/dbraw/zinc/58/81/18/1233588118.db2.gz RFZKSJAFBHRNLH-PASDCYSWSA-N 2 0 337.483 2.497 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950757 1234217010 /nfs/dbraw/zinc/21/70/10/1234217010.db2.gz KSNHBMXRHLIBRL-FQEVSTJZSA-N 2 0 343.515 2.343 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001054929080 1249400212 /nfs/dbraw/zinc/40/02/12/1249400212.db2.gz DLRMCVCRVMCULE-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047242504 1235730680 /nfs/dbraw/zinc/73/06/80/1235730680.db2.gz SXSSAHZSFSMDDW-MISYRCLQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047244058 1235735254 /nfs/dbraw/zinc/73/52/54/1235735254.db2.gz PGKAWKDYJINBJD-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001048511800 1237809346 /nfs/dbraw/zinc/80/93/46/1237809346.db2.gz IIMQHLOYKVFCAW-FZKCQIBNSA-N 2 0 325.884 2.192 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048563040 1237972340 /nfs/dbraw/zinc/97/23/40/1237972340.db2.gz TXBOXQGUVDGXKB-RKOFLFEYSA-N 2 0 339.911 2.296 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000149403 1239999434 /nfs/dbraw/zinc/99/94/34/1239999434.db2.gz LNRMTANEGABXIP-GOSISDBHSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820685 1242306924 /nfs/dbraw/zinc/30/69/24/1242306924.db2.gz MEIDMFQQDHBZAQ-RBUKOAKNSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCC(=C)C)CC2)CC1 ZINC001001468391 1242331941 /nfs/dbraw/zinc/33/19/41/1242331941.db2.gz RENYLKRDAFZTBG-UHFFFAOYSA-N 2 0 329.488 2.046 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048609 1242720243 /nfs/dbraw/zinc/72/02/43/1242720243.db2.gz GIBLFEDCWKRYOV-CMKODMSKSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050662673 1244071679 /nfs/dbraw/zinc/07/16/79/1244071679.db2.gz LYMQKFDEVKIWKB-CQSZACIVSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764908 1244317432 /nfs/dbraw/zinc/31/74/32/1244317432.db2.gz JDQLGSCBSYBXAS-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581185 1244382191 /nfs/dbraw/zinc/38/21/91/1244382191.db2.gz RYAQMASEWGBPIY-RLLQIKCJSA-N 2 0 339.483 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC[C@H](C)F)CC2)CC1 ZINC001052958382 1245556986 /nfs/dbraw/zinc/55/69/86/1245556986.db2.gz MPNKSAJDCAKPFZ-WMZOPIPTSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028336 1245710053 /nfs/dbraw/zinc/71/00/53/1245710053.db2.gz LDXQDKUXYBZGKW-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105331 1245921171 /nfs/dbraw/zinc/92/11/71/1245921171.db2.gz NDQJVANSMNXHCW-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)O2 ZINC001053682414 1246639710 /nfs/dbraw/zinc/63/97/10/1246639710.db2.gz GMWYUOCGSUMAOS-SFHVURJKSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164678 1247580965 /nfs/dbraw/zinc/58/09/65/1247580965.db2.gz PDJPUBZJHKTVDA-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054228743 1247784091 /nfs/dbraw/zinc/78/40/91/1247784091.db2.gz YRQGGTBDESFBQQ-WMZOPIPTSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245600 1247862524 /nfs/dbraw/zinc/86/25/24/1247862524.db2.gz WNECTLUGHDKEDB-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=C)C)C3)C2)CC1 ZINC001054245308 1247863648 /nfs/dbraw/zinc/86/36/48/1247863648.db2.gz REUWRUIVCWWPFO-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828789 1254691508 /nfs/dbraw/zinc/69/15/08/1254691508.db2.gz UHZXBSWSFYFINO-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099551793 1258200072 /nfs/dbraw/zinc/20/00/72/1258200072.db2.gz DEPOBXAGELOONT-HZMVEIRTSA-N 2 0 339.911 2.250 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001185609771 1278716646 /nfs/dbraw/zinc/71/66/46/1278716646.db2.gz OOYKPYBDWYDXRX-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424266 1282500953 /nfs/dbraw/zinc/50/09/53/1282500953.db2.gz KJESMQUPAJDWPD-RBUKOAKNSA-N 2 0 327.472 2.235 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC001196970373 1284362268 /nfs/dbraw/zinc/36/22/68/1284362268.db2.gz ANOJSAIWZROSIT-UHFFFAOYSA-N 2 0 346.450 2.073 20 30 EEEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001216463306 1297180447 /nfs/dbraw/zinc/18/04/47/1297180447.db2.gz CRPDNFOJHZQNGB-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001490420683 1291330990 /nfs/dbraw/zinc/33/09/90/1291330990.db2.gz CPSIZEYUTSYCIU-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850445 1296619815 /nfs/dbraw/zinc/61/98/15/1296619815.db2.gz WRTWPOBDCMJKEY-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558109 1297711498 /nfs/dbraw/zinc/71/14/98/1297711498.db2.gz UMYNMRGSVQWINV-ZWKOTPCHSA-N 2 0 339.524 2.210 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C)[NH+](C)C ZINC001074710980 1298268652 /nfs/dbraw/zinc/26/86/52/1298268652.db2.gz LMEQCPMFMLIKBB-DOPJRALCSA-N 2 0 346.450 2.117 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099346714 1299064399 /nfs/dbraw/zinc/06/43/99/1299064399.db2.gz INHIOUJDAYYCKY-RBSFLKMASA-N 2 0 347.425 2.272 20 30 EEEDRP N#Cc1ccc(CN2CCC(NC(=O)CCc3ncc[nH]3)CC2)s1 ZINC001227100156 1301688203 /nfs/dbraw/zinc/68/82/03/1301688203.db2.gz SHDSRLTYOZAEBD-UHFFFAOYSA-N 2 0 343.456 2.056 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994127 1302040739 /nfs/dbraw/zinc/04/07/39/1302040739.db2.gz RNYAHFQYFJPFNZ-KBRIMQKVSA-N 2 0 339.911 2.155 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001228096694 1302101097 /nfs/dbraw/zinc/10/10/97/1302101097.db2.gz QLTMFVFTAPMJFM-UHFFFAOYSA-N 2 0 330.476 2.455 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086405 1302193474 /nfs/dbraw/zinc/19/34/74/1302193474.db2.gz AMKHPKCLQPXHMZ-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001228366360 1302226597 /nfs/dbraw/zinc/22/65/97/1302226597.db2.gz QBVAVLSHFCVGCO-HZPDHXFCSA-N 2 0 334.489 2.088 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001229291439 1302713141 /nfs/dbraw/zinc/71/31/41/1302713141.db2.gz DHPLJLZGDSGJJI-LJQANCHMSA-N 2 0 348.535 2.238 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229503841 1302821244 /nfs/dbraw/zinc/82/12/44/1302821244.db2.gz MRCDQIUYPKNQAP-WOJBJXKFSA-N 2 0 341.499 2.397 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495867 1303036022 /nfs/dbraw/zinc/03/60/22/1303036022.db2.gz WPCUXAJSIHPRAK-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103631268 1303175370 /nfs/dbraw/zinc/17/53/70/1303175370.db2.gz FUHIMPAAPGEPEC-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755849 1303300464 /nfs/dbraw/zinc/30/04/64/1303300464.db2.gz QGBBKODXKXJZKK-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619199 1303327566 /nfs/dbraw/zinc/32/75/66/1303327566.db2.gz VZPUMPGCLKKKDB-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1 ZINC001230777622 1303448382 /nfs/dbraw/zinc/44/83/82/1303448382.db2.gz ALDLWIIRNAXPMZ-UHFFFAOYSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001111554444 1303683759 /nfs/dbraw/zinc/68/37/59/1303683759.db2.gz SOXBXRFBQYRIPY-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2ccc(OCC)nc2)CC1 ZINC001231659423 1303884692 /nfs/dbraw/zinc/88/46/92/1303884692.db2.gz VERUYQZUMMCSCC-UHFFFAOYSA-N 2 0 344.503 2.272 20 30 EEEDRP CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC001277633789 1304047520 /nfs/dbraw/zinc/04/75/20/1304047520.db2.gz UXRQWGLUSFCKAE-MAUKXSAKSA-N 2 0 332.879 2.279 20 30 EEEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177521 1305177057 /nfs/dbraw/zinc/17/70/57/1305177057.db2.gz TWLOSVNGQPIENA-FUHWJXTLSA-N 2 0 334.508 2.237 20 30 EEEDRP CCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238879473 1308970961 /nfs/dbraw/zinc/97/09/61/1308970961.db2.gz SCCIIGNPGLFWGW-UHFFFAOYSA-N 2 0 335.558 2.375 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016576 1309283941 /nfs/dbraw/zinc/28/39/41/1309283941.db2.gz UDXUUAXMLYQTOH-UHFFFAOYSA-N 2 0 325.884 2.243 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246340490 1310283104 /nfs/dbraw/zinc/28/31/04/1310283104.db2.gz FRKQZFSWUWSUSE-IRXDYDNUSA-N 2 0 332.879 2.195 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001160867043 1320296115 /nfs/dbraw/zinc/29/61/15/1320296115.db2.gz DXXZQTZKLSKLSY-PBHICJAKSA-N 2 0 346.500 2.233 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202990697 1314794269 /nfs/dbraw/zinc/79/42/69/1314794269.db2.gz AKAOITBGYLRHLJ-SFHVURJKSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150047295 1316137178 /nfs/dbraw/zinc/13/71/78/1316137178.db2.gz JELDJLQKCISFJA-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001150185375 1316195584 /nfs/dbraw/zinc/19/55/84/1316195584.db2.gz DIYAPFRTQGCREL-QGZVFWFLSA-N 2 0 349.475 2.128 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158289638 1319146399 /nfs/dbraw/zinc/14/63/99/1319146399.db2.gz JDLIZJDBIJQNAF-GOSISDBHSA-N 2 0 333.520 2.445 20 30 EEEDRP N#Cc1nccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001159460656 1319818309 /nfs/dbraw/zinc/81/83/09/1319818309.db2.gz WUTGAWKIMDOKBP-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001159915246 1320020614 /nfs/dbraw/zinc/02/06/14/1320020614.db2.gz IFHYBCUMLBOGSD-GOSISDBHSA-N 2 0 347.890 2.128 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285183 1320123106 /nfs/dbraw/zinc/12/31/06/1320123106.db2.gz DFYSWPBLJZMQKI-LJQANCHMSA-N 2 0 349.519 2.202 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160805032 1320275078 /nfs/dbraw/zinc/27/50/78/1320275078.db2.gz ZSSFXYTWCLJWLD-UHFFFAOYSA-N 2 0 331.504 2.413 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390803 1320485011 /nfs/dbraw/zinc/48/50/11/1320485011.db2.gz KBXLKYUFSABULQ-UHFFFAOYSA-N 2 0 349.519 2.059 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161445434 1320504153 /nfs/dbraw/zinc/50/41/53/1320504153.db2.gz RTZYVDGZPSTITG-RBUKOAKNSA-N 2 0 329.488 2.165 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001162848394 1320973049 /nfs/dbraw/zinc/97/30/49/1320973049.db2.gz HMSBGKCHILHSDL-UHFFFAOYSA-N 2 0 343.515 2.401 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCCC[NH2+]Cc2ccccc2C#N)CCCC1 ZINC001163290490 1321089008 /nfs/dbraw/zinc/08/90/08/1321089008.db2.gz JTRAODMWPLCKHH-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001163834205 1321229290 /nfs/dbraw/zinc/22/92/90/1321229290.db2.gz VUXQJVZGLGIQBC-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001164574563 1321422855 /nfs/dbraw/zinc/42/28/55/1321422855.db2.gz QOJYDHHLEOSWRD-HOCLYGCPSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001165465025 1321530424 /nfs/dbraw/zinc/53/04/24/1321530424.db2.gz QNISMFGGNSPOAZ-SFHVURJKSA-N 2 0 349.519 2.082 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001166432377 1321718429 /nfs/dbraw/zinc/71/84/29/1321718429.db2.gz AQVDPSLQPOQJRU-INIZCTEOSA-N 2 0 336.505 2.336 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F)CC(C)(C)C ZINC001166744030 1321779259 /nfs/dbraw/zinc/77/92/59/1321779259.db2.gz DIJSRGBEUCRGRD-UHFFFAOYSA-N 2 0 348.466 2.271 20 30 EEEDRP C=CCC[NH2+]CC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001205583092 1323205684 /nfs/dbraw/zinc/20/56/84/1323205684.db2.gz ZNHVKQDKADZIKO-UHFFFAOYSA-N 2 0 330.476 2.312 20 30 EEEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873629 1323653024 /nfs/dbraw/zinc/65/30/24/1323653024.db2.gz GEIBHSYOLUZKHZ-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001208454711 1324506792 /nfs/dbraw/zinc/50/67/92/1324506792.db2.gz ZXJOHIZEDKEOOM-GOSISDBHSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCOC(=O)N1CCC2(C[NH+](CC3CC[NH+](CC)CC3)C2)CC1 ZINC001208593826 1324578334 /nfs/dbraw/zinc/57/83/34/1324578334.db2.gz JJGHYOAYUOFILQ-UHFFFAOYSA-N 2 0 335.492 2.439 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCCO1 ZINC001200509949 1338377568 /nfs/dbraw/zinc/37/75/68/1338377568.db2.gz JGJDMDAHECZTEW-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[C@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC001574525557 1343680009 /nfs/dbraw/zinc/68/00/09/1343680009.db2.gz MTCXVDHOKOJPCQ-HXUWFJFHSA-N 2 0 338.455 2.287 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001389350463 1388065846 /nfs/dbraw/zinc/06/58/46/1388065846.db2.gz PLKGIIGJVQQYEN-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000838505937 1372851800 /nfs/dbraw/zinc/85/18/00/1372851800.db2.gz ISJCSRHEUNMIOO-UHFFFAOYSA-N 2 0 334.508 2.038 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001366221947 1373844525 /nfs/dbraw/zinc/84/45/25/1373844525.db2.gz UROMJTFYHQJIPD-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400054 1374532106 /nfs/dbraw/zinc/53/21/06/1374532106.db2.gz KMCRYVNQIJCLGM-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001373844110 1376561205 /nfs/dbraw/zinc/56/12/05/1376561205.db2.gz UWKKAFKQVKYPEB-INIZCTEOSA-N 2 0 346.500 2.233 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001376260824 1378403325 /nfs/dbraw/zinc/40/33/25/1378403325.db2.gz XJJTZAAOOZCQFL-RBUKOAKNSA-N 2 0 342.487 2.129 20 30 EEEDRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001380962765 1381468162 /nfs/dbraw/zinc/46/81/62/1381468162.db2.gz GFOKEVIJHAKLPR-SFHVURJKSA-N 2 0 348.466 2.318 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001392344673 1389997658 /nfs/dbraw/zinc/99/76/58/1389997658.db2.gz NUBCPPMOAPBWNC-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001393420570 1390434832 /nfs/dbraw/zinc/43/48/32/1390434832.db2.gz YKXSTTCGCWPMRG-IYBDPMFKSA-N 2 0 325.884 2.005 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122961 1390622696 /nfs/dbraw/zinc/62/26/96/1390622696.db2.gz GOZNPFRTOYLJLF-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397694451 1391430908 /nfs/dbraw/zinc/43/09/08/1391430908.db2.gz WJTSOZQDZVNIMH-JCNLHEQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001402563487 1398059441 /nfs/dbraw/zinc/05/94/41/1398059441.db2.gz VGAXKKHKXUUCNM-INIZCTEOSA-N 2 0 346.500 2.233 20 30 EEEDRP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001754638580 1406936980 /nfs/dbraw/zinc/93/69/80/1406936980.db2.gz CYNDDZMRVOOALU-IEBWSBKVSA-N 2 0 331.504 2.340 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001423022060 1400361207 /nfs/dbraw/zinc/36/12/07/1400361207.db2.gz PDPPVCKMMYVNEB-ROUUACIJSA-N 2 0 346.450 2.022 20 30 EEEDRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001423071973 1400398981 /nfs/dbraw/zinc/39/89/81/1400398981.db2.gz BAENBOBTHHXZLB-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC001574518486 1403521930 /nfs/dbraw/zinc/52/19/30/1403521930.db2.gz YDMNXONRBUYFOK-AZUAARDMSA-N 2 0 331.504 2.247 20 30 EEEDRP Cc1c(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2C#N)ccc2c[nH+]cn21 ZINC001732961194 1405972905 /nfs/dbraw/zinc/97/29/05/1405972905.db2.gz IMTSXFAQTSJNPB-CQSZACIVSA-N 2 0 347.422 2.423 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755516991 1407571461 /nfs/dbraw/zinc/57/14/61/1407571461.db2.gz RAPIURWZJKIMON-DLBZAZTESA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440062 761374626 /nfs/dbraw/zinc/37/46/26/761374626.db2.gz KCZZTQZLXLIQOD-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001105063997 768979602 /nfs/dbraw/zinc/97/96/02/768979602.db2.gz QHINUZJDJZOOGX-QZTJIDSGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488898 769769331 /nfs/dbraw/zinc/76/93/31/769769331.db2.gz ZULNAEOIADGCSM-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089510718 770026443 /nfs/dbraw/zinc/02/64/43/770026443.db2.gz DPKYMEMHROBIPC-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564546 770408276 /nfs/dbraw/zinc/40/82/76/770408276.db2.gz BQPBBKNTETVETB-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639843 773638373 /nfs/dbraw/zinc/63/83/73/773638373.db2.gz ZZXUIQLFLRCCFW-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981814249 778241301 /nfs/dbraw/zinc/24/13/01/778241301.db2.gz ZNQOSCNPILEKQP-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000261691281 780368804 /nfs/dbraw/zinc/36/88/04/780368804.db2.gz ILBIOOKQJSFDIU-RCCFBDPRSA-N 2 0 346.519 2.126 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+](C)C ZINC001135315525 783599058 /nfs/dbraw/zinc/59/90/58/783599058.db2.gz PIGLXTOMCWDGLL-ZIAGYGMSSA-N 2 0 336.505 2.334 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001035052905 783660200 /nfs/dbraw/zinc/66/02/00/783660200.db2.gz YJGOMUWVSJFTIY-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001135391361 783687352 /nfs/dbraw/zinc/68/73/52/783687352.db2.gz RWVHGMJPRCPIDL-HZPDHXFCSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001135390176 783710511 /nfs/dbraw/zinc/71/05/11/783710511.db2.gz HWEVUHQSJURICO-JKSUJKDBSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217755 784145064 /nfs/dbraw/zinc/14/50/64/784145064.db2.gz YXFWLLRVZOLJSK-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245344 784178824 /nfs/dbraw/zinc/17/88/24/784178824.db2.gz ODXPLQZFCSQXNH-UHFFFAOYSA-N 2 0 328.460 2.262 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035247268 784184447 /nfs/dbraw/zinc/18/44/47/784184447.db2.gz VLAGQYOHKZLPFY-MRXNPFEDSA-N 2 0 339.911 2.395 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857007 784638430 /nfs/dbraw/zinc/63/84/30/784638430.db2.gz AZSXDIXPXHLTJD-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858203 784640649 /nfs/dbraw/zinc/64/06/49/784640649.db2.gz UZJOHPGAEVTSPV-KBPBESRZSA-N 2 0 336.505 2.334 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CC#Cc1ccccc1 ZINC001135937858 784829135 /nfs/dbraw/zinc/82/91/35/784829135.db2.gz AXLCPLWJFSZXCW-MSOLQXFVSA-N 2 0 339.483 2.007 20 30 EEEDRP N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899404 785239598 /nfs/dbraw/zinc/23/95/98/785239598.db2.gz JVCAQGVHDYFLLQ-GFCCVEGCSA-N 2 0 334.767 2.104 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001036103790 785841244 /nfs/dbraw/zinc/84/12/44/785841244.db2.gz SALURKWXNQFLEK-RDJZCZTQSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635369 787951974 /nfs/dbraw/zinc/95/19/74/787951974.db2.gz MSZKOOJQUDZIBZ-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001127066875 788316923 /nfs/dbraw/zinc/31/69/23/788316923.db2.gz UHJOFXJMMGTQGS-SFHVURJKSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000825275701 788564660 /nfs/dbraw/zinc/56/46/60/788564660.db2.gz YSWFIYFQSOFKTI-UHFFFAOYSA-N 2 0 330.476 2.073 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)CN2CCCC[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000923282858 789295865 /nfs/dbraw/zinc/29/58/65/789295865.db2.gz UVJGOYWGXZNNAA-KBAYOESNSA-N 2 0 348.487 2.365 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000997185222 789378195 /nfs/dbraw/zinc/37/81/95/789378195.db2.gz ZLJIJNFCYRJFRU-PBHICJAKSA-N 2 0 342.487 2.063 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902106 789569557 /nfs/dbraw/zinc/56/95/57/789569557.db2.gz JWRKFJQGKSONNN-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C(F)(F)F ZINC000998284541 792463705 /nfs/dbraw/zinc/46/37/05/792463705.db2.gz YRIOIKQYYCMWRK-UONOGXRCSA-N 2 0 345.409 2.170 20 30 EEEDRP C[NH+]=C(NC[C@H](C1CCCCC1)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000262015099 794935920 /nfs/dbraw/zinc/93/59/20/794935920.db2.gz XNJQKHPEOVUVGI-IEBWSBKVSA-N 2 0 336.524 2.185 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001108010044 795501721 /nfs/dbraw/zinc/50/17/21/795501721.db2.gz LOONKSFJBHHXOO-MJGOQNOKSA-N 2 0 348.491 2.254 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866943 795609334 /nfs/dbraw/zinc/60/93/34/795609334.db2.gz MWQFORTZTQSRBB-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902984 796441279 /nfs/dbraw/zinc/44/12/79/796441279.db2.gz SXITUAZYRWGDMU-IEBWSBKVSA-N 2 0 327.472 2.471 20 30 EEEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001106779318 796522898 /nfs/dbraw/zinc/52/28/98/796522898.db2.gz IRNCGTRPCOJLHP-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054059893 796994234 /nfs/dbraw/zinc/99/42/34/796994234.db2.gz AFFFTBSIETZTNL-RBUKOAKNSA-N 2 0 327.472 2.057 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078818947 797024152 /nfs/dbraw/zinc/02/41/52/797024152.db2.gz GASGWCNXZOGTTA-ROUUACIJSA-N 2 0 325.456 2.012 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078818992 797024274 /nfs/dbraw/zinc/02/42/74/797024274.db2.gz HCGGSZYROPJIKB-ZWKOTPCHSA-N 2 0 325.456 2.012 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175939692 798278142 /nfs/dbraw/zinc/27/81/42/798278142.db2.gz QLPCGCOUUAVNBU-OAHLLOKOSA-N 2 0 345.915 2.114 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176986522 798675329 /nfs/dbraw/zinc/67/53/29/798675329.db2.gz QGZUQWIHYMWANJ-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001085149267 798723830 /nfs/dbraw/zinc/72/38/30/798723830.db2.gz KJAGJXCJSFDRDZ-MGPQQGTHSA-N 2 0 344.297 2.006 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177466744 798951818 /nfs/dbraw/zinc/95/18/18/798951818.db2.gz DSHBMYDEYSPZRD-LJQANCHMSA-N 2 0 333.520 2.350 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001003007518 799026304 /nfs/dbraw/zinc/02/63/04/799026304.db2.gz IWGPFVMIGNHAEH-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968703 800217651 /nfs/dbraw/zinc/21/76/51/800217651.db2.gz ZTXPVOZOULJFNI-YOEHRIQHSA-N 2 0 348.516 2.431 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085269902 800307780 /nfs/dbraw/zinc/30/77/80/800307780.db2.gz ZWUVUMLLSJSTHG-HZPDHXFCSA-N 2 0 325.416 2.084 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001085332357 800371515 /nfs/dbraw/zinc/37/15/15/800371515.db2.gz UKHYZOBXLHSCAB-RKVPGOIHSA-N 2 0 325.472 2.402 20 30 EEEDRP C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001180581207 800467296 /nfs/dbraw/zinc/46/72/96/800467296.db2.gz BTNSIDIXGQIPSQ-QGZVFWFLSA-N 2 0 340.471 2.145 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181729175 800882186 /nfs/dbraw/zinc/88/21/86/800882186.db2.gz XDRYICMDORCVNO-YFVAEKQCSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346804 801129740 /nfs/dbraw/zinc/12/97/40/801129740.db2.gz XXILQFNUKNKCPP-WSTZPKSXSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183516954 801622796 /nfs/dbraw/zinc/62/27/96/801622796.db2.gz HKJREPBPYMJDSG-WSTZPKSXSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185050381 802303022 /nfs/dbraw/zinc/30/30/22/802303022.db2.gz DWMAGHKIIUMBPF-CVEARBPZSA-N 2 0 331.460 2.052 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nccn3C)CC[C@@H]2C1 ZINC000946694090 802838399 /nfs/dbraw/zinc/83/83/99/802838399.db2.gz LMLKCJQKCNQQSG-CALCHBBNSA-N 2 0 330.476 2.099 20 30 EEEDRP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108324466 803316060 /nfs/dbraw/zinc/31/60/60/803316060.db2.gz XAGJHMCJTSKCRJ-IBGZPJMESA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001131519043 812923771 /nfs/dbraw/zinc/92/37/71/812923771.db2.gz BYRRXAJNIAZENR-QYZOEREBSA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001444714203 1099575496 /nfs/dbraw/zinc/57/54/96/1099575496.db2.gz CCWFIYYUMDVZQU-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001496513049 1101112067 /nfs/dbraw/zinc/11/20/67/1101112067.db2.gz VMAZZICLOYTXSK-INIZCTEOSA-N 2 0 327.900 2.251 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001447635305 1103007410 /nfs/dbraw/zinc/00/74/10/1103007410.db2.gz MZRUXEPLZGEJPA-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001480790183 1107122390 /nfs/dbraw/zinc/12/23/90/1107122390.db2.gz NJTOXVMZQVGPKX-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP N#Cc1cccc(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001499461794 1112297880 /nfs/dbraw/zinc/29/78/80/1112297880.db2.gz PVHRALCMRFGBLA-UHFFFAOYSA-N 2 0 340.471 2.173 20 30 EEEDRP C=CCn1c(CN2CCCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001520325881 1119146300 /nfs/dbraw/zinc/14/63/00/1119146300.db2.gz PMGWNXCKFDKEHS-UHFFFAOYSA-N 2 0 346.523 2.371 20 30 EEEDRP C=CC[N@@H+](CCc1cncn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000459339427 245084630 /nfs/dbraw/zinc/08/46/30/245084630.db2.gz DAJLWOYFWGGUQC-OAHLLOKOSA-N 2 0 337.431 2.188 20 30 EEEDRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000565586125 319195391 /nfs/dbraw/zinc/19/53/91/319195391.db2.gz SLPONBJACWTSHM-KRWDZBQOSA-N 2 0 342.487 2.005 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000068427393 463134761 /nfs/dbraw/zinc/13/47/61/463134761.db2.gz AILOWABZSQZCQQ-UHFFFAOYSA-N 2 0 326.444 2.000 20 30 EEEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125286034 463525682 /nfs/dbraw/zinc/52/56/82/463525682.db2.gz LWLSIMKMAOCQHJ-UHFFFAOYSA-N 2 0 335.411 2.104 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166471164 463655525 /nfs/dbraw/zinc/65/55/25/463655525.db2.gz MUZUICVKQZYMIJ-ZWKOTPCHSA-N 2 0 325.460 2.138 20 30 EEEDRP CCOCCCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000178575991 463923364 /nfs/dbraw/zinc/92/33/64/463923364.db2.gz YFHPMTBCXLBCKG-UHFFFAOYSA-N 2 0 342.553 2.069 20 30 EEEDRP C#CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289509802 464082532 /nfs/dbraw/zinc/08/25/32/464082532.db2.gz UQNNIHITIFYVIK-UHFFFAOYSA-N 2 0 341.499 2.158 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000264133033 464286900 /nfs/dbraw/zinc/28/69/00/464286900.db2.gz UMFNYSDOIKATHT-HZPDHXFCSA-N 2 0 332.492 2.358 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593884534 468419885 /nfs/dbraw/zinc/41/98/85/468419885.db2.gz XXADFPWZTLEWEL-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000353439965 465884876 /nfs/dbraw/zinc/88/48/76/465884876.db2.gz DJAAIEHWCDDPFT-IPMKNSEASA-N 2 0 333.520 2.437 20 30 EEEDRP C[NH+]1CCC(N2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC1 ZINC000367516870 466387488 /nfs/dbraw/zinc/38/74/88/466387488.db2.gz HPXWQMZSIATADT-SNVBAGLBSA-N 2 0 325.869 2.249 20 30 EEEDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OCC#N)cc1 ZINC000362031594 466499575 /nfs/dbraw/zinc/49/95/75/466499575.db2.gz CDZDNXVDLNHFAS-AEFFLSMTSA-N 2 0 342.487 2.408 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347249864 466509264 /nfs/dbraw/zinc/50/92/64/466509264.db2.gz GLQGMRICZPSXNX-GOSISDBHSA-N 2 0 331.460 2.500 20 30 EEEDRP C=CCOCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424024641 466955822 /nfs/dbraw/zinc/95/58/22/466955822.db2.gz XHAIMTVVGDAISC-UHFFFAOYSA-N 2 0 345.487 2.079 20 30 EEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000377830929 467148018 /nfs/dbraw/zinc/14/80/18/467148018.db2.gz ILFGDSQTWIEXJD-IBGZPJMESA-N 2 0 342.487 2.037 20 30 EEEDRP C=CCN(Cc1ccc(OC)cc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155369 467299705 /nfs/dbraw/zinc/29/97/05/467299705.db2.gz XNCMUTWNOOVMCL-UHFFFAOYSA-N 2 0 345.487 2.413 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592066058 468610171 /nfs/dbraw/zinc/61/01/71/468610171.db2.gz GUUMLWJOBNMQDM-MSOLQXFVSA-N 2 0 328.460 2.036 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000571419766 468786959 /nfs/dbraw/zinc/78/69/59/468786959.db2.gz MMCROWZGCFXMSC-IBGZPJMESA-N 2 0 342.487 2.213 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H](C)C1 ZINC000598609618 468932237 /nfs/dbraw/zinc/93/22/37/468932237.db2.gz SXNGJUOHZNTSDK-ZACQAIPSSA-N 2 0 325.497 2.014 20 30 EEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602783494 469072440 /nfs/dbraw/zinc/07/24/40/469072440.db2.gz ZVWLQSHCGIKULV-UHFFFAOYSA-N 2 0 334.508 2.096 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000644531770 470975124 /nfs/dbraw/zinc/97/51/24/470975124.db2.gz IQQKJPNTEOHUTG-QFBILLFUSA-N 2 0 330.472 2.229 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723296 782133106 /nfs/dbraw/zinc/13/31/06/782133106.db2.gz KGHKMQPVVYNHMW-FCEWJHQRSA-N 2 0 337.483 2.191 20 30 EEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000093132959 526933247 /nfs/dbraw/zinc/93/32/47/526933247.db2.gz YUHBOWDVUCTCMV-IBGZPJMESA-N 2 0 329.488 2.463 20 30 EEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cccc(OCC[NH+](C)C)c1 ZINC000753929766 577796378 /nfs/dbraw/zinc/79/63/78/577796378.db2.gz RXBHBGBAPVGBBD-HDICACEKSA-N 2 0 343.475 2.211 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC000969214222 674710888 /nfs/dbraw/zinc/71/08/88/674710888.db2.gz ZZIRIABKYVAAKM-GOSISDBHSA-N 2 0 345.406 2.210 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970800414 676159861 /nfs/dbraw/zinc/15/98/61/676159861.db2.gz NRSOGGZPAKHNPP-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970800415 676160065 /nfs/dbraw/zinc/16/00/65/676160065.db2.gz NRSOGGZPAKHNPP-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636395 676291386 /nfs/dbraw/zinc/29/13/86/676291386.db2.gz QFAVFGYTSIGQMN-LPHOPBHVSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC(=C)C)CC[C@@H]32)CC1 ZINC001021739683 676398296 /nfs/dbraw/zinc/39/82/96/676398296.db2.gz LWIDPWZXKYTSMU-UXHICEINSA-N 2 0 343.515 2.221 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001022370838 676854157 /nfs/dbraw/zinc/85/41/57/676854157.db2.gz YGNPVGMNZNXSKI-HDICACEKSA-N 2 0 345.406 2.257 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001023449206 679314644 /nfs/dbraw/zinc/31/46/44/679314644.db2.gz JRGREPPNHNUDQG-SJORKVTESA-N 2 0 330.476 2.240 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262328144 685369013 /nfs/dbraw/zinc/36/90/13/685369013.db2.gz AJNWUCQAVZZDOO-MWDXBVQZSA-N 2 0 336.524 2.229 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652647 681318956 /nfs/dbraw/zinc/31/89/56/681318956.db2.gz RRHSWETYMSGNBR-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750088 681412560 /nfs/dbraw/zinc/41/25/60/681412560.db2.gz LSOXCPWVKVNWHZ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001025160127 682133261 /nfs/dbraw/zinc/13/32/61/682133261.db2.gz ZTZRXOOPWGLJIH-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001020203990 683559613 /nfs/dbraw/zinc/55/96/13/683559613.db2.gz NOZFZNDGXAZETA-JOCQHMNTSA-N 2 0 327.881 2.413 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001026464279 684677821 /nfs/dbraw/zinc/67/78/21/684677821.db2.gz AYIMVJUWXJGPJG-ACBHZAAOSA-N 2 0 340.471 2.169 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598900 685113709 /nfs/dbraw/zinc/11/37/09/685113709.db2.gz KRIRMIGYLIMWJJ-IRXDYDNUSA-N 2 0 345.491 2.193 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686916 685225333 /nfs/dbraw/zinc/22/53/33/685225333.db2.gz ZEZUYTOPEWTZTF-QZTJIDSGSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262370650 685680955 /nfs/dbraw/zinc/68/09/55/685680955.db2.gz FIDICCSZSSERSH-GVDBMIGSSA-N 2 0 336.524 2.228 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027044141 685738551 /nfs/dbraw/zinc/73/85/51/685738551.db2.gz RGORFOGGPFRZDC-RTBURBONSA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518689 687089783 /nfs/dbraw/zinc/08/97/83/687089783.db2.gz VGSOXAHOBACSJV-UHFFFAOYSA-N 2 0 325.884 2.290 20 30 EEEDRP CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262759047 688380298 /nfs/dbraw/zinc/38/02/98/688380298.db2.gz FKROGDGHQBJUSK-QGZVFWFLSA-N 2 0 347.507 2.360 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986355137 688504580 /nfs/dbraw/zinc/50/45/80/688504580.db2.gz LJLIESNALCALIZ-DNVCBOLYSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC000989734891 692230948 /nfs/dbraw/zinc/23/09/48/692230948.db2.gz JFRQAJQCSJUVIY-UHFFFAOYSA-N 2 0 333.520 2.302 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027581586 693257433 /nfs/dbraw/zinc/25/74/33/693257433.db2.gz GENMLEAWKUFCSE-MOPGFXCFSA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC000978411249 693573831 /nfs/dbraw/zinc/57/38/31/693573831.db2.gz KIWQHUHLGWVAMT-NXOAAHMSSA-N 2 0 339.911 2.153 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC001482427263 1185681021 /nfs/dbraw/zinc/68/10/21/1185681021.db2.gz ACUBXVCXTQHKBY-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001105444434 1187182741 /nfs/dbraw/zinc/18/27/41/1187182741.db2.gz FLMYRWAZLHNYCN-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001105487110 1188103831 /nfs/dbraw/zinc/10/38/31/1188103831.db2.gz PZJPWBDDZRAXNB-PGYGNJIDSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302228 1188267963 /nfs/dbraw/zinc/26/79/63/1188267963.db2.gz LPWVZSRFQMHACS-UHFFFAOYSA-N 2 0 327.472 2.261 20 30 EEEDRP C#CCN1CC[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100995 1194382935 /nfs/dbraw/zinc/38/29/35/1194382935.db2.gz KLGUMXSOQJKBMD-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]2C1 ZINC000946820988 1195385279 /nfs/dbraw/zinc/38/52/79/1195385279.db2.gz GZTWDWQNMPMALJ-BGYRXZFFSA-N 2 0 339.483 2.165 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034010652 1195629414 /nfs/dbraw/zinc/62/94/14/1195629414.db2.gz BQABKGZYYYTKSP-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001034957598 1196918609 /nfs/dbraw/zinc/91/86/09/1196918609.db2.gz CIGWTKUUGUWQSK-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132125592 1199331947 /nfs/dbraw/zinc/33/19/47/1199331947.db2.gz XDUXSMOWTAFVSI-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001134749691 1199790623 /nfs/dbraw/zinc/79/06/23/1199790623.db2.gz BWSFHNORFCXRQM-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001132737379 1199965659 /nfs/dbraw/zinc/96/56/59/1199965659.db2.gz LDXQJXNBZCPJGO-SFHVURJKSA-N 2 0 345.462 2.005 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133012869 1200334420 /nfs/dbraw/zinc/33/44/20/1200334420.db2.gz VNDGRDZCXFSRHF-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114455762 1200566094 /nfs/dbraw/zinc/56/60/94/1200566094.db2.gz ITTYZFLPJJSMBZ-WNRNVDISSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001133399609 1200838814 /nfs/dbraw/zinc/83/88/14/1200838814.db2.gz TYIMJQDPPWIBGU-SFHVURJKSA-N 2 0 347.890 2.376 20 30 EEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000887132379 1204213419 /nfs/dbraw/zinc/21/34/19/1204213419.db2.gz DUPUGKFCGOWIAC-MRXNPFEDSA-N 2 0 349.438 2.493 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1 ZINC001275828929 1205554157 /nfs/dbraw/zinc/55/41/57/1205554157.db2.gz MQVZUOBVJKUOQH-UHFFFAOYSA-N 2 0 335.455 2.353 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934878 1206315384 /nfs/dbraw/zinc/31/53/84/1206315384.db2.gz PWVZTPBUFWOBRO-MKXGPGLRSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948065100 1208851074 /nfs/dbraw/zinc/85/10/74/1208851074.db2.gz HGQYPQMFUKQDGZ-SJLPKXTDSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C/C=C/Cl)CC2)CC1 ZINC001006445580 1209774411 /nfs/dbraw/zinc/77/44/11/1209774411.db2.gz KFKFTHVDQWYXFL-RUDMXATFSA-N 2 0 337.895 2.007 20 30 EEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)CC(C)C ZINC000303774782 1213904103 /nfs/dbraw/zinc/90/41/03/1213904103.db2.gz GCPPOGNRLCXBNT-SJORKVTESA-N 3 0 325.545 2.132 20 30 EEEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303774054 1213904237 /nfs/dbraw/zinc/90/42/37/1213904237.db2.gz FTBKUIKFGWPCLN-ZWKOTPCHSA-N 3 0 337.556 2.276 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000303881100 1213919483 /nfs/dbraw/zinc/91/94/83/1213919483.db2.gz HKFPKVUENBXZOT-HOTGVXAUSA-N 2 0 332.492 2.358 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC(CC)CC)C2)CC1 ZINC000957422301 1215115146 /nfs/dbraw/zinc/11/51/46/1215115146.db2.gz SLWUOIWYWJYJLU-UHFFFAOYSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)C2)CC1 ZINC000961027515 1217013524 /nfs/dbraw/zinc/01/35/24/1217013524.db2.gz NKFLDJDSFYLDBG-QLOJAFMTSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261133 1217116183 /nfs/dbraw/zinc/11/61/83/1217116183.db2.gz MTGCRFIOFDSYBF-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270472 1217120179 /nfs/dbraw/zinc/12/01/79/1217120179.db2.gz IHLBRSKPPHCPFK-ROUUACIJSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964643729 1218507616 /nfs/dbraw/zinc/50/76/16/1218507616.db2.gz JKBNHHANCUSITB-JDKNDNFBSA-N 2 0 343.515 2.434 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000965850262 1219289230 /nfs/dbraw/zinc/28/92/30/1219289230.db2.gz NZELGGWKKMDVTR-UHFFFAOYSA-N 2 0 328.460 2.354 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)C1 ZINC001008535569 1222913484 /nfs/dbraw/zinc/91/34/84/1222913484.db2.gz TVINSCRUDOVTGO-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)C1 ZINC001008535571 1222913817 /nfs/dbraw/zinc/91/38/17/1222913817.db2.gz TVINSCRUDOVTGO-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754941 1226843768 /nfs/dbraw/zinc/84/37/68/1226843768.db2.gz SETWPUITJGDWGO-MSOLQXFVSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016791553 1226881840 /nfs/dbraw/zinc/88/18/40/1226881840.db2.gz NZDLVGZBYWRJLN-HRCADAONSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001020250766 1229583309 /nfs/dbraw/zinc/58/33/09/1229583309.db2.gz POULSZMWWPMQOI-UFYCRDLUSA-N 2 0 339.483 2.083 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140403 1230356059 /nfs/dbraw/zinc/35/60/59/1230356059.db2.gz FYWPEXLULNCHTJ-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155328 1230375794 /nfs/dbraw/zinc/37/57/94/1230375794.db2.gz QIEGWTRLXIATAS-IBGZPJMESA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167107 1230390529 /nfs/dbraw/zinc/39/05/29/1230390529.db2.gz MBTREATVFVWWEV-LJQANCHMSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173037 1230397654 /nfs/dbraw/zinc/39/76/54/1230397654.db2.gz LOAOKSSQEZTAGE-QGZVFWFLSA-N 2 0 339.911 2.395 20 30 EEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039312529 1230521638 /nfs/dbraw/zinc/52/16/38/1230521638.db2.gz RVXILSUSYDTDPE-MQVJKMGUSA-N 2 0 325.884 2.336 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200899 1231097144 /nfs/dbraw/zinc/09/71/44/1231097144.db2.gz JHRKOIRJABWEQR-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699690 1231340038 /nfs/dbraw/zinc/34/00/38/1231340038.db2.gz DEWQQHFBNSEVIU-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396357 1231530638 /nfs/dbraw/zinc/53/06/38/1231530638.db2.gz SCARHDZLMUAAQT-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041422421 1231541032 /nfs/dbraw/zinc/54/10/32/1231541032.db2.gz NUDQNZADKNAXCQ-HXUWFJFHSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@@H](C)CC)C3)C2)CC1 ZINC001041842708 1231726662 /nfs/dbraw/zinc/72/66/62/1231726662.db2.gz ATOAOEWCQXEDRZ-GHTZIAJQSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845748 1231728957 /nfs/dbraw/zinc/72/89/57/1231728957.db2.gz PKMSCZVFTIHXGY-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063460 1231862023 /nfs/dbraw/zinc/86/20/23/1231862023.db2.gz XGUKLRRIHVNXQW-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270773 1231994893 /nfs/dbraw/zinc/99/48/93/1231994893.db2.gz SECOOCYZJPVUSX-IEBWSBKVSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951248 1234217405 /nfs/dbraw/zinc/21/74/05/1234217405.db2.gz BZPAULZCLMHXLJ-FPOVZHCZSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046941765 1235334652 /nfs/dbraw/zinc/33/46/52/1235334652.db2.gz PZZXHYGRMNKLGK-OWCLPIDISA-N 2 0 343.462 2.366 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047241155 1235726991 /nfs/dbraw/zinc/72/69/91/1235726991.db2.gz LTINOMUCZDCTPC-MISYRCLQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313549 1237316598 /nfs/dbraw/zinc/31/65/98/1237316598.db2.gz JWSOUOGTFJIDEP-YDZRNGNQSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572405 1237993743 /nfs/dbraw/zinc/99/37/43/1237993743.db2.gz HTBMZYBUPWEWSS-FCGDIQPGSA-N 2 0 331.504 2.242 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820365 1238739828 /nfs/dbraw/zinc/73/98/28/1238739828.db2.gz GQSFLPOOUCUXNY-GBESFXJTSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003457 1239716900 /nfs/dbraw/zinc/71/69/00/1239716900.db2.gz JOOUKJQDZITIQO-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]2C1 ZINC001049056884 1239878070 /nfs/dbraw/zinc/87/80/70/1239878070.db2.gz COOWPEXZPHBENH-BGYRXZFFSA-N 2 0 341.499 2.371 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188652 1240042937 /nfs/dbraw/zinc/04/29/37/1240042937.db2.gz BRYGJKZNYXCBAX-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC001000246585 1240097745 /nfs/dbraw/zinc/09/77/45/1240097745.db2.gz CSLPUOUGTMMNEE-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172233 1240176644 /nfs/dbraw/zinc/17/66/44/1240176644.db2.gz VKDHABNYJIRKBN-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791090 1242194355 /nfs/dbraw/zinc/19/43/55/1242194355.db2.gz PQRLKMJNOVMJET-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001001460318 1242313194 /nfs/dbraw/zinc/31/31/94/1242313194.db2.gz OROWOCOWWHWZEX-UHFFFAOYSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC3CCCC3)CC2)CC1 ZINC001001468799 1242331242 /nfs/dbraw/zinc/33/12/42/1242331242.db2.gz XJVPDUVXNYVEAD-UHFFFAOYSA-N 2 0 343.515 2.270 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]C(C)C)cc2F)CC1 ZINC001001536133 1242449316 /nfs/dbraw/zinc/44/93/16/1242449316.db2.gz JXXCVDXEUOKMBV-UHFFFAOYSA-N 2 0 345.462 2.285 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913150 1242672115 /nfs/dbraw/zinc/67/21/15/1242672115.db2.gz BQEWPQFASDACSP-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC2CC2)CC1 ZINC001049922331 1242722101 /nfs/dbraw/zinc/72/21/01/1242722101.db2.gz YTHKXGSOYCPVPC-WOJBJXKFSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097078837 1243675800 /nfs/dbraw/zinc/67/58/00/1243675800.db2.gz BYVYWKKBQFKTMK-AFYVEPGGSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC=C(C)C)CC3)CC1 ZINC001050764247 1244315129 /nfs/dbraw/zinc/31/51/29/1244315129.db2.gz ASVDEYVBLNLDFJ-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029941 1245715078 /nfs/dbraw/zinc/71/50/78/1245715078.db2.gz YRGPFMKQOIWGST-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001101427916 1245809800 /nfs/dbraw/zinc/80/98/00/1245809800.db2.gz WCEMMNWSEAOVHU-QUCCMNQESA-N 2 0 333.520 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158052 1247559555 /nfs/dbraw/zinc/55/95/55/1247559555.db2.gz DFUBSZOTTVUIHN-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197516 1247688013 /nfs/dbraw/zinc/68/80/13/1247688013.db2.gz YDOMPHDZLNTTHV-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245090 1247862985 /nfs/dbraw/zinc/86/29/85/1247862985.db2.gz OOIXFPCFXSAZCV-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001099106928 1257970026 /nfs/dbraw/zinc/97/00/26/1257970026.db2.gz SDBGWDMHXLPKSH-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001099496887 1258177898 /nfs/dbraw/zinc/17/78/98/1258177898.db2.gz MZVSQRKSGNPDSP-XSLAGTTESA-N 2 0 333.520 2.462 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299557 1278317164 /nfs/dbraw/zinc/31/71/64/1278317164.db2.gz XZOYJANLRTVGCW-HUUCEWRRSA-N 2 0 337.464 2.030 20 30 EEEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194153574 1282914941 /nfs/dbraw/zinc/91/49/41/1282914941.db2.gz FTWFPQHQLSKQRW-QZTJIDSGSA-N 2 0 339.524 2.210 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312055 1284753198 /nfs/dbraw/zinc/75/31/98/1284753198.db2.gz QLKWVXBYEUZBTI-UONOGXRCSA-N 2 0 325.884 2.098 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197724596 1284776532 /nfs/dbraw/zinc/77/65/32/1284776532.db2.gz UXJLEZGDENBDQK-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1OC ZINC001198959924 1285442760 /nfs/dbraw/zinc/44/27/60/1285442760.db2.gz FAWCVAQJFOOCEG-QGZVFWFLSA-N 2 0 343.471 2.114 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202087303 1289912124 /nfs/dbraw/zinc/91/21/24/1289912124.db2.gz KKXOUPALXWJBHE-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896577 1294980955 /nfs/dbraw/zinc/98/09/55/1294980955.db2.gz GZULWXRERFFDEC-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C[C@@H](CC)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000931254368 1297125788 /nfs/dbraw/zinc/12/57/88/1297125788.db2.gz KTYCGHBUZYTVDH-KRWDZBQOSA-N 2 0 330.476 2.312 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001216837769 1297309858 /nfs/dbraw/zinc/30/98/58/1297309858.db2.gz QQJHJBZFBGYURE-QWFCFKBJSA-N 2 0 347.547 2.450 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099062230 1298845007 /nfs/dbraw/zinc/84/50/07/1298845007.db2.gz WKYICBXZPBZFIK-BJLQDIEVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099542071 1299202959 /nfs/dbraw/zinc/20/29/59/1299202959.db2.gz AQQOLRZECZZPAJ-NXOAAHMSSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086463 1302192797 /nfs/dbraw/zinc/19/27/97/1302192797.db2.gz DOMXIXNPVNVREN-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001228647339 1302359539 /nfs/dbraw/zinc/35/95/39/1302359539.db2.gz RALWVJFTIDYKBZ-RTBURBONSA-N 2 0 329.488 2.364 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230714178 1303409742 /nfs/dbraw/zinc/40/97/42/1303409742.db2.gz XKZLKAQRJMKZMM-SFHVURJKSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CCC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230924613 1303549684 /nfs/dbraw/zinc/54/96/84/1303549684.db2.gz SNQAGJBLNWVZRT-UHFFFAOYSA-N 2 0 330.476 2.062 20 30 EEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001112355697 1304485577 /nfs/dbraw/zinc/48/55/77/1304485577.db2.gz NMVKTONYKYLVEM-BJLQDIEVSA-N 2 0 331.504 2.123 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001112465987 1304565500 /nfs/dbraw/zinc/56/55/00/1304565500.db2.gz BCTIUOCWRFGXBM-PXNSSMCTSA-N 2 0 336.439 2.190 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC001115294126 1304910811 /nfs/dbraw/zinc/91/08/11/1304910811.db2.gz KEFALMBPEKXMED-BWTSREIZSA-N 2 0 327.472 2.374 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559592 1305360530 /nfs/dbraw/zinc/36/05/30/1305360530.db2.gz CFEUGZHKECULFD-INIZCTEOSA-N 2 0 325.472 2.098 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768553 1305752830 /nfs/dbraw/zinc/75/28/30/1305752830.db2.gz BTRJUPGLAJMGBG-ROUUACIJSA-N 2 0 331.504 2.435 20 30 EEEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246008173 1310208128 /nfs/dbraw/zinc/20/81/28/1310208128.db2.gz OXIBHJJRDJIHTG-IRXDYDNUSA-N 2 0 329.529 2.451 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246310255 1310278156 /nfs/dbraw/zinc/27/81/56/1310278156.db2.gz GSSSFAKTYFFEOK-FHWLQOOXSA-N 2 0 345.487 2.296 20 30 EEEDRP N#Cc1ccccc1C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246361139 1310290105 /nfs/dbraw/zinc/29/01/05/1310290105.db2.gz KBFUWIMOWXQPED-JWTNVVGKSA-N 2 0 338.455 2.035 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149863188 1316071374 /nfs/dbraw/zinc/07/13/74/1316071374.db2.gz YQLRFOIYEWAOCR-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226080 1317509661 /nfs/dbraw/zinc/50/96/61/1317509661.db2.gz GUSZIKCSMJQXCN-IAGOWNOFSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@@H](CC#N)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001255152561 1318304126 /nfs/dbraw/zinc/30/41/26/1318304126.db2.gz XMHUCFKKIASOGO-ROUUACIJSA-N 2 0 342.487 2.083 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001157887035 1318917703 /nfs/dbraw/zinc/91/77/03/1318917703.db2.gz PUPQBTKPGLJBAT-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)Cc2cccnc2)CC1 ZINC001258630459 1319313501 /nfs/dbraw/zinc/31/35/01/1319313501.db2.gz AKNOFIYYLAZGQI-LJQANCHMSA-N 2 0 328.504 2.304 20 30 EEEDRP C[NH+]1CCC(N(c2cc(Cl)ncc2C#N)C2CC[NH2+]CC2)CC1 ZINC001158575780 1319315950 /nfs/dbraw/zinc/31/59/50/1319315950.db2.gz VLBSSVNPORXYIC-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352815 1320142298 /nfs/dbraw/zinc/14/22/98/1320142298.db2.gz NECDLSXOOIQJSU-LJQANCHMSA-N 2 0 331.504 2.126 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160869691 1320298449 /nfs/dbraw/zinc/29/84/49/1320298449.db2.gz RKQKIKPIIUIDMD-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001161250673 1320434812 /nfs/dbraw/zinc/43/48/12/1320434812.db2.gz BNVINVBAFFUGAO-UHFFFAOYSA-N 2 0 334.439 2.024 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)(COC)CC1 ZINC001162320144 1320820226 /nfs/dbraw/zinc/82/02/26/1320820226.db2.gz HWRRYDTVBYPOII-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1 ZINC001163224717 1321071459 /nfs/dbraw/zinc/07/14/59/1321071459.db2.gz XJZRXBCFJLFJOA-LJQANCHMSA-N 2 0 340.471 2.029 20 30 EEEDRP N#Cc1c2c(cnc1N1CCCC[C@H]1C1CC[NH2+]CC1)C[NH2+]CCC2 ZINC001165318944 1321500347 /nfs/dbraw/zinc/50/03/47/1321500347.db2.gz FNMIIRGCRJNKMF-IBGZPJMESA-N 2 0 339.487 2.348 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001166858011 1321803139 /nfs/dbraw/zinc/80/31/39/1321803139.db2.gz KJUUULIDHKUJOX-KRWDZBQOSA-N 2 0 335.879 2.128 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203586728 1321917017 /nfs/dbraw/zinc/91/70/17/1321917017.db2.gz ASPICDUXGVADQP-MOPGFXCFSA-N 2 0 343.515 2.149 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865474 1323641257 /nfs/dbraw/zinc/64/12/57/1323641257.db2.gz QPGSHGLBWYVCRD-OAQYLSRUSA-N 2 0 341.499 2.315 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951424 1323737488 /nfs/dbraw/zinc/73/74/88/1323737488.db2.gz QCBBNQGEOCHQCA-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206954774 1323742213 /nfs/dbraw/zinc/74/22/13/1323742213.db2.gz WKXDLDPQMYGFPJ-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP CC(=O)Nc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1C#N ZINC001210269557 1325225866 /nfs/dbraw/zinc/22/58/66/1325225866.db2.gz WULKNNZFPKNAMW-UHFFFAOYSA-N 2 0 336.399 2.065 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001210784333 1325430501 /nfs/dbraw/zinc/43/05/01/1325430501.db2.gz YJAAOJHDZGMDIM-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001491685782 1330205640 /nfs/dbraw/zinc/20/56/40/1330205640.db2.gz ZBNKXBHIHAIIBM-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CCCN1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC001335988977 1336460837 /nfs/dbraw/zinc/46/08/37/1336460837.db2.gz YAETWQNXHOUKDB-IBGZPJMESA-N 2 0 330.472 2.120 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038387 1337948029 /nfs/dbraw/zinc/94/80/29/1337948029.db2.gz IWGVXDRPIVIRMY-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001353584455 1338293478 /nfs/dbraw/zinc/29/34/78/1338293478.db2.gz WUBHGKVJBDBLGL-LJQANCHMSA-N 2 0 344.503 2.446 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001588631633 1348924122 /nfs/dbraw/zinc/92/41/22/1348924122.db2.gz JTCUCEVYLBZIAI-KRWDZBQOSA-N 2 0 341.463 2.103 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001389350457 1388065458 /nfs/dbraw/zinc/06/54/58/1388065458.db2.gz PLKGIIGJVQQYEN-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578304 1373055145 /nfs/dbraw/zinc/05/51/45/1373055145.db2.gz RLYWZIDRNSDZOD-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001100678323 1373117393 /nfs/dbraw/zinc/11/73/93/1373117393.db2.gz HJXLCMWPGKXHDA-KVULBXGLSA-N 2 0 345.890 2.436 20 30 EEEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239059 1374141145 /nfs/dbraw/zinc/14/11/45/1374141145.db2.gz DNMAFUICRBLGQK-RHSMWYFYSA-N 2 0 348.516 2.334 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367830184 1374278551 /nfs/dbraw/zinc/27/85/51/1374278551.db2.gz HBRJNUQSFXWZMR-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001367906428 1374305625 /nfs/dbraw/zinc/30/56/25/1374305625.db2.gz BAHQFMXKQWAZQC-IAGOWNOFSA-N 2 0 348.516 2.190 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001378893651 1380243472 /nfs/dbraw/zinc/24/34/72/1380243472.db2.gz COANXJOPRSNMJD-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001379468653 1380717919 /nfs/dbraw/zinc/71/79/19/1380717919.db2.gz XKGYBRVANQMANT-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001392964850 1390263388 /nfs/dbraw/zinc/26/33/88/1390263388.db2.gz MPAZRDYKEOCPAE-INIZCTEOSA-N 2 0 346.500 2.233 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001422572829 1400034207 /nfs/dbraw/zinc/03/42/07/1400034207.db2.gz NYXKCGCDXRAKAE-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC001423240293 1400492378 /nfs/dbraw/zinc/49/23/78/1400492378.db2.gz DGMCXHFACFBIQG-KRWDZBQOSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001424170571 1400946114 /nfs/dbraw/zinc/94/61/14/1400946114.db2.gz LTVFQTPBBFYYRJ-HNNXBMFYSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2F)CCC1)[NH+](C)C ZINC001424212713 1400973148 /nfs/dbraw/zinc/97/31/48/1400973148.db2.gz KRGCDODGVBYMEW-KRWDZBQOSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001425876738 1401787072 /nfs/dbraw/zinc/78/70/72/1401787072.db2.gz FHZRANIWBZFCRP-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP CN(C(=O)C[N@H+](C)C1CCC1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001426210679 1401959109 /nfs/dbraw/zinc/95/91/09/1401959109.db2.gz YXCPPRIWHCKRCM-UHFFFAOYSA-N 2 0 346.500 2.183 20 30 EEEDRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001755248815 1407259512 /nfs/dbraw/zinc/25/95/12/1407259512.db2.gz KCPITQWZVOCLRN-JKSUJKDBSA-N 2 0 333.451 2.002 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001731264561 1405840219 /nfs/dbraw/zinc/84/02/19/1405840219.db2.gz PSKMMKALSDXRMK-GOSISDBHSA-N 2 0 348.466 2.222 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001755427781 1407443942 /nfs/dbraw/zinc/44/39/42/1407443942.db2.gz JYJIPGUIZSDYIT-MKXGPGLRSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCCCF)CC2)CC1 ZINC001755900238 1407974706 /nfs/dbraw/zinc/97/47/06/1407974706.db2.gz YQLPUCFGBBQMOK-UHFFFAOYSA-N 2 0 349.494 2.220 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100677035 1410693517 /nfs/dbraw/zinc/69/35/17/1410693517.db2.gz WSVZTDXYGDJKEY-WLYUNCDWSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001075418074 759633562 /nfs/dbraw/zinc/63/35/62/759633562.db2.gz WOMNFNIEBSYUCF-ICSRJNTNSA-N 2 0 349.519 2.034 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001167655350 760879122 /nfs/dbraw/zinc/87/91/22/760879122.db2.gz NVLDQMJGLLFSPU-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461825 760942533 /nfs/dbraw/zinc/94/25/33/760942533.db2.gz SCSHJHNETNQGDS-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001112528510 770300544 /nfs/dbraw/zinc/30/05/44/770300544.db2.gz FZMZSDOWMYSPLG-NSHGMRRFSA-N 2 0 333.520 2.348 20 30 EEEDRP CCCCCCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871069 770347068 /nfs/dbraw/zinc/34/70/68/770347068.db2.gz ZZCPQXMXTUSLLI-UHFFFAOYSA-N 2 0 327.513 2.019 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078547 782872155 /nfs/dbraw/zinc/87/21/55/782872155.db2.gz LXRWCDPOOASPRV-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473428 782894973 /nfs/dbraw/zinc/89/49/73/782894973.db2.gz GXMYEAWGKACFTL-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](C)C1 ZINC000942717957 783048581 /nfs/dbraw/zinc/04/85/81/783048581.db2.gz AYQDPDYYOIAUED-DOTOQJQBSA-N 2 0 346.475 2.287 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131704717 783083879 /nfs/dbraw/zinc/08/38/79/783083879.db2.gz ZHSIHJGFCOTPIA-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980167630 773993247 /nfs/dbraw/zinc/99/32/47/773993247.db2.gz FLKHOGPBVKXJDG-OKZBNKHCSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717898 774677776 /nfs/dbraw/zinc/67/77/76/774677776.db2.gz HRAAHMIVCQKKSA-SFHVURJKSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833498 777339097 /nfs/dbraw/zinc/33/90/97/777339097.db2.gz LATZXSJAPIJLPN-FFGOWVMKSA-N 2 0 348.450 2.140 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997647965 790537975 /nfs/dbraw/zinc/53/79/75/790537975.db2.gz FHHNESLFIJSEST-HNNXBMFYSA-N 2 0 338.455 2.496 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653897 790551434 /nfs/dbraw/zinc/55/14/34/790551434.db2.gz UMKZBDQLBVJGBY-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000981768764 778184743 /nfs/dbraw/zinc/18/47/43/778184743.db2.gz RNYJLCCZZRSPEA-SFHVURJKSA-N 2 0 343.515 2.199 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995210900 781883461 /nfs/dbraw/zinc/88/34/61/781883461.db2.gz MDXJHESVOUBODC-QFBILLFUSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2C#N)cc1 ZINC001135340807 783605360 /nfs/dbraw/zinc/60/53/60/783605360.db2.gz JGQSIOJRARIQAL-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184914 784021984 /nfs/dbraw/zinc/02/19/84/784021984.db2.gz PWRNQBFGJVYVCS-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199812 784038676 /nfs/dbraw/zinc/03/86/76/784038676.db2.gz PQRILXAGQFNYEG-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035219926 784095951 /nfs/dbraw/zinc/09/59/51/784095951.db2.gz FMRILTMKILPOMB-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035834464 785254749 /nfs/dbraw/zinc/25/47/49/785254749.db2.gz AAONVRPVANWSBL-UHFFFAOYSA-N 2 0 328.460 2.262 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035836147 785257415 /nfs/dbraw/zinc/25/74/15/785257415.db2.gz VLYIEGXFFXAXMG-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000997008707 788448084 /nfs/dbraw/zinc/44/80/84/788448084.db2.gz DTVRUUDHZIECCF-INIZCTEOSA-N 2 0 334.489 2.041 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946856621 788779292 /nfs/dbraw/zinc/77/92/92/788779292.db2.gz KOJACMZLLNHSDJ-YESZJQIVSA-N 2 0 339.911 2.251 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089908917 789794986 /nfs/dbraw/zinc/79/49/86/789794986.db2.gz HHPKRDSYCVZPGD-VJANTYMQSA-N 2 0 331.504 2.217 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001091100124 789803352 /nfs/dbraw/zinc/80/33/52/789803352.db2.gz HQPFENOXYFWHCV-CTWPCTMYSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1C ZINC001089909683 789828912 /nfs/dbraw/zinc/82/89/12/789828912.db2.gz YELRFLKCOFUTCA-HZMVEIRTSA-N 2 0 348.878 2.113 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171204064 790011718 /nfs/dbraw/zinc/01/17/18/790011718.db2.gz RZEAVVICTNKHDJ-SFHVURJKSA-N 2 0 328.504 2.449 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591875 791360684 /nfs/dbraw/zinc/36/06/84/791360684.db2.gz HUYVDUFIHHVQFH-DLBZAZTESA-N 2 0 347.478 2.390 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647633 792075288 /nfs/dbraw/zinc/07/52/88/792075288.db2.gz IYKZIDWELHDNDP-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001040701410 792379306 /nfs/dbraw/zinc/37/93/06/792379306.db2.gz JXSOSGRTZSFMII-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC000998266063 792396584 /nfs/dbraw/zinc/39/65/84/792396584.db2.gz HIRIBUPZWSZVCS-STQMWFEESA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738097 792598764 /nfs/dbraw/zinc/59/87/64/792598764.db2.gz QBVNEDSHGCDPOM-QFUCXCTJSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956094 793097514 /nfs/dbraw/zinc/09/75/14/793097514.db2.gz DZIZYGBURXGTBL-JKSUJKDBSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC)CC3)CC1 ZINC001086958039 793102908 /nfs/dbraw/zinc/10/29/08/793102908.db2.gz CAIUDSFQTZBYRD-KRWDZBQOSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999098279 793781343 /nfs/dbraw/zinc/78/13/43/793781343.db2.gz DEFYRSMDLYJFOS-UHFFFAOYSA-N 2 0 345.834 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC000992512343 794463635 /nfs/dbraw/zinc/46/36/35/794463635.db2.gz RXXFRXCQTZGPKI-FPOVZHCZSA-N 2 0 343.515 2.245 20 30 EEEDRP CC[NH+]=C(NCc1cc(C)c(O)c(C)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176449047 794743793 /nfs/dbraw/zinc/74/37/93/794743793.db2.gz RYDUJYVEDSWLFU-SFHVURJKSA-N 2 0 342.487 2.421 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457254 796268022 /nfs/dbraw/zinc/26/80/22/796268022.db2.gz ZHVPGVKETVRGRZ-NLWGTHIKSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497281 796290556 /nfs/dbraw/zinc/29/05/56/796290556.db2.gz REMAOWGDDIRELJ-NLWGTHIKSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902898 796441419 /nfs/dbraw/zinc/44/14/19/796441419.db2.gz RQHGGKKVIRAGSO-UYAOXDASSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC(=C)C)C2)CC1 ZINC001036903034 796441687 /nfs/dbraw/zinc/44/16/87/796441687.db2.gz ULMWOKUAHJRCNJ-WOJBJXKFSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC001080998233 796548341 /nfs/dbraw/zinc/54/83/41/796548341.db2.gz WMZKEDFXSOUOMI-VQIMIIECSA-N 2 0 345.531 2.204 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081097831 796631445 /nfs/dbraw/zinc/63/14/45/796631445.db2.gz HYDIFBJCAJOPIP-RCCFBDPRSA-N 2 0 347.890 2.417 20 30 EEEDRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972041 797176128 /nfs/dbraw/zinc/17/61/28/797176128.db2.gz VXOMEJQWQOIEIR-PMPSAXMXSA-N 2 0 336.480 2.352 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC001002146154 797624537 /nfs/dbraw/zinc/62/45/37/797624537.db2.gz YEPAYLLJWWXPEX-KRWDZBQOSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267316 798411827 /nfs/dbraw/zinc/41/18/27/798411827.db2.gz ANJXCQJWRMBLFF-KRWDZBQOSA-N 2 0 327.513 2.186 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766575 798441734 /nfs/dbraw/zinc/44/17/34/798441734.db2.gz DUFYSWZVLMZNRA-RTBURBONSA-N 2 0 331.504 2.217 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563770 798497477 /nfs/dbraw/zinc/49/74/77/798497477.db2.gz HEDSNTIIGOZARL-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176844595 798617947 /nfs/dbraw/zinc/61/79/47/798617947.db2.gz LSEDYJARVCTVHM-HDICACEKSA-N 2 0 327.472 2.007 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101582 798674854 /nfs/dbraw/zinc/67/48/54/798674854.db2.gz RYNAVBOGHGDURW-AABGKKOBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001177437492 798969774 /nfs/dbraw/zinc/96/97/74/798969774.db2.gz SAPVSQMFOYYWHQ-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C[NH+]=C(NC[C@H](OC)c1ccc(F)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262813293 799959233 /nfs/dbraw/zinc/95/92/33/799959233.db2.gz VXJLKKBBWZMNQE-ROUUACIJSA-N 2 0 346.450 2.035 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181729105 800882431 /nfs/dbraw/zinc/88/24/31/800882431.db2.gz VTVGUWGSBJBDAU-YVWKXTFCSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184681956 802149512 /nfs/dbraw/zinc/14/95/12/802149512.db2.gz ACUDFWDNBLEHAL-SJORKVTESA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004508943 802246813 /nfs/dbraw/zinc/24/68/13/802246813.db2.gz VVPRYEIPHXNXTC-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621009 802255451 /nfs/dbraw/zinc/25/54/51/802255451.db2.gz GLVYMKKQBMAMNX-ZCNNSNEGSA-N 2 0 345.531 2.158 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086399742 802896878 /nfs/dbraw/zinc/89/68/78/802896878.db2.gz KPGCEONHOMRXFX-YHUYYLMFSA-N 2 0 325.884 2.240 20 30 EEEDRP Cc1ncn(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1CSCC[NH3+] ZINC001168790333 803338876 /nfs/dbraw/zinc/33/88/76/803338876.db2.gz GTQNNLMGVNHTBY-SRZZPIQSSA-N 2 0 342.472 2.466 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354988 803358908 /nfs/dbraw/zinc/35/89/08/803358908.db2.gz SNZMIGWHOIZGHK-PKOBYXMFSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108732802 804418266 /nfs/dbraw/zinc/41/82/66/804418266.db2.gz CTDFQBLFAZQPPT-KSZLIROESA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001131608507 813020778 /nfs/dbraw/zinc/02/07/78/813020778.db2.gz CHAIIQKUXWJMCH-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001131667166 813097428 /nfs/dbraw/zinc/09/74/28/813097428.db2.gz YPUOQDQISKRWGD-XLIONFOSSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001437024928 1088822178 /nfs/dbraw/zinc/82/21/78/1088822178.db2.gz VGXGZPVVIMAXGM-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438527353 1091020674 /nfs/dbraw/zinc/02/06/74/1091020674.db2.gz FUAKOTWPHATOEP-MRXNPFEDSA-N 2 0 344.503 2.378 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001438936268 1091619272 /nfs/dbraw/zinc/61/92/72/1091619272.db2.gz GLXMNAYGJBCEAV-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441932625 1096122859 /nfs/dbraw/zinc/12/28/59/1096122859.db2.gz PJAMBCBYOILQGM-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001502000339 1113553530 /nfs/dbraw/zinc/55/35/30/1113553530.db2.gz ZYCALJZRUXZZLZ-MRXNPFEDSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001505443152 1113977446 /nfs/dbraw/zinc/97/74/46/1113977446.db2.gz FGYMHCAMIWBMFJ-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000072811327 216310006 /nfs/dbraw/zinc/31/00/06/216310006.db2.gz HOITWMIOTNHACO-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000491704849 533099940 /nfs/dbraw/zinc/09/99/40/533099940.db2.gz BXXCNFMBFKZCSB-UHFFFAOYSA-N 2 0 332.448 2.375 20 30 EEEDRP CC(C)[NH+](C)CCNc1nc(NCC[N@@H+](C)C(C)C)ccc1C#N ZINC000195254061 256008559 /nfs/dbraw/zinc/00/85/59/256008559.db2.gz LEWYVWKMVSLWCK-UHFFFAOYSA-N 2 0 332.496 2.457 20 30 EEEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428270 465264858 /nfs/dbraw/zinc/26/48/58/465264858.db2.gz HCVHWABKDQAGAW-LJQANCHMSA-N 2 0 326.444 2.305 20 30 EEEDRP COCCNC(=[NH2+])NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000066243453 462866049 /nfs/dbraw/zinc/86/60/49/462866049.db2.gz ZSMWZTRFTNOFMI-HZPDHXFCSA-N 2 0 332.492 2.215 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000050025748 462984880 /nfs/dbraw/zinc/98/48/80/462984880.db2.gz RPYPNFWPAYKXQW-HXUWFJFHSA-N 2 0 341.499 2.313 20 30 EEEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C[C@H](C)O1 ZINC000288801859 464058629 /nfs/dbraw/zinc/05/86/29/464058629.db2.gz ZGUWLXQVADPFHD-RYUDHWBXSA-N 2 0 326.391 2.191 20 30 EEEDRP C#CCCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000289470379 464080172 /nfs/dbraw/zinc/08/01/72/464080172.db2.gz PJMGXWTXHBSDPH-UHFFFAOYSA-N 2 0 329.488 2.158 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000579704449 468398824 /nfs/dbraw/zinc/39/88/24/468398824.db2.gz ACDBFRKHWJRJGX-LPHOPBHVSA-N 2 0 330.472 2.395 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC000264080688 464281060 /nfs/dbraw/zinc/28/10/60/464281060.db2.gz IINUIBMFKLFNEL-OAHLLOKOSA-N 2 0 336.480 2.084 20 30 EEEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937301 464378452 /nfs/dbraw/zinc/37/84/52/464378452.db2.gz JNQZOAJCXKDVAE-LJQANCHMSA-N 2 0 326.444 2.305 20 30 EEEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293712044 464417722 /nfs/dbraw/zinc/41/77/22/464417722.db2.gz DYJBWBOEAGAZPP-MSOLQXFVSA-N 2 0 342.487 2.441 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000593918236 468432755 /nfs/dbraw/zinc/43/27/55/468432755.db2.gz BLOXYTVNFQZVMC-PKOBYXMFSA-N 2 0 340.471 2.156 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000417058101 466766482 /nfs/dbraw/zinc/76/64/82/466766482.db2.gz DOYMEZVNMYQWKK-FCGDIQPGSA-N 2 0 348.535 2.372 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000424128870 466986016 /nfs/dbraw/zinc/98/60/16/466986016.db2.gz CPHBSLKRIYAYCD-QGZVFWFLSA-N 2 0 348.878 2.442 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000527131746 467655784 /nfs/dbraw/zinc/65/57/84/467655784.db2.gz LXSYRMGIPBCBNI-UHFFFAOYSA-N 2 0 337.855 2.169 20 30 EEEDRP CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCC1 ZINC000563617877 469242770 /nfs/dbraw/zinc/24/27/70/469242770.db2.gz IRIAOISCSRSMSM-GOSISDBHSA-N 2 0 345.487 2.204 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000660597194 471409268 /nfs/dbraw/zinc/40/92/68/471409268.db2.gz MPPQEQRTOZZUKQ-UHFFFAOYSA-N 2 0 348.535 2.448 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021205 782134021 /nfs/dbraw/zinc/13/40/21/782134021.db2.gz CJUFPXJPCBVXMV-KGLIPLIRSA-N 2 0 344.297 2.008 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728254 782141338 /nfs/dbraw/zinc/14/13/38/782141338.db2.gz MTDBXULPZPFGIH-RBUKOAKNSA-N 2 0 327.472 2.007 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371317 679277736 /nfs/dbraw/zinc/27/77/36/679277736.db2.gz XMNUFZLYKJCJFZ-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001026900897 685271507 /nfs/dbraw/zinc/27/15/07/685271507.db2.gz GCBLLTXSTZTAFB-OALUTQOASA-N 2 0 342.487 2.083 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984798811 685273681 /nfs/dbraw/zinc/27/36/81/685273681.db2.gz CAQANJHJTQVOOT-ATZDWAIDSA-N 2 0 340.471 2.027 20 30 EEEDRP CN(c1cc(C#N)sc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892480923 680071025 /nfs/dbraw/zinc/07/10/25/680071025.db2.gz HLYBJJXXMRYNQI-ZDUSSCGKSA-N 2 0 349.460 2.133 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028600801 681347046 /nfs/dbraw/zinc/34/70/46/681347046.db2.gz DLUUBWUETPJTKI-PMACEKPBSA-N 2 0 339.483 2.031 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262344635 685461682 /nfs/dbraw/zinc/46/16/82/685461682.db2.gz DDYWAKSWDNBAQP-RCCFBDPRSA-N 2 0 348.535 2.372 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726237 682111756 /nfs/dbraw/zinc/11/17/56/682111756.db2.gz SVWMZHPRXUFFRJ-UKAVVXHISA-N 2 0 345.531 2.301 20 30 EEEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261953292 682624253 /nfs/dbraw/zinc/62/42/53/682624253.db2.gz IBGBEIJZNLOIGA-BZSNNMDCSA-N 2 0 346.523 2.073 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514793 682943380 /nfs/dbraw/zinc/94/33/80/682943380.db2.gz FWTDYUMTHFUGDW-HOTGVXAUSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC000992740460 683334504 /nfs/dbraw/zinc/33/45/04/683334504.db2.gz MRWKTGWOOADKPS-ZYSHUDEJSA-N 2 0 336.439 2.106 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001026582739 684762518 /nfs/dbraw/zinc/76/25/18/684762518.db2.gz WJSLGDJBKQTWNT-UHFFFAOYSA-N 2 0 327.900 2.488 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988966338 691332854 /nfs/dbraw/zinc/33/28/54/691332854.db2.gz LEKXCCQLULIFHX-CRAIPNDOSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C[C@@H]2C)CC1 ZINC000989828379 692370824 /nfs/dbraw/zinc/37/08/24/692370824.db2.gz CDZAVLQPHUXYBU-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C[C@@H]2C)CC1 ZINC000989828559 692371220 /nfs/dbraw/zinc/37/12/20/692371220.db2.gz FRHIIRHTCSTBFB-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646215 692875578 /nfs/dbraw/zinc/87/55/78/692875578.db2.gz WBZDIYDQHUOUNC-GOSISDBHSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001105428877 1187037162 /nfs/dbraw/zinc/03/71/62/1187037162.db2.gz FCCVWEDSBKRUGS-RVWIWJKTSA-N 2 0 341.499 2.156 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001088630834 1188019504 /nfs/dbraw/zinc/01/95/04/1188019504.db2.gz CNCOXIAEBOOMQS-MNEFBYGVSA-N 2 0 343.446 2.002 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544325 1188157875 /nfs/dbraw/zinc/15/78/75/1188157875.db2.gz HHHYPYBWCJNNHJ-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1 ZINC001105544912 1188166639 /nfs/dbraw/zinc/16/66/39/1188166639.db2.gz YSBZGJGWEKSTPN-KURKYZTESA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991064329 1189766441 /nfs/dbraw/zinc/76/64/41/1189766441.db2.gz CWHRBDQDJTYSEF-QWFCFKBJSA-N 2 0 331.504 2.386 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001272478525 1190843884 /nfs/dbraw/zinc/84/38/84/1190843884.db2.gz MDVZWTMTDXRYPQ-IBGZPJMESA-N 2 0 348.491 2.157 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484356222 1191316493 /nfs/dbraw/zinc/31/64/93/1191316493.db2.gz UXFBWDFTLKMXAK-HOTGVXAUSA-N 2 0 327.900 2.297 20 30 EEEDRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777251 1195260776 /nfs/dbraw/zinc/26/07/76/1195260776.db2.gz UDHSSRRMXPGMJZ-PMACEKPBSA-N 2 0 339.483 2.055 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001033935000 1195544126 /nfs/dbraw/zinc/54/41/26/1195544126.db2.gz BAHGIZVDTDJLAQ-WMZOPIPTSA-N 2 0 330.476 2.253 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001034046970 1195698884 /nfs/dbraw/zinc/69/88/84/1195698884.db2.gz WUFHOSRNJWNLNQ-LJQANCHMSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404139 1196197075 /nfs/dbraw/zinc/19/70/75/1196197075.db2.gz GWQRBEGQJYWUGL-MRXNPFEDSA-N 2 0 346.475 2.431 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001034794411 1196731509 /nfs/dbraw/zinc/73/15/09/1196731509.db2.gz GOYYAKDLLHKQQB-SHTZXODSSA-N 2 0 346.500 2.233 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001410890006 1198541724 /nfs/dbraw/zinc/54/17/24/1198541724.db2.gz SAYLBDYPVZBMKI-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374901 1199636367 /nfs/dbraw/zinc/63/63/67/1199636367.db2.gz AOUBDKDRYQLTIW-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736558 1199780115 /nfs/dbraw/zinc/78/01/15/1199780115.db2.gz GQIRDCJWPTVTTD-SJORKVTESA-N 2 0 339.524 2.184 20 30 EEEDRP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128780764 1201630558 /nfs/dbraw/zinc/63/05/58/1201630558.db2.gz SSLXPEDNXKBGQO-OAHLLOKOSA-N 2 0 335.521 2.253 20 30 EEEDRP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128783148 1201631117 /nfs/dbraw/zinc/63/11/17/1201631117.db2.gz VZLSMOSLXLPEJQ-HNNXBMFYSA-N 2 0 335.521 2.253 20 30 EEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000104183188 1204613373 /nfs/dbraw/zinc/61/33/73/1204613373.db2.gz ZVAOJIQZOULRRW-KRWDZBQOSA-N 2 0 325.545 2.133 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001275957384 1205602786 /nfs/dbraw/zinc/60/27/86/1205602786.db2.gz XNVNQCVEKRTBBJ-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCCN3C)n[nH]1)C2 ZINC001095442351 1205758586 /nfs/dbraw/zinc/75/85/86/1205758586.db2.gz XENATGWWJKUMLH-BODMPHMZSA-N 2 0 343.475 2.088 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000924142754 1205937582 /nfs/dbraw/zinc/93/75/82/1205937582.db2.gz LLRGTBJWRINGGY-RBUKOAKNSA-N 2 0 327.472 2.085 20 30 EEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924918833 1206050972 /nfs/dbraw/zinc/05/09/72/1206050972.db2.gz FEVAWBJWPIOMRG-HNNXBMFYSA-N 2 0 330.476 2.396 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018391 1207473216 /nfs/dbraw/zinc/47/32/16/1207473216.db2.gz SPTUHGGUELUJKH-BDXSIMOUSA-N 2 0 337.508 2.031 20 30 EEEDRP C#CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000932387986 1207595318 /nfs/dbraw/zinc/59/53/18/1207595318.db2.gz PZMYJAMQWZOFHQ-UHFFFAOYSA-N 2 0 341.499 2.419 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111040569 1207675984 /nfs/dbraw/zinc/67/59/84/1207675984.db2.gz QWLJCKVQLAOYMP-MANSERQUSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCN1CCOCC1)C2 ZINC001111147374 1208288463 /nfs/dbraw/zinc/28/84/63/1208288463.db2.gz XWHSTLLLPDSSQZ-QRVBRYPASA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948770449 1209363401 /nfs/dbraw/zinc/36/34/01/1209363401.db2.gz IRMGASUQRPGYPX-FQEVSTJZSA-N 2 0 341.499 2.350 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC000949188853 1209569055 /nfs/dbraw/zinc/56/90/55/1209569055.db2.gz BPSABNWGLCFSLG-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496270 1212114770 /nfs/dbraw/zinc/11/47/70/1212114770.db2.gz JFHCZOFLZHYNFY-WOGUSJMUSA-N 2 0 342.487 2.309 20 30 EEEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000303897807 1213922478 /nfs/dbraw/zinc/92/24/78/1213922478.db2.gz VDUKRVAMUXNKBH-AWEZNQCLSA-N 2 0 332.448 2.306 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])NC(C)(C)C)CC2)c1 ZINC000303898592 1213922887 /nfs/dbraw/zinc/92/28/87/1213922887.db2.gz RECJGIIWUKIZHN-UHFFFAOYSA-N 2 0 331.508 2.210 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550406 1215202726 /nfs/dbraw/zinc/20/27/26/1215202726.db2.gz ZGPJBESOLWTPQC-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000960318529 1216490861 /nfs/dbraw/zinc/49/08/61/1216490861.db2.gz QNJVBROOJHZZDL-WOJBJXKFSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961369623 1217161555 /nfs/dbraw/zinc/16/15/55/1217161555.db2.gz YKZGYAKIFMSGKT-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963801339 1218045672 /nfs/dbraw/zinc/04/56/72/1218045672.db2.gz RMNPZVOSOMBYHI-FKXCTXBZSA-N 2 0 331.504 2.454 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)CC[C@H]2C)CC1 ZINC000968682357 1221487580 /nfs/dbraw/zinc/48/75/80/1221487580.db2.gz QBFOYEIAKNNFRQ-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007493851 1222258826 /nfs/dbraw/zinc/25/88/26/1222258826.db2.gz VSYNZZZDCSVNTQ-JKSUJKDBSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001016337234 1226362204 /nfs/dbraw/zinc/36/22/04/1226362204.db2.gz QEGDISDWIFGSAQ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818079 1226901661 /nfs/dbraw/zinc/90/16/61/1226901661.db2.gz BHIAMOKWMODRDG-JXFKEZNVSA-N 2 0 349.494 2.193 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016984319 1227013856 /nfs/dbraw/zinc/01/38/56/1227013856.db2.gz YCAFTRXKLSBFSI-LJQANCHMSA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCC(C)CC2)CC1 ZINC001039042775 1230258915 /nfs/dbraw/zinc/25/89/15/1230258915.db2.gz WMWDRSOEAQPARD-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167605 1230391210 /nfs/dbraw/zinc/39/12/10/1230391210.db2.gz YHQQZSNVHXJPGN-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447794 1230615753 /nfs/dbraw/zinc/61/57/53/1230615753.db2.gz KFSSDJIXILHMEO-OTWHNJEPSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458266 1230624998 /nfs/dbraw/zinc/62/49/98/1230624998.db2.gz MXBSTMNWINWMEC-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040280419 1231149752 /nfs/dbraw/zinc/14/97/52/1231149752.db2.gz GXKUCDVCFQOXDF-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040901302 1231401041 /nfs/dbraw/zinc/40/10/41/1231401041.db2.gz JAXJNYOXNBZPSE-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001040911265 1231402749 /nfs/dbraw/zinc/40/27/49/1231402749.db2.gz XOYNMXIBWUBAKG-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C/C=C/Cl)[C@H]3C2)CC1 ZINC001042367591 1232049389 /nfs/dbraw/zinc/04/93/89/1232049389.db2.gz IICQWIFFDCKTIC-JWRCTZPZSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC001044872259 1233331488 /nfs/dbraw/zinc/33/14/88/1233331488.db2.gz OYKGASCNVYVLAF-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2C#N)CCC1 ZINC001045068762 1233482321 /nfs/dbraw/zinc/48/23/21/1233482321.db2.gz POCYKVSIQIMNII-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938475 1234193223 /nfs/dbraw/zinc/19/32/23/1234193223.db2.gz BYPWGMMEQPJGRG-QWFCFKBJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943525 1234202783 /nfs/dbraw/zinc/20/27/83/1234202783.db2.gz KGYONYOKEYXGFG-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949162 1234213586 /nfs/dbraw/zinc/21/35/86/1234213586.db2.gz ZBHOQJSOJBUZTE-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965633 1234244393 /nfs/dbraw/zinc/24/43/93/1234244393.db2.gz JTVLHEQPOXIFBN-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966676 1234246849 /nfs/dbraw/zinc/24/68/49/1234246849.db2.gz CGNYIQGQAMCDDQ-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900605913 1234553345 /nfs/dbraw/zinc/55/33/45/1234553345.db2.gz OOHIEUUSOOLEHV-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001047261886 1235769839 /nfs/dbraw/zinc/76/98/39/1235769839.db2.gz IYZDBVSHZPIFJK-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047265221 1235777455 /nfs/dbraw/zinc/77/74/55/1235777455.db2.gz GDLVRPHMZODQPO-IBGZPJMESA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@H](C#N)OCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000801926414 1236448117 /nfs/dbraw/zinc/44/81/17/1236448117.db2.gz QAWHWSUPCWILLY-QGZVFWFLSA-N 2 0 336.524 2.043 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819540 1238736335 /nfs/dbraw/zinc/73/63/35/1238736335.db2.gz UUKIFVOXUUOMFI-WCXIOVBPSA-N 2 0 337.895 2.004 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048845832 1238945273 /nfs/dbraw/zinc/94/52/73/1238945273.db2.gz NDBHQZJQVFBSBT-IYBDPMFKSA-N 2 0 333.501 2.390 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001000220049 1240074049 /nfs/dbraw/zinc/07/40/49/1240074049.db2.gz RFKXPUSAUSSMDA-CJNGLKHVSA-N 2 0 334.489 2.041 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC001000303984 1240151568 /nfs/dbraw/zinc/15/15/68/1240151568.db2.gz POOMFSGOOUAEKG-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524908 1241245284 /nfs/dbraw/zinc/24/52/84/1241245284.db2.gz OQHUJRMYYWPWLH-CEXWTWQISA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912749 1242672696 /nfs/dbraw/zinc/67/26/96/1242672696.db2.gz OILCLIBAFQIBKG-OALUTQOASA-N 2 0 325.456 2.060 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859846 1244699162 /nfs/dbraw/zinc/69/91/62/1244699162.db2.gz ZJNYASVGJDHGNF-AQNXPRMDSA-N 2 0 339.483 2.149 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087554 1245866259 /nfs/dbraw/zinc/86/62/59/1245866259.db2.gz MFKGIFZTYPUTKK-FUHWJXTLSA-N 2 0 328.460 2.069 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001101591907 1245999333 /nfs/dbraw/zinc/99/93/33/1245999333.db2.gz BXGWNWUVTZEQRO-NRFANRHFSA-N 2 0 345.531 2.350 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240212 1247835348 /nfs/dbraw/zinc/83/53/48/1247835348.db2.gz PMNKFTFGYJQMAX-QGZVFWFLSA-N 2 0 325.884 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)CN(CC=C)C3)CC1 ZINC001054292844 1248032833 /nfs/dbraw/zinc/03/28/33/1248032833.db2.gz WLXHGMKQVWYMKJ-UHFFFAOYSA-N 2 0 337.467 2.150 20 30 EEEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310536 1258073122 /nfs/dbraw/zinc/07/31/22/1258073122.db2.gz PAMGBKLPUAKWTE-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099519186 1258187876 /nfs/dbraw/zinc/18/78/76/1258187876.db2.gz FYKMNFSJKGXJTJ-MLHJIOFPSA-N 2 0 331.504 2.073 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598498 1279171945 /nfs/dbraw/zinc/17/19/45/1279171945.db2.gz TXCQMNLRTQNZRR-SFHVURJKSA-N 2 0 345.531 2.302 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001193571532 1282568577 /nfs/dbraw/zinc/56/85/77/1282568577.db2.gz SXNMSEYVHKXOTM-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198941716 1285433255 /nfs/dbraw/zinc/43/32/55/1285433255.db2.gz ZKSYPWHNPNNUGN-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=C(Br)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201322064 1289482444 /nfs/dbraw/zinc/48/24/44/1289482444.db2.gz ZBAQXBCFNRIRJL-UHFFFAOYSA-N 2 0 346.313 2.206 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001220600229 1298470001 /nfs/dbraw/zinc/47/00/01/1298470001.db2.gz FLUWJHHKGBGMQU-ZWKOTPCHSA-N 2 0 336.524 2.469 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372177 1299108335 /nfs/dbraw/zinc/10/83/35/1299108335.db2.gz LEHFNWXZKWAYTD-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521449 1299181080 /nfs/dbraw/zinc/18/10/80/1299181080.db2.gz RINTYYXTBIGHNK-FJIDUMEYSA-N 2 0 331.504 2.073 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001223495713 1300154867 /nfs/dbraw/zinc/15/48/67/1300154867.db2.gz WQUXNASZEXIXSS-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001102596541 1301270171 /nfs/dbraw/zinc/27/01/71/1301270171.db2.gz LXRFDLZAUBALOB-YKMDAGRBSA-N 2 0 345.531 2.372 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001227379520 1301804724 /nfs/dbraw/zinc/80/47/24/1301804724.db2.gz BBFHTVITCNAWFU-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230618876 1303326491 /nfs/dbraw/zinc/32/64/91/1303326491.db2.gz SFTUVDSCCNAVAO-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)Cc1cccnc1 ZINC001230931966 1303551706 /nfs/dbraw/zinc/55/17/06/1303551706.db2.gz JRBWWBHBGCMZAF-UHFFFAOYSA-N 2 0 332.492 2.306 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCCC)C3)CC1 ZINC001112003756 1304148289 /nfs/dbraw/zinc/14/82/89/1304148289.db2.gz BMASSZLHOIDLJW-FPOVZHCZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC=C)C3)CC1 ZINC001112004310 1304149119 /nfs/dbraw/zinc/14/91/19/1304149119.db2.gz VONMIYCJWHXMQY-FPOVZHCZSA-N 2 0 343.515 2.269 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768551 1305753085 /nfs/dbraw/zinc/75/30/85/1305753085.db2.gz BTRJUPGLAJMGBG-MSOLQXFVSA-N 2 0 331.504 2.435 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841794923 1315614074 /nfs/dbraw/zinc/61/40/74/1315614074.db2.gz SLVCYGDFZHBCIM-UHFFFAOYSA-N 2 0 330.476 2.028 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023958 1316130677 /nfs/dbraw/zinc/13/06/77/1316130677.db2.gz ZZKZGDKUTOVFAL-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001151312739 1316502816 /nfs/dbraw/zinc/50/28/16/1316502816.db2.gz UTZFGLWWXKLWIN-KRWDZBQOSA-N 2 0 339.524 2.280 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)cc1 ZINC001156525494 1318054057 /nfs/dbraw/zinc/05/40/57/1318054057.db2.gz RCPZTWDESMWBPA-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP N#Cc1c2c(cnc1-n1cc(CC[NH3+])c3cc(O)ccc31)C[NH2+]CCC2 ZINC001157215232 1318493160 /nfs/dbraw/zinc/49/31/60/1318493160.db2.gz LYOFZHNTIPYMJV-UHFFFAOYSA-N 2 0 347.422 2.140 20 30 EEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCN(c2ncccn2)CC1 ZINC001256055747 1318628430 /nfs/dbraw/zinc/62/84/30/1318628430.db2.gz FNAMKFPKPZMBHV-UHFFFAOYSA-N 2 0 338.459 2.112 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001161041835 1320364902 /nfs/dbraw/zinc/36/49/02/1320364902.db2.gz MSLYLSGTFOOTJC-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)(COC)CC1 ZINC001162320137 1320820192 /nfs/dbraw/zinc/82/01/92/1320820192.db2.gz HWRRYDTVBYPOII-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC(CC)CC)CC2)CC1 ZINC001203889145 1321983068 /nfs/dbraw/zinc/98/30/68/1321983068.db2.gz YENZDBXMKOVDSQ-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448541 1323139052 /nfs/dbraw/zinc/13/90/52/1323139052.db2.gz IJJRZVGMPZUNJP-ZWKOTPCHSA-N 2 0 333.451 2.238 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208330818 1324429866 /nfs/dbraw/zinc/42/98/66/1324429866.db2.gz GLHIZSFDYXYZDN-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001209314536 1324899253 /nfs/dbraw/zinc/89/92/53/1324899253.db2.gz JOVPCQWVIFUWQW-IBGZPJMESA-N 2 0 345.462 2.100 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209715461 1325019798 /nfs/dbraw/zinc/01/97/98/1325019798.db2.gz IOUHBDCLAUORNF-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)Cc2cccc(C#N)c2)C1 ZINC001492383662 1331203056 /nfs/dbraw/zinc/20/30/56/1331203056.db2.gz HFGRSIAVLUBIRA-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001339885859 1337090595 /nfs/dbraw/zinc/09/05/95/1337090595.db2.gz ZDUGGJFOIYBELF-UHFFFAOYSA-N 2 0 346.523 2.195 20 30 EEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001100497252 1338440046 /nfs/dbraw/zinc/44/00/46/1338440046.db2.gz IKYMRGGEFXUPAH-UHFFFAOYSA-N 2 0 339.443 2.332 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000111386430 1369345304 /nfs/dbraw/zinc/34/53/04/1369345304.db2.gz AVWQFVHGEAKTLB-SJLPKXTDSA-N 2 0 331.460 2.304 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001161213135 1372881315 /nfs/dbraw/zinc/88/13/15/1372881315.db2.gz GZPXQOPBDMZWGD-HXUWFJFHSA-N 2 0 349.494 2.361 20 30 EEEDRP N#Cc1ccc(S(=O)(=O)CCNCCC[NH+]2CCCCCC2)cc1 ZINC001356534618 1373201862 /nfs/dbraw/zinc/20/18/62/1373201862.db2.gz NSVDVFDEQNTGMB-UHFFFAOYSA-N 2 0 349.500 2.188 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001357572676 1373216493 /nfs/dbraw/zinc/21/64/93/1373216493.db2.gz JRXILPVHCPXHMV-OALUTQOASA-N 2 0 345.487 2.077 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001366400336 1373884054 /nfs/dbraw/zinc/88/40/54/1373884054.db2.gz IWZDACHXRGILIQ-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058849 1374090621 /nfs/dbraw/zinc/09/06/21/1374090621.db2.gz AUCMYGNKGVREGW-RTBURBONSA-N 2 0 342.487 2.177 20 30 EEEDRP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001369769107 1374638166 /nfs/dbraw/zinc/63/81/66/1374638166.db2.gz SDVBSSFXERQWGN-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001370549939 1374985921 /nfs/dbraw/zinc/98/59/21/1374985921.db2.gz UGOVLTBEFMBTIJ-IYARVYRRSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001371880398 1375664211 /nfs/dbraw/zinc/66/42/11/1375664211.db2.gz JKDKJSKXKFBKSB-QAPCUYQASA-N 2 0 330.476 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001375764871 1377982176 /nfs/dbraw/zinc/98/21/76/1377982176.db2.gz WSSHJKBFOUADLL-HNNXBMFYSA-N 2 0 345.834 2.214 20 30 EEEDRP CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001375775138 1377993086 /nfs/dbraw/zinc/99/30/86/1377993086.db2.gz KFVVPYPQEXRSQT-GOSISDBHSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001390626788 1388706117 /nfs/dbraw/zinc/70/61/17/1388706117.db2.gz OZADAOIIKLJXCK-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358822 1382085988 /nfs/dbraw/zinc/08/59/88/1382085988.db2.gz URIJCOMIVUPHLG-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001392733918 1390180792 /nfs/dbraw/zinc/18/07/92/1390180792.db2.gz ZRUDNRZPFWLBLW-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752836912 1406466279 /nfs/dbraw/zinc/46/62/79/1406466279.db2.gz PYVGBZMPXILRLS-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398196345 1391801391 /nfs/dbraw/zinc/80/13/91/1391801391.db2.gz CLZGBEFZBSQRRJ-GOEBONIOSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001752921201 1406549134 /nfs/dbraw/zinc/54/91/34/1406549134.db2.gz NSMDRUAQHQISRV-AZUAARDMSA-N 2 0 341.499 2.253 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001753874982 1406776149 /nfs/dbraw/zinc/77/61/49/1406776149.db2.gz CXOAYORWHKXADS-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001401265403 1397101230 /nfs/dbraw/zinc/10/12/30/1397101230.db2.gz GSWAWSZVTQYUKK-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001423680411 1400741667 /nfs/dbraw/zinc/74/16/67/1400741667.db2.gz AOMDBQQXKBOVPJ-CTWPCTMYSA-N 2 0 342.487 2.223 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001574850302 1403526464 /nfs/dbraw/zinc/52/64/64/1403526464.db2.gz WXRCLIJWFWXILR-RTBURBONSA-N 2 0 329.488 2.303 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC1(C)C ZINC001755761574 1407820938 /nfs/dbraw/zinc/82/09/38/1407820938.db2.gz KKMGAWFAADXHSS-LJQANCHMSA-N 2 0 341.499 2.011 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385033 760013910 /nfs/dbraw/zinc/01/39/10/760013910.db2.gz XFXQSLIKAZTAMG-GDBMZVCRSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001104795970 765302947 /nfs/dbraw/zinc/30/29/47/765302947.db2.gz BTXQSEUEWADGEE-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966799 782661872 /nfs/dbraw/zinc/66/18/72/782661872.db2.gz WBDWDINQJSYQLL-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088052992 782825128 /nfs/dbraw/zinc/82/51/28/782825128.db2.gz PQSWNKSIHHPYCI-QYZOEREBSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980179953 774011675 /nfs/dbraw/zinc/01/16/75/774011675.db2.gz UFMABIGHKCYHCL-BBWFWOEESA-N 2 0 339.911 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000980477111 774700704 /nfs/dbraw/zinc/70/07/04/774700704.db2.gz AJKKRLNRAVCJKY-LJQANCHMSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000939507844 776739776 /nfs/dbraw/zinc/73/97/76/776739776.db2.gz UTYFSJMLXUIUJD-SUMWQHHRSA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981193287 776763849 /nfs/dbraw/zinc/76/38/49/776763849.db2.gz GOASHQHVLSJBQF-GJZGRUSLSA-N 2 0 325.884 2.384 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981341200 777184746 /nfs/dbraw/zinc/18/47/46/777184746.db2.gz RBNGOGSHAVENQB-RTBURBONSA-N 2 0 327.472 2.055 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711852 779478110 /nfs/dbraw/zinc/47/81/10/779478110.db2.gz WTGZSVVATJRJMB-VQTJNVASSA-N 2 0 341.499 2.326 20 30 EEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333263 779752275 /nfs/dbraw/zinc/75/22/75/779752275.db2.gz YCFCGPNTZICDIO-YSIASYRMSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394296 781783148 /nfs/dbraw/zinc/78/31/48/781783148.db2.gz SRKNKHKKXTXRGF-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808290 783538957 /nfs/dbraw/zinc/53/89/57/783538957.db2.gz MQDVGPOAWUDVHN-QRVBRYPASA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001135373353 783663278 /nfs/dbraw/zinc/66/32/78/783663278.db2.gz VWKHEGTTYLXBQF-ZIAGYGMSSA-N 2 0 334.439 2.022 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)C(C)C ZINC001135478007 783869366 /nfs/dbraw/zinc/86/93/66/783869366.db2.gz SZHOXMNHSXVQPD-GOSISDBHSA-N 2 0 348.466 2.270 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184405 784020739 /nfs/dbraw/zinc/02/07/39/784020739.db2.gz JPXFZIJMMSONFK-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035260178 784215297 /nfs/dbraw/zinc/21/52/97/784215297.db2.gz RFKWDYSINPMCQQ-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857008 784637707 /nfs/dbraw/zinc/63/77/07/784637707.db2.gz AZSXDIXPXHLTJD-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035755477 785064099 /nfs/dbraw/zinc/06/40/99/785064099.db2.gz NLFXDUUNZWDJSB-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036307209 786217538 /nfs/dbraw/zinc/21/75/38/786217538.db2.gz ZHLZXNCYKUASSS-ZBFHGGJFSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424475 787198224 /nfs/dbraw/zinc/19/82/24/787198224.db2.gz PWOMSFQJGYXKHN-ZHALLVOQSA-N 2 0 337.483 2.050 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996711704 787235249 /nfs/dbraw/zinc/23/52/49/787235249.db2.gz KOROLKSJMWHHKV-CVEARBPZSA-N 2 0 325.884 2.336 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000996980634 788325418 /nfs/dbraw/zinc/32/54/18/788325418.db2.gz YWCAULVSGZHRKB-LJQANCHMSA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941773 789558575 /nfs/dbraw/zinc/55/85/75/789558575.db2.gz NFGOFVSMWPQAAW-IEBWSBKVSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089909105 789834342 /nfs/dbraw/zinc/83/43/42/789834342.db2.gz HZDKMCPNQTYOHH-NMLBUPMWSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590853 791360125 /nfs/dbraw/zinc/36/01/25/791360125.db2.gz CEMPJLRIXGALOY-HZPDHXFCSA-N 2 0 330.476 2.271 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595002 791366425 /nfs/dbraw/zinc/36/64/25/791366425.db2.gz WDBKYERTUJXSOI-UONOGXRCSA-N 2 0 336.505 2.333 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701854 791414905 /nfs/dbraw/zinc/41/49/05/791414905.db2.gz QXSYNYQMQYWNCJ-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611525 792558998 /nfs/dbraw/zinc/55/89/98/792558998.db2.gz BYSDDPTWPFMYTJ-SFHVURJKSA-N 2 0 327.472 2.400 20 30 EEEDRP C=C(Cl)CN1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156454 792953261 /nfs/dbraw/zinc/95/32/61/792953261.db2.gz WGCWGPJPZUTVSB-WBVHZDCISA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942515 793035380 /nfs/dbraw/zinc/03/53/80/793035380.db2.gz UHNSMLSFYYGGFP-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](CC)CC3)CC1 ZINC001086958040 793102677 /nfs/dbraw/zinc/10/26/77/793102677.db2.gz CAIUDSFQTZBYRD-QGZVFWFLSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186616 793122817 /nfs/dbraw/zinc/12/28/17/793122817.db2.gz GOWYRWMVPDAKLZ-NSISKUIASA-N 2 0 349.494 2.335 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@H]12 ZINC000992189182 793142874 /nfs/dbraw/zinc/14/28/74/793142874.db2.gz MKVDULQPCWHZKI-FFZOFVMBSA-N 2 0 349.494 2.335 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998899084 793537011 /nfs/dbraw/zinc/53/70/11/793537011.db2.gz QQAVCXKFIFCMCT-FHERZECASA-N 2 0 327.900 2.296 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675496 794223207 /nfs/dbraw/zinc/22/32/07/794223207.db2.gz IUHBLPRRDHQYSM-DJIMGWMZSA-N 2 0 341.927 2.401 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079154780 794415917 /nfs/dbraw/zinc/41/59/17/794415917.db2.gz VTDCNYXDIDOVIN-IPMKNSEASA-N 2 0 345.462 2.073 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907654 794426578 /nfs/dbraw/zinc/42/65/78/794426578.db2.gz WEMZCXYDZULZAW-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754943 794785268 /nfs/dbraw/zinc/78/52/68/794785268.db2.gz OGXCKMUQETZJQP-AEFFLSMTSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755154 794785946 /nfs/dbraw/zinc/78/59/46/794785946.db2.gz ROYBFQRVAPYMEW-VQIMIIECSA-N 2 0 336.439 2.202 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@H]21 ZINC001036774560 794922322 /nfs/dbraw/zinc/92/23/22/794922322.db2.gz HMPIXGFUBOJGBN-FUHWJXTLSA-N 2 0 342.487 2.261 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)CCO2 ZINC001093397531 795171861 /nfs/dbraw/zinc/17/18/61/795171861.db2.gz BWSDJAQENWAGGF-FDYSRKEFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841660 795423086 /nfs/dbraw/zinc/42/30/86/795423086.db2.gz BIHQQERADVXJNG-UXHICEINSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108023350 795626247 /nfs/dbraw/zinc/62/62/47/795626247.db2.gz ZXZLMESOKVNAHA-IBGZPJMESA-N 2 0 349.519 2.036 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)[NH+](C)C ZINC001093859065 795741776 /nfs/dbraw/zinc/74/17/76/795741776.db2.gz NJZYOLWTXDUAAG-ATZDWAIDSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001080998358 796548404 /nfs/dbraw/zinc/54/84/04/796548404.db2.gz YYMMFDVXLHHGQI-YLJYHZDGSA-N 2 0 343.515 2.269 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081095795 796628694 /nfs/dbraw/zinc/62/86/94/796628694.db2.gz USJGBBSNJVQKII-IPMKNSEASA-N 2 0 327.472 2.241 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081118782 796659222 /nfs/dbraw/zinc/65/92/22/796659222.db2.gz WHOGVYNJVZJWNF-RSPOEFSDSA-N 2 0 341.499 2.487 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081213559 796673694 /nfs/dbraw/zinc/67/36/94/796673694.db2.gz DOMLJMILCTXRFI-NZSAHSFTSA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993619637 796845320 /nfs/dbraw/zinc/84/53/20/796845320.db2.gz HIJXKAOSUMYRCK-QFBILLFUSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078749849 796924315 /nfs/dbraw/zinc/92/43/15/796924315.db2.gz QFHBTTJSXAHDGM-QZTJIDSGSA-N 2 0 325.456 2.012 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803355 797030132 /nfs/dbraw/zinc/03/01/32/797030132.db2.gz IUQOZABYFFRFBN-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC001001756036 797174632 /nfs/dbraw/zinc/17/46/32/797174632.db2.gz CPPUBTUDWNCMME-LJQANCHMSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262277 798059411 /nfs/dbraw/zinc/05/94/11/798059411.db2.gz FGRLTOLFAAQOEP-CRAIPNDOSA-N 2 0 325.472 2.097 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175315297 798072990 /nfs/dbraw/zinc/07/29/90/798072990.db2.gz DKEKNXZFYUUXCR-KGLIPLIRSA-N 2 0 348.329 2.500 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176844006 798580163 /nfs/dbraw/zinc/58/01/63/798580163.db2.gz DNIBMDDNSSZHKH-HOTGVXAUSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176844189 798584557 /nfs/dbraw/zinc/58/45/57/798584557.db2.gz FZBAHRUVRPTHCT-ZIAGYGMSSA-N 2 0 334.489 2.088 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176844260 798587867 /nfs/dbraw/zinc/58/78/67/798587867.db2.gz HNGMDKOCOHMMCT-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001179461582 799934822 /nfs/dbraw/zinc/93/48/22/799934822.db2.gz QYEOMTLKCBMDLA-UHFFFAOYSA-N 2 0 347.478 2.395 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204617 800308995 /nfs/dbraw/zinc/30/89/95/800308995.db2.gz VXBAAQWKGMFRAZ-LPHOPBHVSA-N 2 0 345.487 2.143 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639724 800950884 /nfs/dbraw/zinc/95/08/84/800950884.db2.gz UVWWWYCCFRMOOV-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589917 801259457 /nfs/dbraw/zinc/25/94/57/801259457.db2.gz KINHROHJCRHGKX-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183516972 801622793 /nfs/dbraw/zinc/62/27/93/801622793.db2.gz INUCLHGVACZWTQ-QWFCFKBJSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086277923 802658807 /nfs/dbraw/zinc/65/88/07/802658807.db2.gz AEFCXTKCBVCFSO-PUZFROQSSA-N 2 0 343.515 2.316 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086402093 802895708 /nfs/dbraw/zinc/89/57/08/802895708.db2.gz HQPFENOXYFWHCV-FHWLQOOXSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086425136 802938726 /nfs/dbraw/zinc/93/87/26/802938726.db2.gz HLMOTEMTIRNNTH-HDJSIYSDSA-N 2 0 345.834 2.118 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129417384 810832388 /nfs/dbraw/zinc/83/23/88/810832388.db2.gz MSUHGNPPHXRZQN-CQSZACIVSA-N 2 0 334.489 2.088 20 30 EEEDRP N#Cc1cncnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170523656 812217606 /nfs/dbraw/zinc/21/76/06/812217606.db2.gz APBDAQQTDYIJPK-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086659097 812428532 /nfs/dbraw/zinc/42/85/32/812428532.db2.gz KGTRKEPQPNGLTI-IPMKNSEASA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001436431201 1087803081 /nfs/dbraw/zinc/80/30/81/1087803081.db2.gz KEHUNZTXJPYWKE-CJNGLKHVSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)[NH+](C)C ZINC001440360043 1093521881 /nfs/dbraw/zinc/52/18/81/1093521881.db2.gz XIEMIJPIOOGNRD-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001449036716 1094050869 /nfs/dbraw/zinc/05/08/69/1094050869.db2.gz MJOMOOOQFGEKLS-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001444238229 1098800261 /nfs/dbraw/zinc/80/02/61/1098800261.db2.gz ZKAZCJVJKIZUQL-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccccc1C#N ZINC001495753475 1101532163 /nfs/dbraw/zinc/53/21/63/1101532163.db2.gz NPMFDJONQCPSAC-MRXNPFEDSA-N 2 0 342.487 2.132 20 30 EEEDRP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001508209724 1115445350 /nfs/dbraw/zinc/44/53/50/1115445350.db2.gz ZROKHNAAMUGDRS-LJQANCHMSA-N 2 0 340.471 2.147 20 30 EEEDRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccc(C#N)c2)CC[NH2+]CC1 ZINC000423098358 240363673 /nfs/dbraw/zinc/36/36/73/240363673.db2.gz KPGFUABDQFFBAB-HNNXBMFYSA-N 2 0 329.444 2.012 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000491717299 533162937 /nfs/dbraw/zinc/16/29/37/533162937.db2.gz WAMXTVUOMVPMPS-QGZVFWFLSA-N 2 0 327.472 2.148 20 30 EEEDRP N#Cc1ccc([C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601365 164348563 /nfs/dbraw/zinc/34/85/63/164348563.db2.gz XEMMDEJXNOWPGN-QUCCMNQESA-N 2 0 348.450 2.196 20 30 EEEDRP C=C[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000358301077 465045291 /nfs/dbraw/zinc/04/52/91/465045291.db2.gz OQNDUVJPHYFZFR-HUUCEWRRSA-N 2 0 339.505 2.142 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000050024263 462984063 /nfs/dbraw/zinc/98/40/63/462984063.db2.gz XCNGIMJRKZWVOY-SFHVURJKSA-N 2 0 343.471 2.268 20 30 EEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000185876266 463897734 /nfs/dbraw/zinc/89/77/34/463897734.db2.gz DLWPWZPXPPMNEN-GOSISDBHSA-N 2 0 343.519 2.152 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000277852377 463933593 /nfs/dbraw/zinc/93/35/93/463933593.db2.gz AHUJQFJYPWPCJU-UHFFFAOYSA-N 2 0 330.476 2.016 20 30 EEEDRP C[NH+]=C(NCC1(c2cccc(F)c2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262612841 464034969 /nfs/dbraw/zinc/03/49/69/464034969.db2.gz BAFBTLLMUKHOIN-GOSISDBHSA-N 2 0 342.462 2.379 20 30 EEEDRP C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262813158 464048205 /nfs/dbraw/zinc/04/82/05/464048205.db2.gz VTIXOPVYGCIMHV-SJORKVTESA-N 2 0 340.471 2.074 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC000264080687 464281144 /nfs/dbraw/zinc/28/11/44/464281144.db2.gz IINUIBMFKLFNEL-HNNXBMFYSA-N 2 0 336.480 2.084 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCC[NH+]2CCCCCC2)cc1OC ZINC000264095043 464282366 /nfs/dbraw/zinc/28/23/66/464282366.db2.gz MISWTVXNLHEEGT-UHFFFAOYSA-N 2 0 348.491 2.027 20 30 EEEDRP C[NH+]1CCN(Cc2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000264142266 464288443 /nfs/dbraw/zinc/28/84/43/464288443.db2.gz WWTNPJJTDYFLIF-UHFFFAOYSA-N 2 0 337.471 2.361 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895581 464375813 /nfs/dbraw/zinc/37/58/13/464375813.db2.gz VOXGJJMCQRYDNM-VQTJNVASSA-N 2 0 339.483 2.112 20 30 EEEDRP COCC[N@H+](C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285623624 464631605 /nfs/dbraw/zinc/63/16/05/464631605.db2.gz KXMXPOGGDDQHJT-UHFFFAOYSA-N 2 0 330.476 2.085 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658414 465463363 /nfs/dbraw/zinc/46/33/63/465463363.db2.gz HLAJFIPZFXGMHL-IEBWSBKVSA-N 2 0 348.535 2.469 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)C(C)C ZINC000344278296 465601355 /nfs/dbraw/zinc/60/13/55/465601355.db2.gz FVAFZHUYASELPD-FGTMMUONSA-N 2 0 336.524 2.467 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000371596258 465893616 /nfs/dbraw/zinc/89/36/16/465893616.db2.gz FUCBMHHOSFJCJO-KRWDZBQOSA-N 2 0 334.508 2.343 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369275205 466722817 /nfs/dbraw/zinc/72/28/17/466722817.db2.gz WMURCJAFNWMJKE-FUHWJXTLSA-N 2 0 342.487 2.236 20 30 EEEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424139064 466987712 /nfs/dbraw/zinc/98/77/12/466987712.db2.gz DVTPOTNFMROXJC-JFIYKMOQSA-N 2 0 342.487 2.280 20 30 EEEDRP Cn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000397579317 467442289 /nfs/dbraw/zinc/44/22/89/467442289.db2.gz DHGQJNVKJDLFCS-UHFFFAOYSA-N 2 0 338.455 2.013 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660598356 471409673 /nfs/dbraw/zinc/40/96/73/471409673.db2.gz XJKVOZAVKOCOCR-GOSISDBHSA-N 2 0 348.535 2.448 20 30 EEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174267590 529143597 /nfs/dbraw/zinc/14/35/97/529143597.db2.gz XJQZQNKUZWMFCH-UHFFFAOYSA-N 2 0 330.476 2.074 20 30 EEEDRP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000775344475 577435519 /nfs/dbraw/zinc/43/55/19/577435519.db2.gz IGRMLUATTALSDP-WOJBJXKFSA-N 2 0 328.456 2.432 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411598 577720800 /nfs/dbraw/zinc/72/08/00/577720800.db2.gz AQRKMFGDLPNTEX-RBUKOAKNSA-N 2 0 331.460 2.024 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156131 674643921 /nfs/dbraw/zinc/64/39/21/674643921.db2.gz KQWAKBRIWLLNPM-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832119 675236658 /nfs/dbraw/zinc/23/66/58/675236658.db2.gz DWKHIJLUENGQAQ-VQIMIIECSA-N 2 0 349.519 2.033 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020938210 675592709 /nfs/dbraw/zinc/59/27/09/675592709.db2.gz GTOMOIVCPBYHSM-QAQDUYKDSA-N 2 0 349.438 2.070 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021087814 675714741 /nfs/dbraw/zinc/71/47/41/675714741.db2.gz IAJBGCOKTHBHLV-ZNZJMJLKSA-N 2 0 340.471 2.168 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700007 676358893 /nfs/dbraw/zinc/35/88/93/676358893.db2.gz MDIYYOBLIBYRKG-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740983 676399740 /nfs/dbraw/zinc/39/97/40/676399740.db2.gz XVFPGAZSTOOCHI-PMACEKPBSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971703395 676747678 /nfs/dbraw/zinc/74/76/78/676747678.db2.gz GXOJOXQPDPSXRX-MSOLQXFVSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972401502 678686279 /nfs/dbraw/zinc/68/62/79/678686279.db2.gz CBXWLRJUKVYCKT-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262384859 679436659 /nfs/dbraw/zinc/43/66/59/679436659.db2.gz LDKFJVUPIOGLAH-RCCFBDPRSA-N 2 0 348.535 2.396 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001026901785 685274188 /nfs/dbraw/zinc/27/41/88/685274188.db2.gz UKGDVYICSRXCHV-YOEHRIQHSA-N 2 0 348.516 2.144 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982635020 681919639 /nfs/dbraw/zinc/91/96/39/681919639.db2.gz VDKNPYYKYWYCPM-LZQZEXGQSA-N 2 0 330.476 2.335 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818182 682282528 /nfs/dbraw/zinc/28/25/28/682282528.db2.gz LXYFIPUBPFGRJJ-SXLOBPIMSA-N 2 0 341.499 2.346 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984042777 684013761 /nfs/dbraw/zinc/01/37/61/684013761.db2.gz PKXSBNJUZOPDRJ-FHWLQOOXSA-N 2 0 340.471 2.027 20 30 EEEDRP C[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985791878 687703773 /nfs/dbraw/zinc/70/37/73/687703773.db2.gz IQBGUDREOUBXNW-UHFFFAOYSA-N 2 0 340.471 2.077 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001027545900 692845943 /nfs/dbraw/zinc/84/59/43/692845943.db2.gz IAZINQPHKYGLSA-FUHWJXTLSA-N 2 0 330.476 2.253 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)cnc4c3)CCC[C@H]12 ZINC000990712395 693276290 /nfs/dbraw/zinc/27/62/90/693276290.db2.gz NZRNBHFNBDVQAX-PXNSSMCTSA-N 2 0 336.439 2.393 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089380 1193362413 /nfs/dbraw/zinc/36/24/13/1193362413.db2.gz GYOSSMLIILIIGR-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089382 1193362501 /nfs/dbraw/zinc/36/25/01/1193362501.db2.gz GYOSSMLIILIIGR-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001105428727 1187033015 /nfs/dbraw/zinc/03/30/15/1187033015.db2.gz BIJBJQZRUZFTNI-SBHAEUEKSA-N 2 0 341.499 2.156 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001105435351 1187066478 /nfs/dbraw/zinc/06/64/78/1187066478.db2.gz KHZSGJOBNIIFRE-RVWIWJKTSA-N 2 0 341.499 2.320 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517398 1188134444 /nfs/dbraw/zinc/13/44/44/1188134444.db2.gz BNYCNWGURYYHLO-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604286 1189034759 /nfs/dbraw/zinc/03/47/59/1189034759.db2.gz VVVWTLPSIAIBEI-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP C=CCCCCC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272699702 1191781975 /nfs/dbraw/zinc/78/19/75/1191781975.db2.gz NAHONZXPPLSVMD-IBGZPJMESA-N 2 0 335.492 2.136 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417655 1194540555 /nfs/dbraw/zinc/54/05/55/1194540555.db2.gz WVOIUGCBGPCLMC-LPHOPBHVSA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)C1 ZINC001273143977 1197012557 /nfs/dbraw/zinc/01/25/57/1197012557.db2.gz NAEOVDFPRWJHQN-SFHVURJKSA-N 2 0 346.519 2.337 20 30 EEEDRP CCCCCCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021180 1199239788 /nfs/dbraw/zinc/23/97/88/1199239788.db2.gz UCLRMMXSSMKFSP-KRWDZBQOSA-N 2 0 327.513 2.164 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132887758 1200154590 /nfs/dbraw/zinc/15/45/90/1200154590.db2.gz HUWGTQIVSBZGRT-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCCC=C)C2)CC1 ZINC001133336554 1200760081 /nfs/dbraw/zinc/76/00/81/1200760081.db2.gz CGHJAAXZGHIMOK-QUCCMNQESA-N 2 0 345.531 2.372 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133359592 1200771644 /nfs/dbraw/zinc/77/16/44/1200771644.db2.gz IFFGWOBCRNQYSB-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129320036 1201783254 /nfs/dbraw/zinc/78/32/54/1201783254.db2.gz ZTDUKQBEHREQLZ-BXUZGUMPSA-N 2 0 335.521 2.440 20 30 EEEDRP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc2cncn21 ZINC001274110344 1204375956 /nfs/dbraw/zinc/37/59/56/1204375956.db2.gz HMZPFPRXENGRCV-QZTJIDSGSA-N 2 0 337.427 2.203 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001274890058 1205198524 /nfs/dbraw/zinc/19/85/24/1205198524.db2.gz BZLWRUCPLUIDIQ-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925644733 1206139393 /nfs/dbraw/zinc/13/93/93/1206139393.db2.gz LGXBFBHISJTETQ-NHXBNOBNSA-N 2 0 338.455 2.229 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000948565400 1209225462 /nfs/dbraw/zinc/22/54/62/1209225462.db2.gz FERYZCZAXOBTRU-HNNXBMFYSA-N 2 0 334.464 2.239 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948766786 1209360671 /nfs/dbraw/zinc/36/06/71/1209360671.db2.gz OBBJDXZOYPGTEA-QFBILLFUSA-N 2 0 337.483 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001006446467 1209813103 /nfs/dbraw/zinc/81/31/03/1209813103.db2.gz ZYHBLFVFWFAPAW-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCc2ccccc21 ZINC000245407375 1212360585 /nfs/dbraw/zinc/36/05/85/1212360585.db2.gz ASIUBBPNADWELX-DOTOQJQBSA-N 2 0 326.488 2.366 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)o1 ZINC000303895129 1213921944 /nfs/dbraw/zinc/92/19/44/1213921944.db2.gz SZFXDRWVUHVBKO-OAHLLOKOSA-N 2 0 327.432 2.230 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001412949503 1216145823 /nfs/dbraw/zinc/14/58/23/1216145823.db2.gz VGFVFQJCWYJLMI-MOPGFXCFSA-N 2 0 331.460 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC000960220620 1216432868 /nfs/dbraw/zinc/43/28/68/1216432868.db2.gz FWGWZPBBZVEJGZ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253611 1217112112 /nfs/dbraw/zinc/11/21/12/1217112112.db2.gz QYNAHFWOOYXZCT-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961434203 1217188605 /nfs/dbraw/zinc/18/86/05/1217188605.db2.gz ZCHAYYNCUPVZOP-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000963903009 1218114996 /nfs/dbraw/zinc/11/49/96/1218114996.db2.gz UTJFJABKKJYNOD-UHFFFAOYSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CC(C)C)C3)CC1 ZINC000965928594 1219367892 /nfs/dbraw/zinc/36/78/92/1219367892.db2.gz FECNGGDEAQILIG-UHFFFAOYSA-N 2 0 331.504 2.005 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001015981918 1225919818 /nfs/dbraw/zinc/91/98/18/1225919818.db2.gz GKASSQNVRZTJCB-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)[C@@H](CC)C2)CC1 ZINC001037984373 1220883512 /nfs/dbraw/zinc/88/35/12/1220883512.db2.gz RMLWJFLDBRQGDI-AZUAARDMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)c3)C2)CC1 ZINC001016336860 1226360469 /nfs/dbraw/zinc/36/04/69/1226360469.db2.gz NTWKOIFZPSISBZ-SFHVURJKSA-N 2 0 345.512 2.092 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016643255 1226719559 /nfs/dbraw/zinc/71/95/59/1226719559.db2.gz OUKGYOBYHCUTNT-HNNXBMFYSA-N 2 0 331.485 2.027 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754945 1226843855 /nfs/dbraw/zinc/84/38/55/1226843855.db2.gz SETWPUITJGDWGO-ROUUACIJSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228611 1230461581 /nfs/dbraw/zinc/46/15/81/1230461581.db2.gz GLUTZWYYNUEIDS-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234080 1230467442 /nfs/dbraw/zinc/46/74/42/1230467442.db2.gz IBZWWYQAOKHVEM-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040790236 1231369518 /nfs/dbraw/zinc/36/95/18/1231369518.db2.gz SIRVTTOPUNKSEM-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677992 1231647171 /nfs/dbraw/zinc/64/71/71/1231647171.db2.gz FGDASGGGOCKTIJ-VQTJNVASSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041680815 1231648438 /nfs/dbraw/zinc/64/84/38/1231648438.db2.gz VULHQLNXABRBKS-WOJBJXKFSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C/C=C/Cl)C3)C2)CC1 ZINC001041844556 1231728456 /nfs/dbraw/zinc/72/84/56/1231728456.db2.gz KZWFFBCNYZRATF-FOZGUINQSA-N 2 0 349.906 2.009 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042112468 1231897164 /nfs/dbraw/zinc/89/71/64/1231897164.db2.gz RJSCJKADZFXVKP-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044745634 1233230553 /nfs/dbraw/zinc/23/05/53/1233230553.db2.gz YBAUAAMVOXEHOT-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044797133 1233273711 /nfs/dbraw/zinc/27/37/11/1233273711.db2.gz PADHULIMQIXRLK-HOTGVXAUSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856967 1233319257 /nfs/dbraw/zinc/31/92/57/1233319257.db2.gz CSNLZENMDYJPRO-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001046849893 1235247178 /nfs/dbraw/zinc/24/71/78/1235247178.db2.gz LOBAKNQJEPXWPV-LJQANCHMSA-N 2 0 345.512 2.174 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968489 1235370446 /nfs/dbraw/zinc/37/04/46/1235370446.db2.gz HYLGGYADRHHEAC-MRXNPFEDSA-N 2 0 343.462 2.368 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240570 1235727305 /nfs/dbraw/zinc/72/73/05/1235727305.db2.gz GJRQHIIHXYGXDH-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047261340 1235768722 /nfs/dbraw/zinc/76/87/22/1235768722.db2.gz FCMZTJSECRNNEK-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525563 1237862624 /nfs/dbraw/zinc/86/26/24/1237862624.db2.gz XWFFQNXOIVJVIM-OMZCGLGVSA-N 2 0 343.515 2.243 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959379 1239577639 /nfs/dbraw/zinc/57/76/39/1239577639.db2.gz HFFUJKFKRULXPC-CEXWTWQISA-N 2 0 331.504 2.217 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114348 1240034819 /nfs/dbraw/zinc/03/48/19/1240034819.db2.gz FPGPZAOIZOJEES-KDURUIRLSA-N 2 0 327.472 2.328 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290765 1240136267 /nfs/dbraw/zinc/13/62/67/1240136267.db2.gz WDCHEOWEFSUCDH-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166374 1240167454 /nfs/dbraw/zinc/16/74/54/1240167454.db2.gz ZLBJIZSAOQRVMC-UEXGIBASSA-N 2 0 341.499 2.430 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H](C)CC)CC1 ZINC001049922260 1242719349 /nfs/dbraw/zinc/71/93/49/1242719349.db2.gz YMWCIOKNXFNDKW-SXLOBPIMSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C[C@@H](C)CC)C[C@H]32)CC1 ZINC001050208377 1243125104 /nfs/dbraw/zinc/12/51/04/1243125104.db2.gz JECPAQXRYATTJE-YSIASYRMSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517775 1243770695 /nfs/dbraw/zinc/77/06/95/1243770695.db2.gz FLJFPMVJOARGIT-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027113 1245703699 /nfs/dbraw/zinc/70/36/99/1245703699.db2.gz AFHNEQRVUZWQEM-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051456 1245775713 /nfs/dbraw/zinc/77/57/13/1245775713.db2.gz OUDCJKGYWDREKB-ROUUACIJSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096417 1245892921 /nfs/dbraw/zinc/89/29/21/1245892921.db2.gz SXHKQGGSTQFBEC-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101589194 1245994584 /nfs/dbraw/zinc/99/45/84/1245994584.db2.gz BZLKYWGENLPDMO-QGZVFWFLSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101590210 1245997278 /nfs/dbraw/zinc/99/72/78/1245997278.db2.gz DQOWWNJFJJUPQY-KRWDZBQOSA-N 2 0 333.520 2.206 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253438 1246775772 /nfs/dbraw/zinc/77/57/72/1246775772.db2.gz DIJZUQZVFNBZFZ-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551577 1247541481 /nfs/dbraw/zinc/54/14/81/1247541481.db2.gz FVRZEUWLLICYTJ-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCCF)C3)C2)CC1 ZINC001054245291 1247862565 /nfs/dbraw/zinc/86/25/65/1247862565.db2.gz QRYBSFZMKDBHJJ-HXUWFJFHSA-N 2 0 349.494 2.006 20 30 EEEDRP C=CCOCC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229448 1285042733 /nfs/dbraw/zinc/04/27/33/1285042733.db2.gz IMYFLQBCAQDPMM-UHFFFAOYSA-N 2 0 345.487 2.099 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198760451 1285347558 /nfs/dbraw/zinc/34/75/58/1285347558.db2.gz WXDHROVKAFRKLB-HKUYNNGSSA-N 2 0 345.487 2.358 20 30 EEEDRP C=CCC[NH2+]C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001201563257 1289668582 /nfs/dbraw/zinc/66/85/82/1289668582.db2.gz INIYIAFRONYVTN-UHFFFAOYSA-N 2 0 325.416 2.038 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001202217155 1289943277 /nfs/dbraw/zinc/94/32/77/1289943277.db2.gz KTOIYJDBMDLUJO-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001202496794 1293718672 /nfs/dbraw/zinc/71/86/72/1293718672.db2.gz YSBOXIKUHCLHDO-SFHVURJKSA-N 2 0 339.483 2.103 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001202496793 1293718772 /nfs/dbraw/zinc/71/87/72/1293718772.db2.gz YSBOXIKUHCLHDO-GOSISDBHSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC(C)C)C2)CC1 ZINC001072095699 1295237343 /nfs/dbraw/zinc/23/73/43/1295237343.db2.gz MXGQQJYSDQLOKS-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001219271718 1297969485 /nfs/dbraw/zinc/96/94/85/1297969485.db2.gz VSUWRHLPGSIUDA-IBGZPJMESA-N 2 0 334.423 2.491 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020223 1298223252 /nfs/dbraw/zinc/22/32/52/1298223252.db2.gz BCGDIOKTJRXMRD-SFHVURJKSA-N 2 0 345.487 2.207 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548497 1299209615 /nfs/dbraw/zinc/20/96/15/1299209615.db2.gz WLAZITCKHFITIC-MANSERQUSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCC)CC1 ZINC001223495111 1300154380 /nfs/dbraw/zinc/15/43/80/1300154380.db2.gz JHWUCSQEWRSKKE-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]21 ZINC001223690806 1300228362 /nfs/dbraw/zinc/22/83/62/1300228362.db2.gz LKIPPLZBDDISJM-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108348 1300321569 /nfs/dbraw/zinc/32/15/69/1300321569.db2.gz IKJOUIQXIMPYCC-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001225228492 1300935320 /nfs/dbraw/zinc/93/53/20/1300935320.db2.gz MLAGYXLYXGLTHF-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001102377898 1300958093 /nfs/dbraw/zinc/95/80/93/1300958093.db2.gz ITMNZXTUKCNNBX-LZQZEXGQSA-N 2 0 342.487 2.083 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082171 1302184695 /nfs/dbraw/zinc/18/46/95/1302184695.db2.gz GNFXMATWZLNYRE-GUDVDZBRSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086414 1302192825 /nfs/dbraw/zinc/19/28/25/1302192825.db2.gz AVOURSOAWZZODQ-DAXOMENPSA-N 2 0 327.900 2.153 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210934 1303650233 /nfs/dbraw/zinc/65/02/33/1303650233.db2.gz JQHBYZUDRHRWFG-DTZQCDIJSA-N 2 0 327.900 2.153 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592168 1305465838 /nfs/dbraw/zinc/46/58/38/1305465838.db2.gz WYRAZAARLRTYGR-ROUUACIJSA-N 2 0 331.504 2.435 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401642 1309511560 /nfs/dbraw/zinc/51/15/60/1309511560.db2.gz KQAKQVDEUPZMGN-ZWKOTPCHSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246304511 1310277085 /nfs/dbraw/zinc/27/70/85/1310277085.db2.gz NHQRALOETMIGGC-YVSFHVDLSA-N 2 0 325.497 2.112 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246340506 1310283947 /nfs/dbraw/zinc/28/39/47/1310283947.db2.gz FRKQZFSWUWSUSE-SJORKVTESA-N 2 0 332.879 2.195 20 30 EEEDRP C[C@@]1([NH3+])CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001246556341 1310340296 /nfs/dbraw/zinc/34/02/96/1310340296.db2.gz YXBNWTNBEVYDQY-HXUWFJFHSA-N 2 0 340.471 2.366 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246642950 1310367575 /nfs/dbraw/zinc/36/75/75/1310367575.db2.gz NMJRNXFWLZFEGD-MHJFOBGBSA-N 2 0 342.462 2.167 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929461 1314737900 /nfs/dbraw/zinc/73/79/00/1314737900.db2.gz NDXMEAXQVDUVFZ-IAGOWNOFSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150780049 1316371768 /nfs/dbraw/zinc/37/17/68/1316371768.db2.gz YOCRUIGZYUYYBP-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001151327268 1316505028 /nfs/dbraw/zinc/50/50/28/1316505028.db2.gz VFOAZZKFKMEOAP-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP N#Cc1cc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)ccc1F ZINC001151362525 1316513152 /nfs/dbraw/zinc/51/31/52/1316513152.db2.gz YNYUEDOPZBOOSW-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001153801924 1316886510 /nfs/dbraw/zinc/88/65/10/1316886510.db2.gz BWNUIORFZLFKRX-SJLPKXTDSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255208 1317524592 /nfs/dbraw/zinc/52/45/92/1317524592.db2.gz MVXMVOKECKLNLE-DLBZAZTESA-N 2 0 342.487 2.227 20 30 EEEDRP N#Cc1ccnc(N2CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256861384 1318878433 /nfs/dbraw/zinc/87/84/33/1318878433.db2.gz LQZUWEFNNKODGL-UHFFFAOYSA-N 2 0 348.454 2.139 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001158405196 1319223451 /nfs/dbraw/zinc/22/34/51/1319223451.db2.gz NYTRZASRMXQCDE-IEBWSBKVSA-N 2 0 342.487 2.090 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131248 1320078283 /nfs/dbraw/zinc/07/82/83/1320078283.db2.gz IKEFZZLWYNHLNJ-RBUKOAKNSA-N 2 0 329.488 2.023 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001160267694 1320117487 /nfs/dbraw/zinc/11/74/87/1320117487.db2.gz QJQPOCOAIDYSDS-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001161220135 1320423857 /nfs/dbraw/zinc/42/38/57/1320423857.db2.gz VXDBCLGHGKAZMD-UHFFFAOYSA-N 2 0 339.483 2.176 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446041 1320504210 /nfs/dbraw/zinc/50/42/10/1320504210.db2.gz VUONJUFNWRANIK-RTBURBONSA-N 2 0 329.488 2.165 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)(COC)CC1 ZINC001162343454 1320831393 /nfs/dbraw/zinc/83/13/93/1320831393.db2.gz LRRGKBWUBFOSSH-UHFFFAOYSA-N 2 0 349.519 2.036 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)(COC)CC1 ZINC001162581269 1320903812 /nfs/dbraw/zinc/90/38/12/1320903812.db2.gz CXBWHKMEHYHQLY-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001163466225 1321133282 /nfs/dbraw/zinc/13/32/82/1321133282.db2.gz NFBAMCBOCDIZEG-UHFFFAOYSA-N 2 0 348.454 2.478 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203904352 1321986840 /nfs/dbraw/zinc/98/68/40/1321986840.db2.gz SSDYMZYERMADKB-UHFFFAOYSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001263121470 1322435818 /nfs/dbraw/zinc/43/58/18/1322435818.db2.gz XMGWTFINMNOHCR-QAPCUYQASA-N 2 0 330.476 2.407 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420045 1323123564 /nfs/dbraw/zinc/12/35/64/1323123564.db2.gz AZAFKODCZUXUHF-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205452885 1323142871 /nfs/dbraw/zinc/14/28/71/1323142871.db2.gz WNTSCVNFYDILTL-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208187849 1324349293 /nfs/dbraw/zinc/34/92/93/1324349293.db2.gz PIEOPAJFUFCCSR-UHFFFAOYSA-N 2 0 348.579 2.400 20 30 EEEDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1C#N ZINC001276608037 1324762044 /nfs/dbraw/zinc/76/20/44/1324762044.db2.gz JKJFEJAEXQQWFS-UHFFFAOYSA-N 2 0 338.459 2.108 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891403 1330291963 /nfs/dbraw/zinc/29/19/63/1330291963.db2.gz KBPNXFFBLDTJPM-MOPGFXCFSA-N 2 0 342.487 2.417 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100460057 1338396642 /nfs/dbraw/zinc/39/66/42/1338396642.db2.gz NKFKGHIYLATOLM-UHFFFAOYSA-N 2 0 342.487 2.273 20 30 EEEDRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001579530164 1344393141 /nfs/dbraw/zinc/39/31/41/1344393141.db2.gz RBQKVKFZCMXXAB-JXFKEZNVSA-N 2 0 337.471 2.385 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201267429 1368800193 /nfs/dbraw/zinc/80/01/93/1368800193.db2.gz OBBQLLQZRDOINH-FQEVSTJZSA-N 2 0 339.483 2.103 20 30 EEEDRP Cc1nc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C#N)cc1C#N ZINC001201655712 1368828721 /nfs/dbraw/zinc/82/87/21/1368828721.db2.gz QRLCWANJASOLDV-UHFFFAOYSA-N 2 0 333.399 2.024 20 30 EEEDRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC001202225122 1368900024 /nfs/dbraw/zinc/90/00/24/1368900024.db2.gz QZXKWQVXVALSDB-UHFFFAOYSA-N 2 0 346.500 2.042 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001122005649 1371940147 /nfs/dbraw/zinc/94/01/47/1371940147.db2.gz QPKPRAZJKOWQSK-QZTJIDSGSA-N 2 0 339.524 2.245 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122064175 1371943097 /nfs/dbraw/zinc/94/30/97/1371943097.db2.gz VFLKGHXXMDXRGI-VCMYPUNYSA-N 2 0 331.504 2.147 20 30 EEEDRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001367147943 1374106402 /nfs/dbraw/zinc/10/64/02/1374106402.db2.gz FSRZRWSVOXFQQB-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001367837771 1374280971 /nfs/dbraw/zinc/28/09/71/1374280971.db2.gz UQMZNCZZQWXUEA-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001370783992 1375033137 /nfs/dbraw/zinc/03/31/37/1375033137.db2.gz ZDJRAYFDOXAXIO-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690428 1375583147 /nfs/dbraw/zinc/58/31/47/1375583147.db2.gz NSVPOHZXRUCGPU-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001375892756 1378115997 /nfs/dbraw/zinc/11/59/97/1378115997.db2.gz ASQOQWUKGIYDJF-AZUAARDMSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001377002863 1378911462 /nfs/dbraw/zinc/91/14/62/1378911462.db2.gz XLWRUMNNIWFPRT-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001378371003 1379893095 /nfs/dbraw/zinc/89/30/95/1379893095.db2.gz JORIEJSQJMOJQH-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001381234504 1381571431 /nfs/dbraw/zinc/57/14/31/1381571431.db2.gz TUNKOPVMMUWZHX-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001752788088 1406407958 /nfs/dbraw/zinc/40/79/58/1406407958.db2.gz AUZLWOCATMPXPS-HXUWFJFHSA-N 2 0 341.499 2.208 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752801604 1406422446 /nfs/dbraw/zinc/42/24/46/1406422446.db2.gz PULVHPHSNGMRGS-KRWDZBQOSA-N 2 0 333.520 2.491 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001393544897 1390466281 /nfs/dbraw/zinc/46/62/81/1390466281.db2.gz GYSDHUVLAKQNPJ-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001394490839 1390712421 /nfs/dbraw/zinc/71/24/21/1390712421.db2.gz UFNHTJVKMMKAOV-KDOFPFPSSA-N 2 0 348.466 2.220 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752834158 1406461688 /nfs/dbraw/zinc/46/16/88/1406461688.db2.gz ORADHAWEKJVHJB-QZTJIDSGSA-N 2 0 333.520 2.443 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001402492280 1398020333 /nfs/dbraw/zinc/02/03/33/1398020333.db2.gz JGSHKLGKGURZPY-BQFCYCMXSA-N 2 0 346.450 2.020 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001402992527 1398308690 /nfs/dbraw/zinc/30/86/90/1398308690.db2.gz CSXZHTJRKVBOFS-ZDUSSCGKSA-N 2 0 336.505 2.192 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001755055780 1407063287 /nfs/dbraw/zinc/06/32/87/1407063287.db2.gz OEZWPIMNCXZTAX-IAGOWNOFSA-N 2 0 349.519 2.033 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)s1)C(=O)C1(C[NH+](C)C)CC1 ZINC001424299752 1401035817 /nfs/dbraw/zinc/03/58/17/1401035817.db2.gz JEQDPUNZMYNICC-UHFFFAOYSA-N 2 0 348.516 2.242 20 30 EEEDRP COc1cc(C#N)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579139008 1403778645 /nfs/dbraw/zinc/77/86/45/1403778645.db2.gz GTTUVTLKHLCHNK-IEBWSBKVSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755360158 1407358236 /nfs/dbraw/zinc/35/82/36/1407358236.db2.gz SEPMSAFAJZYQMS-QFBILLFUSA-N 2 0 339.499 2.487 20 30 EEEDRP C=C(Br)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725396217 1405790468 /nfs/dbraw/zinc/79/04/68/1405790468.db2.gz SYEXKZMBNGPOFZ-KBPBESRZSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC/C=C\CC)C2 ZINC001755456035 1407480278 /nfs/dbraw/zinc/48/02/78/1407480278.db2.gz HRRJYDRVRJFTEQ-VOFKWLDRSA-N 2 0 343.515 2.365 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232659 1410218212 /nfs/dbraw/zinc/21/82/12/1410218212.db2.gz HJUQHSWXEHINIF-UFQJCFOOSA-N 2 0 331.504 2.005 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210613834 758071140 /nfs/dbraw/zinc/07/11/40/758071140.db2.gz BVKAGDMSHFCUPA-AZUAARDMSA-N 2 0 327.472 2.067 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972080 782671936 /nfs/dbraw/zinc/67/19/36/782671936.db2.gz KLUIHVGOUHZDOE-LTIDMASMSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527327 770116473 /nfs/dbraw/zinc/11/64/73/770116473.db2.gz NLMGTZOABGUFNU-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089564865 770422053 /nfs/dbraw/zinc/42/20/53/770422053.db2.gz KGAPEHCMQIVDOP-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089868544 782932061 /nfs/dbraw/zinc/93/20/61/782932061.db2.gz DCCHGZCDANIEIJ-NMLBUPMWSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142228 782970438 /nfs/dbraw/zinc/97/04/38/782970438.db2.gz YOYJHIPGTSOLBZ-MOPGFXCFSA-N 2 0 327.472 2.328 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220277 774134236 /nfs/dbraw/zinc/13/42/36/774134236.db2.gz ZBOPNKNEBYHGBL-BBWFWOEESA-N 2 0 340.471 2.001 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212282339 774758794 /nfs/dbraw/zinc/75/87/94/774758794.db2.gz PUBUWCWDMQBRQE-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027944004 774779603 /nfs/dbraw/zinc/77/96/03/774779603.db2.gz RSBRYSNOMYSREN-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001089824052 777046915 /nfs/dbraw/zinc/04/69/15/777046915.db2.gz IVEOYVNKADZUHX-VJANTYMQSA-N 2 0 343.515 2.217 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163417 779183476 /nfs/dbraw/zinc/18/34/76/779183476.db2.gz ARNLMLIGCARKSJ-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296086 779606378 /nfs/dbraw/zinc/60/63/78/779606378.db2.gz JLJWBNSCMWQZOA-YSIASYRMSA-N 2 0 331.504 2.053 20 30 EEEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236893027 779967751 /nfs/dbraw/zinc/96/77/51/779967751.db2.gz LWSSXMXUNKEUQZ-GOSISDBHSA-N 2 0 344.503 2.485 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343543 780836914 /nfs/dbraw/zinc/83/69/14/780836914.db2.gz PHRDRVNAEYOVQM-MRXNPFEDSA-N 2 0 331.460 2.339 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001135308275 783569315 /nfs/dbraw/zinc/56/93/15/783569315.db2.gz QQUOOUSUVKRCOR-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001135389615 783708887 /nfs/dbraw/zinc/70/88/87/783708887.db2.gz BEGRGNUJNIWMAL-UONOGXRCSA-N 2 0 348.516 2.334 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001135390174 783710460 /nfs/dbraw/zinc/71/04/60/783710460.db2.gz HWEVUHQSJURICO-HOTGVXAUSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233509 784145219 /nfs/dbraw/zinc/14/52/19/784145219.db2.gz GAHZLOPVGZQHFX-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976829 784926686 /nfs/dbraw/zinc/92/66/86/784926686.db2.gz OEYPMJOFEQCANC-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977784 784928661 /nfs/dbraw/zinc/92/86/61/784928661.db2.gz ZAQXDYSIGKMOGQ-ZWKOTPCHSA-N 2 0 329.488 2.253 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035772593 785152695 /nfs/dbraw/zinc/15/26/95/785152695.db2.gz GPQJGMDBSUHGTJ-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995993439 785912339 /nfs/dbraw/zinc/91/23/39/785912339.db2.gz AXFRDUNQSHDJBX-AWEZNQCLSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646870 787998245 /nfs/dbraw/zinc/99/82/45/787998245.db2.gz ZLQXYONJILKBON-SFHLNBCPSA-N 2 0 345.531 2.491 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1)[NH+](C)C ZINC000997009866 788457418 /nfs/dbraw/zinc/45/74/18/788457418.db2.gz OYFDHDSWVKGGPJ-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997093794 788775488 /nfs/dbraw/zinc/77/54/88/788775488.db2.gz OEEYAYHBIKPZAG-JKSUJKDBSA-N 2 0 325.884 2.336 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(C)C)C[C@H]3CC2)CC1 ZINC000946902697 789585124 /nfs/dbraw/zinc/58/51/24/789585124.db2.gz VYNMFFSLFFROJV-BGYRXZFFSA-N 2 0 345.531 2.158 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001171215831 790074401 /nfs/dbraw/zinc/07/44/01/790074401.db2.gz CYNAFHPNSJLHQH-QGZVFWFLSA-N 2 0 347.890 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F)CC1 ZINC001146611632 791374632 /nfs/dbraw/zinc/37/46/32/791374632.db2.gz NDGIEINPTGLCFE-KBPBESRZSA-N 2 0 347.425 2.157 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF)CC1 ZINC001146613924 791377066 /nfs/dbraw/zinc/37/70/66/791377066.db2.gz VLWKKPDSULBBRC-IAGOWNOFSA-N 2 0 339.499 2.344 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998118918 791998433 /nfs/dbraw/zinc/99/84/33/791998433.db2.gz YIAIPPQSJBQNCU-HOTGVXAUSA-N 2 0 328.460 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC001089059365 792020798 /nfs/dbraw/zinc/02/07/98/792020798.db2.gz JGSLXYHWPXOJLK-APWZRJJASA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000998184948 792161702 /nfs/dbraw/zinc/16/17/02/792161702.db2.gz BKVZNXHPKGESRP-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479198 792447040 /nfs/dbraw/zinc/44/70/40/792447040.db2.gz PGJMNHAWNITGIA-FQEVSTJZSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089928657 792575262 /nfs/dbraw/zinc/57/52/62/792575262.db2.gz LLRYFQDNQYVBQX-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925166 792998596 /nfs/dbraw/zinc/99/85/96/792998596.db2.gz MZRDYDUBMCSARR-OKZBNKHCSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939108 793026209 /nfs/dbraw/zinc/02/62/09/793026209.db2.gz ILMONWTWTDGWIJ-KSZLIROESA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951162 793082167 /nfs/dbraw/zinc/08/21/67/793082167.db2.gz WISRSUSPRSHYOL-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](CCC)CC3)CC1 ZINC001086958497 793105358 /nfs/dbraw/zinc/10/53/58/793105358.db2.gz SRAUPBVWQMDOLH-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943941 793449097 /nfs/dbraw/zinc/44/90/97/793449097.db2.gz KYWXWFKRBAKARX-GGPKGHCWSA-N 2 0 333.520 2.465 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999405207 794418771 /nfs/dbraw/zinc/41/87/71/794418771.db2.gz CZYJTRJYVYUHIC-NFOMZHRRSA-N 2 0 346.500 2.183 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079206137 794455980 /nfs/dbraw/zinc/45/59/80/794455980.db2.gz YIOXUGGBDZWKRC-AYOQOUSVSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC000992515593 794472419 /nfs/dbraw/zinc/47/24/19/794472419.db2.gz ZEXGNIFBFFPLNY-TZIWHRDSSA-N 2 0 343.515 2.411 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515866 794571207 /nfs/dbraw/zinc/57/12/07/794571207.db2.gz ZRBQVODTJROESL-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1CC)CCO2 ZINC001093413058 795154886 /nfs/dbraw/zinc/15/48/86/795154886.db2.gz IKABFUKMFVQRDD-FDYSRKEFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249276 795288212 /nfs/dbraw/zinc/28/82/12/795288212.db2.gz FMXVQVFSDUUZNH-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001093541972 795351926 /nfs/dbraw/zinc/35/19/26/795351926.db2.gz CTYKAWRBMDSAIQ-UHFFFAOYSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106472210 795663578 /nfs/dbraw/zinc/66/35/78/795663578.db2.gz SNDKTDZTTOIAER-KBRIMQKVSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106667024 796074088 /nfs/dbraw/zinc/07/40/88/796074088.db2.gz FHAPVBUHLSOOOE-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CCC3)C2)CC1 ZINC001036903147 796441726 /nfs/dbraw/zinc/44/17/26/796441726.db2.gz WPBWUCVCZLFSRB-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CCCCC2)CC1 ZINC001032801957 796465384 /nfs/dbraw/zinc/46/53/84/796465384.db2.gz NINXSVDUZLEUBB-PMACEKPBSA-N 2 0 341.499 2.117 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161533 796537881 /nfs/dbraw/zinc/53/78/81/796537881.db2.gz IIAZBJNDZFRYNM-YDZRNGNQSA-N 2 0 349.519 2.031 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081028349 796553391 /nfs/dbraw/zinc/55/33/91/796553391.db2.gz DGJMMPUGLLYAMX-NVXWUHKLSA-N 2 0 331.460 2.195 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125910 796670120 /nfs/dbraw/zinc/67/01/20/796670120.db2.gz WIMGTHLNFUCZNH-OTWHNJEPSA-N 2 0 327.472 2.097 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667294 796821741 /nfs/dbraw/zinc/82/17/41/796821741.db2.gz BCOGCQQZZGXCFV-GJZGRUSLSA-N 2 0 337.895 2.384 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993619640 796845649 /nfs/dbraw/zinc/84/56/49/796845649.db2.gz HIJXKAOSUMYRCK-VQIMIIECSA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799573 796912286 /nfs/dbraw/zinc/91/22/86/796912286.db2.gz VWFMWMLTDKPQJV-KZNAEPCWSA-N 2 0 337.508 2.031 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078785314 797008943 /nfs/dbraw/zinc/00/89/43/797008943.db2.gz BIZLQLJPBFVFET-IAGOWNOFSA-N 2 0 328.460 2.354 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001094966898 797137012 /nfs/dbraw/zinc/13/70/12/797137012.db2.gz FDXXPYNYHCOIIB-WDSOQIARSA-N 2 0 339.483 2.007 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC000994141829 797356691 /nfs/dbraw/zinc/35/66/91/797356691.db2.gz ADWHJGYFSJOBDY-VQIMIIECSA-N 2 0 336.439 2.478 20 30 EEEDRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425616 797446556 /nfs/dbraw/zinc/44/65/56/797446556.db2.gz FRDNMGPZWYCTLE-UHFFFAOYSA-N 2 0 342.487 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC001031435146 798403597 /nfs/dbraw/zinc/40/35/97/798403597.db2.gz QWGDDMVVRKCQLL-ZWKOTPCHSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176601071 798516162 /nfs/dbraw/zinc/51/61/62/798516162.db2.gz RXCRUHWLVSQCBF-MSOLQXFVSA-N 2 0 339.524 2.186 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001176926081 798630134 /nfs/dbraw/zinc/63/01/34/798630134.db2.gz FVYQXNZPIZCWNK-INIZCTEOSA-N 2 0 345.462 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001176930665 798634141 /nfs/dbraw/zinc/63/41/41/798634141.db2.gz PKMSBLQCOGTQAJ-INIZCTEOSA-N 2 0 345.462 2.328 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181729173 800882208 /nfs/dbraw/zinc/88/22/08/800882208.db2.gz XDRYICMDORCVNO-SLYNCCJLSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001184171813 801899737 /nfs/dbraw/zinc/89/97/37/801899737.db2.gz QRVLUYCXWDQKQE-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086119354 802216607 /nfs/dbraw/zinc/21/66/07/802216607.db2.gz KPGCEONHOMRXFX-FZKCQIBNSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638702 802529806 /nfs/dbraw/zinc/52/98/06/802529806.db2.gz ZGJRSFCPLLIWDP-HDICACEKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108258015 802598563 /nfs/dbraw/zinc/59/85/63/802598563.db2.gz OVJXYZSDOSSBJT-IEBWSBKVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128551895 802959775 /nfs/dbraw/zinc/95/97/75/802959775.db2.gz HQQTTZHCRYRQCA-UHFFFAOYSA-N 2 0 346.294 2.038 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cnc(C)n4C3)CC[C@@H]2C1 ZINC000946740036 802967711 /nfs/dbraw/zinc/96/77/11/802967711.db2.gz MTLPJALBTCKVKE-KSZLIROESA-N 2 0 342.487 2.110 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001108716144 804385150 /nfs/dbraw/zinc/38/51/50/804385150.db2.gz JBAPNXQOUZGTLY-JZXOWHBKSA-N 2 0 328.460 2.063 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472717 805525450 /nfs/dbraw/zinc/52/54/50/805525450.db2.gz ATCDBCUDDQNTAP-SQNIBIBYSA-N 2 0 331.504 2.384 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001131666841 813096045 /nfs/dbraw/zinc/09/60/45/813096045.db2.gz SZCXUEUTILUCFP-IEBWSBKVSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438340422 1090817007 /nfs/dbraw/zinc/81/70/07/1090817007.db2.gz FBQVXRGPWUDEGO-MRXNPFEDSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001438459701 1090968943 /nfs/dbraw/zinc/96/89/43/1090968943.db2.gz XNMFPZHWHMQHIG-UHFFFAOYSA-N 2 0 327.900 2.442 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653202 1093924244 /nfs/dbraw/zinc/92/42/44/1093924244.db2.gz YRQKAVCJTBIIDQ-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001440739907 1093988450 /nfs/dbraw/zinc/98/84/50/1093988450.db2.gz UJCXTOVREUMTBZ-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001446950191 1101644794 /nfs/dbraw/zinc/64/47/94/1101644794.db2.gz UMGBEQSFBWAGOO-HOTGVXAUSA-N 2 0 327.900 2.442 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001496908153 1101703894 /nfs/dbraw/zinc/70/38/94/1101703894.db2.gz XHNUGSACURVIIH-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001447320252 1102440928 /nfs/dbraw/zinc/44/09/28/1102440928.db2.gz KPYFFVFDOBPIQD-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001494916998 1104554427 /nfs/dbraw/zinc/55/44/27/1104554427.db2.gz FFRPBGYBPKPUMO-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000447526686 283056819 /nfs/dbraw/zinc/05/68/19/283056819.db2.gz CDFFJUBPCWRFGM-MSOLQXFVSA-N 2 0 342.491 2.051 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000355408881 163179310 /nfs/dbraw/zinc/17/93/10/163179310.db2.gz KTSHNGVIGJNHTO-IRXDYDNUSA-N 2 0 342.487 2.321 20 30 EEEDRP N#CC1(CCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CCOCC1 ZINC000590600295 468283595 /nfs/dbraw/zinc/28/35/95/468283595.db2.gz MVRTVBJYAUREIX-SFHVURJKSA-N 2 0 335.492 2.274 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000128856711 462676214 /nfs/dbraw/zinc/67/62/14/462676214.db2.gz NFVFVSCNLILNOY-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP CC(C)CNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091537619 462887134 /nfs/dbraw/zinc/88/71/34/462887134.db2.gz RRBKJMGQQCCHSL-UHFFFAOYSA-N 2 0 332.492 2.264 20 30 EEEDRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000080012341 463272200 /nfs/dbraw/zinc/27/22/00/463272200.db2.gz XUIIFRNYJWBGFI-UHFFFAOYSA-N 2 0 328.460 2.246 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000057128314 463454895 /nfs/dbraw/zinc/45/48/95/463454895.db2.gz JWWUMXHYUYODSL-QGZVFWFLSA-N 2 0 345.512 2.346 20 30 EEEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000073903067 463668290 /nfs/dbraw/zinc/66/82/90/463668290.db2.gz LDDCBSBLXCNVCO-HNNXBMFYSA-N 2 0 346.475 2.018 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185812012 463883495 /nfs/dbraw/zinc/88/34/95/463883495.db2.gz OAUBIIMXTBFDEA-MAUKXSAKSA-N 2 0 328.460 2.150 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173195963 464208842 /nfs/dbraw/zinc/20/88/42/464208842.db2.gz CRYGWTCMRDRBHD-GOSISDBHSA-N 2 0 334.508 2.201 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)no1 ZINC000264078892 464280088 /nfs/dbraw/zinc/28/00/88/464280088.db2.gz GTTNTSOEJKUQTH-OAHLLOKOSA-N 2 0 327.432 2.230 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000264104151 464283423 /nfs/dbraw/zinc/28/34/23/464283423.db2.gz NHGMTKBOVIWJAK-INIZCTEOSA-N 2 0 348.491 2.229 20 30 EEEDRP CC(C)(C)NC(=[NH2+])NCc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000274212553 464739010 /nfs/dbraw/zinc/73/90/10/464739010.db2.gz PRQOZVZTWLOJEN-UHFFFAOYSA-N 2 0 332.496 2.092 20 30 EEEDRP C[NH+]=C(NCc1ccoc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000176330327 464751005 /nfs/dbraw/zinc/75/10/05/464751005.db2.gz VQBQUTDPGUFJJP-UHFFFAOYSA-N 2 0 336.505 2.306 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276087849 464804634 /nfs/dbraw/zinc/80/46/34/464804634.db2.gz MAWIIROMNCFJER-UHFFFAOYSA-N 2 0 344.503 2.240 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)s3)cn2)CC1 ZINC000176945815 464892127 /nfs/dbraw/zinc/89/21/27/464892127.db2.gz OEQKBBZJXVVQAH-UHFFFAOYSA-N 2 0 327.457 2.056 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267460029 464933963 /nfs/dbraw/zinc/93/39/63/464933963.db2.gz UUXZRVJYBLJLPF-UHFFFAOYSA-N 2 0 332.492 2.094 20 30 EEEDRP CC(C)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919337 468434045 /nfs/dbraw/zinc/43/40/45/468434045.db2.gz UHTRZCZWCIBMSW-GOSISDBHSA-N 2 0 328.460 2.012 20 30 EEEDRP CN(C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1(C#N)CCCCC1 ZINC000367198602 466186437 /nfs/dbraw/zinc/18/64/37/466186437.db2.gz DFLVDMKRWRERQW-UHFFFAOYSA-N 2 0 346.519 2.479 20 30 EEEDRP C[C@H](CC#N)NCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862108 469125837 /nfs/dbraw/zinc/12/58/37/469125837.db2.gz LBIMBODHRNIDIM-RHSMWYFYSA-N 2 0 348.878 2.485 20 30 EEEDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCCC1 ZINC000574032834 469248637 /nfs/dbraw/zinc/24/86/37/469248637.db2.gz YFJJPUHBUOXOKW-PKOBYXMFSA-N 2 0 345.487 2.204 20 30 EEEDRP Cc1cc(NCC[C@@H](C)[NH+](C)C)c(C#N)c(NCC[C@@H](C)[NH+](C)C)n1 ZINC000596431825 469264740 /nfs/dbraw/zinc/26/47/40/469264740.db2.gz NHDXOWDOHMEIPD-HZPDHXFCSA-N 2 0 346.523 2.766 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CC[NH+](C)CC1 ZINC000105465614 534060407 /nfs/dbraw/zinc/06/04/07/534060407.db2.gz OXZOEZXVIHHQRL-KRWDZBQOSA-N 2 0 330.476 2.095 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000106339380 526590992 /nfs/dbraw/zinc/59/09/92/526590992.db2.gz HNWLEORJQIZSPU-KRWDZBQOSA-N 2 0 336.524 2.447 20 30 EEEDRP N#CCCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127953 577513584 /nfs/dbraw/zinc/51/35/84/577513584.db2.gz GGQAMJODDTUGTH-OALUTQOASA-N 2 0 340.471 2.003 20 30 EEEDRP CC(=NNCC[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134473 577955826 /nfs/dbraw/zinc/95/58/26/577955826.db2.gz YTAJPXVFLSVEIV-UHFFFAOYSA-N 2 0 332.492 2.427 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214801 676157522 /nfs/dbraw/zinc/15/75/22/676157522.db2.gz QHFHIIAIVPORCU-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000949398665 676210671 /nfs/dbraw/zinc/21/06/71/676210671.db2.gz OOQADUFXYOOYMA-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022071682 676635682 /nfs/dbraw/zinc/63/56/82/676635682.db2.gz YCZDAPLTWNUQGJ-CEXWTWQISA-N 2 0 340.471 2.168 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)CCC1 ZINC000971675898 676733113 /nfs/dbraw/zinc/73/31/13/676733113.db2.gz BZUCVHPIVXJQHC-GOSISDBHSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972635999 679472024 /nfs/dbraw/zinc/47/20/24/679472024.db2.gz WKBKPUUXBSYIGS-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001023761808 679567393 /nfs/dbraw/zinc/56/73/93/679567393.db2.gz JUKWZYHEPSLHGZ-LJQANCHMSA-N 2 0 345.531 2.350 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569772 681213991 /nfs/dbraw/zinc/21/39/91/681213991.db2.gz GAIGGFJERURNFV-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465833 682840246 /nfs/dbraw/zinc/84/02/46/682840246.db2.gz WLTXFHLPRHUKMQ-NVXWUHKLSA-N 2 0 338.455 2.496 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591384 683061127 /nfs/dbraw/zinc/06/11/27/683061127.db2.gz BCAUKNSAUALRNC-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001026369746 684464940 /nfs/dbraw/zinc/46/49/40/684464940.db2.gz IPCXYQVTQGZLCW-GVDBMIGSSA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]12 ZINC001026404166 684576791 /nfs/dbraw/zinc/57/67/91/684576791.db2.gz PWZQZPCCSOZOEN-HYVNUMGLSA-N 2 0 328.460 2.164 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598898 685113956 /nfs/dbraw/zinc/11/39/56/685113956.db2.gz KRIRMIGYLIMWJJ-DLBZAZTESA-N 2 0 345.491 2.193 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680164 693950632 /nfs/dbraw/zinc/95/06/32/693950632.db2.gz BEBCBQKNOHVUJQ-OAHLLOKOSA-N 2 0 346.500 2.138 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975067303 686094577 /nfs/dbraw/zinc/09/45/77/686094577.db2.gz XEIKNKWSVZLQEK-LJQANCHMSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979085888 694168196 /nfs/dbraw/zinc/16/81/96/694168196.db2.gz GOVWJQBDQGQUFM-NNZMDNLPSA-N 2 0 347.890 2.408 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027446889 692113522 /nfs/dbraw/zinc/11/35/22/692113522.db2.gz WOEBIYPCVOEHRG-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001089885600 1192684928 /nfs/dbraw/zinc/68/49/28/1192684928.db2.gz IAKGZLMEPBJYEU-NMLBUPMWSA-N 2 0 345.531 2.462 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001482045974 1183221764 /nfs/dbraw/zinc/22/17/64/1183221764.db2.gz GXBVVLDILNYFFF-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088382294 1186754640 /nfs/dbraw/zinc/75/46/40/1186754640.db2.gz YMPWNRLCYYXVLN-ZBFHGGJFSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752832782 1187615119 /nfs/dbraw/zinc/61/51/19/1187615119.db2.gz JLRIUYMJEYHLCD-OALUTQOASA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC001105472800 1188021333 /nfs/dbraw/zinc/02/13/33/1188021333.db2.gz HIYIQRZVBPAFBH-QPIRBTGLSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCC3CC3)CC2)CC1 ZINC001168307288 1188278761 /nfs/dbraw/zinc/27/87/61/1188278761.db2.gz GCGJDMXMAWYREE-UHFFFAOYSA-N 2 0 331.504 2.008 20 30 EEEDRP C=CCOCc1nn(C)c2c1C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168322817 1188291968 /nfs/dbraw/zinc/29/19/68/1188291968.db2.gz XJSYPBHVUIZWHV-UHFFFAOYSA-N 2 0 332.492 2.354 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001486481178 1193995793 /nfs/dbraw/zinc/99/57/93/1193995793.db2.gz CHUSRNDHXDQTFB-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCN1CCC2(CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273127432 1194410977 /nfs/dbraw/zinc/41/09/77/1194410977.db2.gz ARAFMOAIABVBPZ-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)CC1 ZINC001034538579 1196361771 /nfs/dbraw/zinc/36/17/71/1196361771.db2.gz QJZYRVUDSJKZFP-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001034538880 1196362137 /nfs/dbraw/zinc/36/21/37/1196362137.db2.gz UHGZQZDDGWUWLG-MPNRVQBSSA-N 2 0 337.895 2.055 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034613347 1196436445 /nfs/dbraw/zinc/43/64/45/1196436445.db2.gz ZUZFWYQUKRZVCT-MGPQQGTHSA-N 2 0 344.297 2.006 20 30 EEEDRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000873293316 1198552570 /nfs/dbraw/zinc/55/25/70/1198552570.db2.gz ZAMPRDQBVWSSEV-YJBOKZPZSA-N 2 0 329.444 2.398 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCCCC1 ZINC001134750399 1199791247 /nfs/dbraw/zinc/79/12/47/1199791247.db2.gz XEIMMEXJYZRGDL-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132931914 1200208820 /nfs/dbraw/zinc/20/88/20/1200208820.db2.gz FSPPSVNGFBQNPJ-ROUUACIJSA-N 2 0 342.487 2.005 20 30 EEEDRP CC[C@@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001133684155 1201183317 /nfs/dbraw/zinc/18/33/17/1201183317.db2.gz DSVAAGRLRGPAEF-SFHVURJKSA-N 2 0 333.451 2.003 20 30 EEEDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001275829350 1205554445 /nfs/dbraw/zinc/55/44/45/1205554445.db2.gz XIRQWOVTUGVPPO-BGYRXZFFSA-N 2 0 343.471 2.323 20 30 EEEDRP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](COCCOC)CC[C@@H]3C2)c1 ZINC001276096321 1205779576 /nfs/dbraw/zinc/77/95/76/1205779576.db2.gz GTBQVQJOMDAYFP-OYRHEFFESA-N 2 0 342.483 2.432 20 30 EEEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1CC#N ZINC001276242988 1205851295 /nfs/dbraw/zinc/85/12/95/1205851295.db2.gz ZXCLYSLWPOWHKC-IHWFROFDSA-N 2 0 326.488 2.399 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001095556320 1205873213 /nfs/dbraw/zinc/87/32/13/1205873213.db2.gz LEEXXTGVBNHPAJ-FYQPLNBISA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111268785 1208519251 /nfs/dbraw/zinc/51/92/51/1208519251.db2.gz BBDJLMQAFHFFKL-AKHDSKFASA-N 2 0 325.456 2.034 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000948039476 1208834420 /nfs/dbraw/zinc/83/44/20/1208834420.db2.gz HMPXZDDDNBDQHK-AZUAARDMSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)[C@H](C)C2)CC1 ZINC000948070698 1208854325 /nfs/dbraw/zinc/85/43/25/1208854325.db2.gz RHDXROGRYHQFOZ-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948983265 1209488434 /nfs/dbraw/zinc/48/84/34/1209488434.db2.gz XTDCUPUQDVCAOZ-IBGZPJMESA-N 2 0 339.483 2.374 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559392 1215210310 /nfs/dbraw/zinc/21/03/10/1215210310.db2.gz HSSVLTQRFYLHAR-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733725 1225605755 /nfs/dbraw/zinc/60/57/55/1225605755.db2.gz VODBQYHJSQVURX-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960137870 1216379091 /nfs/dbraw/zinc/37/90/91/1216379091.db2.gz WNQGEQYVFQCLRD-OALUTQOASA-N 2 0 342.487 2.369 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961029015 1217014265 /nfs/dbraw/zinc/01/42/65/1217014265.db2.gz PRIPUTAFVPLLCG-HNNXBMFYSA-N 2 0 346.500 2.138 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180486 1217073550 /nfs/dbraw/zinc/07/35/50/1217073550.db2.gz HKESATFYSWNGAI-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961372440 1217162463 /nfs/dbraw/zinc/16/24/63/1217162463.db2.gz DLYXHZIOQHTAGM-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315509 1217507879 /nfs/dbraw/zinc/50/78/79/1217507879.db2.gz UTEXWVYXXLCXHZ-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328375 1217523536 /nfs/dbraw/zinc/52/35/36/1217523536.db2.gz OFLMBJSYNKITAT-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368403 1217565380 /nfs/dbraw/zinc/56/53/80/1217565380.db2.gz WFWOVJDAPGKKNN-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000965063093 1218867248 /nfs/dbraw/zinc/86/72/48/1218867248.db2.gz JVGJJKFGJFZLLL-VPCQXRJPSA-N 2 0 325.884 2.098 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037916140 1220304674 /nfs/dbraw/zinc/30/46/74/1220304674.db2.gz AOLYXUPOWPXYCH-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000968851250 1221621768 /nfs/dbraw/zinc/62/17/68/1221621768.db2.gz PRDLUKYRXRXGBT-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913638 1221664997 /nfs/dbraw/zinc/66/49/97/1221664997.db2.gz IKJXWBILDHBOBL-SFHVURJKSA-N 2 0 331.504 2.247 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702182 1226797440 /nfs/dbraw/zinc/79/74/40/1226797440.db2.gz LUOIMMKNCQZSGW-MSOLQXFVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001016826301 1226907650 /nfs/dbraw/zinc/90/76/50/1226907650.db2.gz ORXMDRGNPHUOHN-HIFRSBDPSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@@H](F)CC)CC3)CC1 ZINC001016986677 1227015419 /nfs/dbraw/zinc/01/54/19/1227015419.db2.gz SBJZRRYNBVYWGL-ROUUACIJSA-N 2 0 349.494 2.050 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001020173719 1229531796 /nfs/dbraw/zinc/53/17/96/1229531796.db2.gz BJSGZQRIXMNPBJ-CADBVGFASA-N 2 0 340.471 2.025 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039152408 1230371575 /nfs/dbraw/zinc/37/15/75/1230371575.db2.gz YTTKCCSFJCWUMH-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001039307487 1230519404 /nfs/dbraw/zinc/51/94/04/1230519404.db2.gz KLOKKIMQRXYIIO-MQVJKMGUSA-N 2 0 328.460 2.449 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447795 1230615730 /nfs/dbraw/zinc/61/57/30/1230615730.db2.gz KFSSDJIXILHMEO-QRVBRYPASA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347366 1231181051 /nfs/dbraw/zinc/18/10/51/1231181051.db2.gz KAIMKOUDGQDPTJ-CTNGQTDRSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040702276 1231340995 /nfs/dbraw/zinc/34/09/95/1231340995.db2.gz TXDXCSDORMLZMH-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041420889 1231539452 /nfs/dbraw/zinc/53/94/52/1231539452.db2.gz DLOBGVXWVFILMV-HXUWFJFHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591141 1231613349 /nfs/dbraw/zinc/61/33/49/1231613349.db2.gz WHUQFIIFBYBJLD-FPOVZHCZSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843272 1231727286 /nfs/dbraw/zinc/72/72/86/1231727286.db2.gz NTIGMKWAFDEQAY-FQEVSTJZSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042305648 1232018466 /nfs/dbraw/zinc/01/84/66/1232018466.db2.gz BYNBCPUKDCFUPM-QUCCMNQESA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C/C=C/Cl)[C@@H]3C2)CC1 ZINC001042367588 1232049617 /nfs/dbraw/zinc/04/96/17/1232049617.db2.gz IICQWIFFDCKTIC-AJMGZJKCSA-N 2 0 349.906 2.007 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001045639950 1233876539 /nfs/dbraw/zinc/87/65/39/1233876539.db2.gz VYTSABZVILRWOL-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943949 1234203760 /nfs/dbraw/zinc/20/37/60/1234203760.db2.gz RZHJDRYVZATIDF-LJQANCHMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244545 1235736444 /nfs/dbraw/zinc/73/64/44/1235736444.db2.gz SISYYHSBGUWVAX-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047255815 1235758921 /nfs/dbraw/zinc/75/89/21/1235758921.db2.gz DONYQDCQAQYGOM-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001048626015 1238135632 /nfs/dbraw/zinc/13/56/32/1238135632.db2.gz UYLPISLRIKFDAO-IBGZPJMESA-N 2 0 342.487 2.155 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(CC)CC)C[C@@H]3C2)CC1 ZINC001049234923 1240339656 /nfs/dbraw/zinc/33/96/56/1240339656.db2.gz JPCFVFAXHOAGKG-BGYRXZFFSA-N 2 0 345.531 2.158 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477885 1241072467 /nfs/dbraw/zinc/07/24/67/1241072467.db2.gz JUJDVRSYGYVPMW-ZWKOTPCHSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560561 1241420860 /nfs/dbraw/zinc/42/08/60/1241420860.db2.gz FCIKVOPRBVUELV-RTBURBONSA-N 2 0 336.439 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@H](F)CC)CC1 ZINC001049909740 1242658463 /nfs/dbraw/zinc/65/84/63/1242658463.db2.gz CDLJDCKLLAZETG-QRVBRYPASA-N 2 0 349.494 2.145 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141636 1242969618 /nfs/dbraw/zinc/96/96/18/1242969618.db2.gz VICROBLVXOLEDP-QKLQHJQFSA-N 2 0 349.494 2.145 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050730747 1244235867 /nfs/dbraw/zinc/23/58/67/1244235867.db2.gz NEMAKWFUBKTTAC-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001101597412 1246006628 /nfs/dbraw/zinc/00/66/28/1246006628.db2.gz JPTBZWQPIVCQKR-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)O2 ZINC001053651732 1246592244 /nfs/dbraw/zinc/59/22/44/1246592244.db2.gz KDBYTQAGJZUOJN-BZSNNMDCSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154908 1247548752 /nfs/dbraw/zinc/54/87/52/1247548752.db2.gz YGJYQTQSZRFIQD-FQEVSTJZSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054185328 1247650114 /nfs/dbraw/zinc/65/01/14/1247650114.db2.gz YXPXSWFJZBNDLV-CMKODMSKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099666 1254930635 /nfs/dbraw/zinc/93/06/35/1254930635.db2.gz VJQJIFHYCRQFDM-WMZOPIPTSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001072849328 1255431103 /nfs/dbraw/zinc/43/11/03/1255431103.db2.gz ACSOZNAEIYSYJK-HOTGVXAUSA-N 2 0 337.895 2.290 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O2 ZINC001098620447 1257728353 /nfs/dbraw/zinc/72/83/53/1257728353.db2.gz XAYXAXYJVHKSMT-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299694 1278316849 /nfs/dbraw/zinc/31/68/49/1278316849.db2.gz YSFVWKRHYWOEKY-ZWKOTPCHSA-N 2 0 341.499 2.253 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001201037483 1287266520 /nfs/dbraw/zinc/26/65/20/1287266520.db2.gz JVWUWAAJBPTMCC-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC001192163121 1281830864 /nfs/dbraw/zinc/83/08/64/1281830864.db2.gz UILMAKZLPRSTSU-SFHVURJKSA-N 2 0 347.890 2.176 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389537 1289554955 /nfs/dbraw/zinc/55/49/55/1289554955.db2.gz MFDMABITZWYVKO-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC001201639327 1289687533 /nfs/dbraw/zinc/68/75/33/1289687533.db2.gz JDXNQCZLXHGTLP-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702453 1294756309 /nfs/dbraw/zinc/75/63/09/1294756309.db2.gz ZTJFOSWCDLEDAA-MJGOQNOKSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001211307334 1295810856 /nfs/dbraw/zinc/81/08/56/1295810856.db2.gz UENPINICLLRUHH-LJJUJYJISA-N 2 0 331.504 2.124 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001215003485 1296687718 /nfs/dbraw/zinc/68/77/18/1296687718.db2.gz FUWFQABWTLXGGK-CRAIPNDOSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599701 1297294258 /nfs/dbraw/zinc/29/42/58/1297294258.db2.gz LHTPOVCFKLBTFQ-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C1CC[NH2+]C[C@H]1Oc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001218210869 1297598189 /nfs/dbraw/zinc/59/81/89/1297598189.db2.gz LNAFZMHNBUCLDR-QGZVFWFLSA-N 2 0 330.407 2.397 20 30 EEEDRP N#Cc1c(NC(=O)[C@H]2CCC3(C2)CC[NH2+]CC3)sc2c1CC[NH2+]C2 ZINC001218552113 1297708655 /nfs/dbraw/zinc/70/86/55/1297708655.db2.gz BXUGKLZGAQMRCO-LBPRGKRZSA-N 2 0 344.484 2.374 20 30 EEEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816419 1298153255 /nfs/dbraw/zinc/15/32/55/1298153255.db2.gz LRIBCPFIPXZKFZ-ZVDOUQERSA-N 2 0 348.450 2.038 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539234 1299198471 /nfs/dbraw/zinc/19/84/71/1299198471.db2.gz ZOMOCZBEPDHLFA-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223192058 1300006875 /nfs/dbraw/zinc/00/68/75/1300006875.db2.gz CCVCEJCDYTZPAX-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001227454006 1301835331 /nfs/dbraw/zinc/83/53/31/1301835331.db2.gz LPCJXYKLEHLFNI-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778634 1303451285 /nfs/dbraw/zinc/45/12/85/1303451285.db2.gz UTRIDYXISKVIQX-LJQANCHMSA-N 2 0 344.503 2.306 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cccnc1 ZINC001230824693 1303485153 /nfs/dbraw/zinc/48/51/53/1303485153.db2.gz MISYNPARYPITKH-HKUYNNGSSA-N 2 0 344.503 2.306 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871751 1303515376 /nfs/dbraw/zinc/51/53/76/1303515376.db2.gz QNTHSFWKEDBFBN-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001112355698 1304485495 /nfs/dbraw/zinc/48/54/95/1304485495.db2.gz NMVKTONYKYLVEM-NSHGMRRFSA-N 2 0 331.504 2.123 20 30 EEEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177522 1305177329 /nfs/dbraw/zinc/17/73/29/1305177329.db2.gz TWLOSVNGQPIENA-SJLPKXTDSA-N 2 0 334.508 2.237 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121289604 1309969790 /nfs/dbraw/zinc/96/97/90/1309969790.db2.gz ZLRUJJJPFPSDMD-INFDXNDLSA-N 2 0 329.488 2.044 20 30 EEEDRP CCCCCCCC[C@H](O)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001246050163 1310221797 /nfs/dbraw/zinc/22/17/97/1310221797.db2.gz FNQPRKJRYGUUMP-IBGZPJMESA-N 2 0 325.541 2.468 20 30 EEEDRP C[C@@H]1CC[C@@H](N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769962 1310421488 /nfs/dbraw/zinc/42/14/88/1310421488.db2.gz SGYZSZURTSYKMX-XFQXTVEOSA-N 2 0 338.455 2.128 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001152330005 1316657449 /nfs/dbraw/zinc/65/74/49/1316657449.db2.gz HITRDIAQANYRTQ-MSOLQXFVSA-N 2 0 333.520 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC001152334716 1316658135 /nfs/dbraw/zinc/65/81/35/1316658135.db2.gz PYGWLANXUCWXCG-AWEZNQCLSA-N 2 0 349.425 2.077 20 30 EEEDRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001152393442 1316667216 /nfs/dbraw/zinc/66/72/16/1316667216.db2.gz NWFPMOZZSBXWCF-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001157887345 1318917809 /nfs/dbraw/zinc/91/78/09/1318917809.db2.gz SQJRRTUEIQZTAG-LJQANCHMSA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(C)C(=O)NCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001258134855 1319184088 /nfs/dbraw/zinc/18/40/88/1319184088.db2.gz UXQBUUFNMNXDEM-UHFFFAOYSA-N 2 0 329.488 2.366 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001158405249 1319223352 /nfs/dbraw/zinc/22/33/52/1319223352.db2.gz OXEWOOYKTJTRJH-IEBWSBKVSA-N 2 0 342.487 2.090 20 30 EEEDRP N#Cc1ccc(Oc2nc(Cl)ncc2N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001159789278 1319992665 /nfs/dbraw/zinc/99/26/65/1319992665.db2.gz RLSRZJXDSWDFAR-CYBMUJFWSA-N 2 0 332.795 2.230 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879611 1320658241 /nfs/dbraw/zinc/65/82/41/1320658241.db2.gz QOQQTOFGXVBOGQ-SFHVURJKSA-N 2 0 349.519 2.059 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)(COC)CC1 ZINC001162487488 1320872784 /nfs/dbraw/zinc/87/27/84/1320872784.db2.gz GGPKMNWUHQCALJ-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001162928513 1320990251 /nfs/dbraw/zinc/99/02/51/1320990251.db2.gz JSVYKFMZAHPBBO-LJQANCHMSA-N 2 0 341.499 2.155 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001162982969 1321004574 /nfs/dbraw/zinc/00/45/74/1321004574.db2.gz SXFIXJRPEZUFJH-HXUWFJFHSA-N 2 0 341.499 2.012 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164514858 1321403644 /nfs/dbraw/zinc/40/36/44/1321403644.db2.gz UNYDJAIWYCAGJN-HNNXBMFYSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001166424549 1321717168 /nfs/dbraw/zinc/71/71/68/1321717168.db2.gz JXCZDDHOKVFKQO-IBGZPJMESA-N 2 0 329.488 2.254 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC001166744114 1321779329 /nfs/dbraw/zinc/77/93/29/1321779329.db2.gz IEVWSAWXFRDYES-UHFFFAOYSA-N 2 0 348.466 2.271 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203924816 1321990744 /nfs/dbraw/zinc/99/07/44/1321990744.db2.gz GMCOSAXEKAWSPK-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001276435980 1322019223 /nfs/dbraw/zinc/01/92/23/1322019223.db2.gz HZUCVEBCQWIGJF-WBVHZDCISA-N 2 0 332.879 2.279 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001263704491 1322505418 /nfs/dbraw/zinc/50/54/18/1322505418.db2.gz XUSLFTJOWBCUFD-CRAIPNDOSA-N 2 0 347.890 2.080 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cccc(F)c1 ZINC001205456217 1323144212 /nfs/dbraw/zinc/14/42/12/1323144212.db2.gz LNVANQGXOWLYPM-RBUKOAKNSA-N 2 0 345.462 2.382 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001205585612 1323206166 /nfs/dbraw/zinc/20/61/66/1323206166.db2.gz IVURVQMNCYNVTM-UHFFFAOYSA-N 2 0 333.520 2.491 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210216879 1325202623 /nfs/dbraw/zinc/20/26/23/1325202623.db2.gz AXSDVWQDIZVYEO-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+]=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccco1 ZINC000849044330 1338831815 /nfs/dbraw/zinc/83/18/15/1338831815.db2.gz HSVGXUOUJQCBNS-UHFFFAOYSA-N 2 0 326.444 2.393 20 30 EEEDRP C=CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001574924988 1343712426 /nfs/dbraw/zinc/71/24/26/1343712426.db2.gz DLGAZWAQMJFVLY-OAHLLOKOSA-N 2 0 334.512 2.098 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557052 1368819956 /nfs/dbraw/zinc/81/99/56/1368819956.db2.gz CJBYYEMRKKLXGP-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001121682220 1371913189 /nfs/dbraw/zinc/91/31/89/1371913189.db2.gz NVJGTQDFQSFBHR-IRXDYDNUSA-N 2 0 346.523 2.399 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000838623855 1372857368 /nfs/dbraw/zinc/85/73/68/1372857368.db2.gz SBSOWBKROIKYDC-UHFFFAOYSA-N 2 0 344.503 2.151 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001367480443 1374176053 /nfs/dbraw/zinc/17/60/53/1374176053.db2.gz NEHXQTGMGNNFDV-GOSISDBHSA-N 2 0 342.487 2.130 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001375266359 1377561260 /nfs/dbraw/zinc/56/12/60/1377561260.db2.gz DEHJLRVYGMUDMB-RTBURBONSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001376419705 1378537543 /nfs/dbraw/zinc/53/75/43/1378537543.db2.gz UULAVXJQUVBUCC-XHSDSOJGSA-N 2 0 327.900 2.250 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001380180435 1381096060 /nfs/dbraw/zinc/09/60/60/1381096060.db2.gz YNKCFHGYOSTPPC-CTWPCTMYSA-N 2 0 342.487 2.223 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001392013539 1389769887 /nfs/dbraw/zinc/76/98/87/1389769887.db2.gz BQNXFHHAKGUEGY-MRXNPFEDSA-N 2 0 346.500 2.233 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001392183927 1389873219 /nfs/dbraw/zinc/87/32/19/1389873219.db2.gz SMMQVJRXMCWHMH-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001392232832 1389915864 /nfs/dbraw/zinc/91/58/64/1389915864.db2.gz IOILSPAOZDUEAT-MSOLQXFVSA-N 2 0 330.476 2.129 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC001397050201 1391031662 /nfs/dbraw/zinc/03/16/62/1391031662.db2.gz FVJYSZHRCLDPSW-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001752920700 1406549278 /nfs/dbraw/zinc/54/92/78/1406549278.db2.gz FCCXNGACSUXLIF-MSOLQXFVSA-N 2 0 341.499 2.496 20 30 EEEDRP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001400922464 1396729587 /nfs/dbraw/zinc/72/95/87/1396729587.db2.gz GRSDAKGXKNTZKP-ZWKOTPCHSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153840 1396990343 /nfs/dbraw/zinc/99/03/43/1396990343.db2.gz MMHBJCGPFNREDU-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]Cc2ccccc2C#N)C2CC2)CCC1 ZINC001423002459 1400342569 /nfs/dbraw/zinc/34/25/69/1400342569.db2.gz ISKYEQOZFOQLGA-GOSISDBHSA-N 2 0 340.471 2.027 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423963 1400574546 /nfs/dbraw/zinc/57/45/46/1400574546.db2.gz ZWMPVQGDJOEUOM-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001755248814 1407260263 /nfs/dbraw/zinc/26/02/63/1407260263.db2.gz KCPITQWZVOCLRN-HZPDHXFCSA-N 2 0 333.451 2.002 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001751979301 1406159390 /nfs/dbraw/zinc/15/93/90/1406159390.db2.gz UCMXFYAICVBJQU-RBUKOAKNSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CCc3ccccc3)C2)C1 ZINC001755456838 1407482885 /nfs/dbraw/zinc/48/28/85/1407482885.db2.gz FUEZRMIVMADGCN-UHFFFAOYSA-N 2 0 341.499 2.271 20 30 EEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001755533101 1407600606 /nfs/dbraw/zinc/60/06/06/1407600606.db2.gz JDYHJMJXIOIUQG-IBGZPJMESA-N 2 0 337.483 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC)[C@@H]2CC)CC1 ZINC001087840398 782349781 /nfs/dbraw/zinc/34/97/81/782349781.db2.gz WARNSAYDOPDXJF-YTQUADARSA-N 2 0 333.520 2.347 20 30 EEEDRP N#Cc1cnc2cc[nH]c(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c1-2 ZINC001167207762 757499572 /nfs/dbraw/zinc/49/95/72/757499572.db2.gz HIWFLXFLLGKQQR-UZLBHIALSA-N 2 0 329.407 2.412 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001104452622 760911212 /nfs/dbraw/zinc/91/12/12/760911212.db2.gz PBHMSPCYGCMRSZ-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461266 760926836 /nfs/dbraw/zinc/92/68/36/760926836.db2.gz ARWXNUXVGGYBAM-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3cncn3C)CC2)CC1 ZINC001075462006 760944723 /nfs/dbraw/zinc/94/47/23/760944723.db2.gz ZUHHCZKWLOEHGQ-KRWDZBQOSA-N 2 0 344.503 2.489 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440060 761374913 /nfs/dbraw/zinc/37/49/13/761374913.db2.gz KCZZTQZLXLIQOD-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001104895029 765522598 /nfs/dbraw/zinc/52/25/98/765522598.db2.gz QKZILWUKPDDDNP-DBXWQHBBSA-N 2 0 341.499 2.171 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129701 782949927 /nfs/dbraw/zinc/94/99/27/782949927.db2.gz AYDLBIRVSAKNJD-QRVBRYPASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089643435 773672613 /nfs/dbraw/zinc/67/26/13/773672613.db2.gz VDVVSXRWIKBIJU-FGTMMUONSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649285 773752727 /nfs/dbraw/zinc/75/27/27/773752727.db2.gz GOYFDWRSBKQRCC-DLBZAZTESA-N 2 0 342.487 2.391 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657493 774008942 /nfs/dbraw/zinc/00/89/42/774008942.db2.gz VCOATBLMWSJFAT-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001106910472 774874227 /nfs/dbraw/zinc/87/42/27/774874227.db2.gz ZRFKXIAPPXUIEN-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981193289 776763600 /nfs/dbraw/zinc/76/36/00/776763600.db2.gz GOASHQHVLSJBQF-LSDHHAIUSA-N 2 0 325.884 2.384 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089819413 776799098 /nfs/dbraw/zinc/79/90/98/776799098.db2.gz GOUBWXSPBGUXCC-XSLAGTTESA-N 2 0 331.504 2.216 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981365284 777259536 /nfs/dbraw/zinc/25/95/36/777259536.db2.gz MPHNICZFNGEEGH-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366334 777261404 /nfs/dbraw/zinc/26/14/04/777261404.db2.gz BQRYYQKMSJQQDL-JKSUJKDBSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087469606 781318474 /nfs/dbraw/zinc/31/84/74/781318474.db2.gz MOROHXXJLKZUQP-QXAKKESOSA-N 2 0 345.462 2.238 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135307123 783566256 /nfs/dbraw/zinc/56/62/56/783566256.db2.gz ANAROQXPFYSSGA-STQMWFEESA-N 2 0 334.302 2.110 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+](C)C ZINC001135371722 783660240 /nfs/dbraw/zinc/66/02/40/783660240.db2.gz IHGPQKXRDPVVAZ-KBPBESRZSA-N 2 0 334.439 2.022 20 30 EEEDRP C=CCc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc(OC)c1OC ZINC000817909442 785061792 /nfs/dbraw/zinc/06/17/92/785061792.db2.gz QZKKKJWCEAHBKH-RRQGHBQHSA-N 2 0 334.460 2.274 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001171162399 789578708 /nfs/dbraw/zinc/57/87/08/789578708.db2.gz XQJNCNZULYUVOA-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908911 789795105 /nfs/dbraw/zinc/79/51/05/789795105.db2.gz HHPKRDSYCVZPGD-RDGPPVDQSA-N 2 0 331.504 2.217 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593106 791361738 /nfs/dbraw/zinc/36/17/38/791361738.db2.gz OANCNCJLFZTHQG-LSDHHAIUSA-N 2 0 348.466 2.410 20 30 EEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998091502 791946490 /nfs/dbraw/zinc/94/64/90/791946490.db2.gz BYPCOTFIJGXQNR-FHWLQOOXSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCF)CC2)CC1 ZINC000998195846 792200444 /nfs/dbraw/zinc/20/04/44/792200444.db2.gz HVHKLXJVRNJMCV-SFHVURJKSA-N 2 0 337.483 2.004 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086953039 793088729 /nfs/dbraw/zinc/08/87/29/793088729.db2.gz XPCNQDZLZFFQKQ-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001112540196 794075089 /nfs/dbraw/zinc/07/50/89/794075089.db2.gz KMPPPAPKSLXWIA-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000999437656 794462677 /nfs/dbraw/zinc/46/26/77/794462677.db2.gz YMXLMSGWJJPMLJ-YOEHRIQHSA-N 2 0 348.516 2.287 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755364 794786286 /nfs/dbraw/zinc/78/62/86/794786286.db2.gz VMEZZLVWHGFBBD-LPHOPBHVSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)CC1 ZINC000999870492 795063993 /nfs/dbraw/zinc/06/39/93/795063993.db2.gz LQMJERHEEZSZRU-UHFFFAOYSA-N 2 0 339.483 2.111 20 30 EEEDRP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001111552751 806385986 /nfs/dbraw/zinc/38/59/86/806385986.db2.gz LWZTXLKKVPINQA-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107992982 795245872 /nfs/dbraw/zinc/24/58/72/795245872.db2.gz FTIVWCLKDPIJAB-PKOBYXMFSA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001106597583 795928416 /nfs/dbraw/zinc/92/84/16/795928416.db2.gz BCNYUNMSHIJPAE-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445472 796252715 /nfs/dbraw/zinc/25/27/15/796252715.db2.gz ZLRNYYMJFWTMNH-UYAOXDASSA-N 2 0 343.515 2.247 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902917 796441606 /nfs/dbraw/zinc/44/16/06/796441606.db2.gz SCARNJQWTCNXHU-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860115 797430604 /nfs/dbraw/zinc/43/06/04/797430604.db2.gz JWCQFQMUNUQHJW-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001176736872 798542265 /nfs/dbraw/zinc/54/22/65/798542265.db2.gz FUFPFZBYTBVLQX-SJORKVTESA-N 2 0 339.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@H](F)CC)CC1 ZINC001176739706 798543724 /nfs/dbraw/zinc/54/37/24/798543724.db2.gz YSDYFUZMSFVZQU-SJLPKXTDSA-N 2 0 339.499 2.344 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176758421 798570961 /nfs/dbraw/zinc/57/09/61/798570961.db2.gz BKDOOZRVIBGMTE-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998184 798600649 /nfs/dbraw/zinc/60/06/49/798600649.db2.gz YXFAYEBKSBPORW-NEWSRXKRSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178708354 799599337 /nfs/dbraw/zinc/59/93/37/799599337.db2.gz TZOFFTDCNZWMNQ-LNLFQRSKSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179025304 799730295 /nfs/dbraw/zinc/73/02/95/799730295.db2.gz MJZFHOWWOGCCSW-HOCLYGCPSA-N 2 0 336.867 2.239 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561374 799974604 /nfs/dbraw/zinc/97/46/04/799974604.db2.gz HJBDSPHELKBCFN-SQNIBIBYSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352881 800374139 /nfs/dbraw/zinc/37/41/39/800374139.db2.gz XKUCGMDMXUTYSJ-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085334374 800374692 /nfs/dbraw/zinc/37/46/92/800374692.db2.gz IKMWAQYQZJGPJB-RTBURBONSA-N 2 0 327.472 2.055 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182401008 801151935 /nfs/dbraw/zinc/15/19/35/801151935.db2.gz BQGYSDQVYXNEMD-DNVCBOLYSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001004200551 801249836 /nfs/dbraw/zinc/24/98/36/801249836.db2.gz CSVVFCGKUZJNGT-UHFFFAOYSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986994 801840799 /nfs/dbraw/zinc/84/07/99/801840799.db2.gz REINRHIMKNAAIK-LJQANCHMSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085486 802106728 /nfs/dbraw/zinc/10/67/28/802106728.db2.gz HNACMYFOXFNTIT-LVQVYYBASA-N 2 0 325.884 2.098 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004522563 802284616 /nfs/dbraw/zinc/28/46/16/802284616.db2.gz LLUYICGPNAXPBF-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001185249180 802421160 /nfs/dbraw/zinc/42/11/60/802421160.db2.gz QTOWOMNMPWPUKR-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585744 802424446 /nfs/dbraw/zinc/42/44/46/802424446.db2.gz JZNQJZBHMNLLPK-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642880 802552823 /nfs/dbraw/zinc/55/28/23/802552823.db2.gz TUDZIXJQOGJNAS-RDGPPVDQSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033159968 802685082 /nfs/dbraw/zinc/68/50/82/802685082.db2.gz CDXCPIHBSAUSKX-MOPGFXCFSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1 ZINC001169075007 803605028 /nfs/dbraw/zinc/60/50/28/803605028.db2.gz FAHCOTPJDAHXFC-APWZRJJASA-N 2 0 326.444 2.057 20 30 EEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001108716008 804384963 /nfs/dbraw/zinc/38/49/63/804384963.db2.gz DRLRNYNAECQXAD-SCTDSRPQSA-N 2 0 342.487 2.453 20 30 EEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001438446735 1090950957 /nfs/dbraw/zinc/95/09/57/1090950957.db2.gz UIIMYSLXDJOGPN-UHFFFAOYSA-N 2 0 335.879 2.487 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001440120475 1093182349 /nfs/dbraw/zinc/18/23/49/1093182349.db2.gz UXFFFUAXCGJEDM-GJZGRUSLSA-N 2 0 325.884 2.194 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444636740 1099465182 /nfs/dbraw/zinc/46/51/82/1099465182.db2.gz SSUKWBZMHMWBQG-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444690397 1099541672 /nfs/dbraw/zinc/54/16/72/1099541672.db2.gz HYEPCQXQHFXIRW-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480536569 1100366401 /nfs/dbraw/zinc/36/64/01/1100366401.db2.gz IHPJRQYDOSMIFH-HNNXBMFYSA-N 2 0 330.476 2.130 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497817091 1103144929 /nfs/dbraw/zinc/14/49/29/1103144929.db2.gz LMEUUCAQTHPUNE-MRXNPFEDSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448146141 1104105035 /nfs/dbraw/zinc/10/50/35/1104105035.db2.gz JQVLAJBWVCNISU-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000130429307 223151591 /nfs/dbraw/zinc/15/15/91/223151591.db2.gz PMZZMUOBHDIMFG-UHFFFAOYSA-N 2 0 325.416 2.414 20 30 EEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000576029162 320134374 /nfs/dbraw/zinc/13/43/74/320134374.db2.gz UWWZBAMZCIGQNW-MJGOQNOKSA-N 2 0 345.487 2.400 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000047977535 462844438 /nfs/dbraw/zinc/84/44/38/462844438.db2.gz GUIKDWSAWFMSBH-IBGZPJMESA-N 2 0 345.487 2.352 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000068432724 463136171 /nfs/dbraw/zinc/13/61/71/463136171.db2.gz LHDUXGVELYFMAL-UHFFFAOYSA-N 2 0 326.444 2.000 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC2([NH+](C)C)CCCCC2)cc1OC ZINC000264096338 464282704 /nfs/dbraw/zinc/28/27/04/464282704.db2.gz MAFWGJFVKBBPEE-UHFFFAOYSA-N 2 0 348.491 2.373 20 30 EEEDRP CCN(C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245805702 464516009 /nfs/dbraw/zinc/51/60/09/464516009.db2.gz PYLVDQHITGVROF-AOIWGVFYSA-N 2 0 342.487 2.247 20 30 EEEDRP CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000329792904 465435739 /nfs/dbraw/zinc/43/57/39/465435739.db2.gz AMESRLMOSXSAMM-ARFHVFGLSA-N 2 0 333.480 2.479 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000329875213 465458850 /nfs/dbraw/zinc/45/88/50/465458850.db2.gz GHHDGHIKTKYFDF-HZPDHXFCSA-N 2 0 345.491 2.163 20 30 EEEDRP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ncn1 ZINC000329911132 465471286 /nfs/dbraw/zinc/47/12/86/465471286.db2.gz WGAJSLHRDQCNFF-RBSFLKMASA-N 2 0 346.479 2.316 20 30 EEEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338913492 466478794 /nfs/dbraw/zinc/47/87/94/466478794.db2.gz QWGXLMBVVJGIKU-SJLPKXTDSA-N 2 0 334.508 2.239 20 30 EEEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424139069 466988564 /nfs/dbraw/zinc/98/85/64/466988564.db2.gz DVTPOTNFMROXJC-OGWHTMIXSA-N 2 0 342.487 2.280 20 30 EEEDRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H](C#N)CCC#N)[C@H](c2ccccc2)C1 ZINC000591725386 468510854 /nfs/dbraw/zinc/51/08/54/468510854.db2.gz WICOVGJQPYKICC-QUCCMNQESA-N 2 0 339.487 2.398 20 30 EEEDRP C[N@H+](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000600829763 468668001 /nfs/dbraw/zinc/66/80/01/468668001.db2.gz LSACVQUVNILNRY-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000645415066 470296719 /nfs/dbraw/zinc/29/67/19/470296719.db2.gz DJAAIEHWCDDPFT-OTWHNJEPSA-N 2 0 333.520 2.437 20 30 EEEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000131365259 528254464 /nfs/dbraw/zinc/25/44/64/528254464.db2.gz ZYZHNYVEUNDZEI-SFHVURJKSA-N 2 0 334.508 2.192 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000767926546 577547384 /nfs/dbraw/zinc/54/73/84/577547384.db2.gz LPQJQUPOFVWKLH-WOJBJXKFSA-N 2 0 328.456 2.166 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133659 675633865 /nfs/dbraw/zinc/63/38/65/675633865.db2.gz JWFNATMLONYXAK-OALUTQOASA-N 2 0 333.520 2.463 20 30 EEEDRP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688571 676738692 /nfs/dbraw/zinc/73/86/92/676738692.db2.gz YDCHBPGPJSAXDC-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688274 676738767 /nfs/dbraw/zinc/73/87/67/676738767.db2.gz VOQCTFYZYIWIRD-OAHLLOKOSA-N 2 0 346.500 2.137 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000971734913 676766304 /nfs/dbraw/zinc/76/63/04/676766304.db2.gz IRZUKZYKGZAKDR-OALUTQOASA-N 2 0 342.487 2.177 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000971785038 676790360 /nfs/dbraw/zinc/79/03/60/676790360.db2.gz PWMAMWJCLKAGSG-SJLPKXTDSA-N 2 0 346.450 2.070 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262335229 679143251 /nfs/dbraw/zinc/14/32/51/679143251.db2.gz BRFOHGJJIZFFBI-FJIDUMEYSA-N 2 0 348.535 2.326 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001023449203 679314481 /nfs/dbraw/zinc/31/44/81/679314481.db2.gz JRGREPPNHNUDQG-DLBZAZTESA-N 2 0 330.476 2.240 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@]2(C)C1 ZINC000982832418 681354088 /nfs/dbraw/zinc/35/40/88/681354088.db2.gz YSMHROZSDTXXTC-OYRHEFFESA-N 2 0 339.483 2.165 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982617583 681788952 /nfs/dbraw/zinc/78/89/52/681788952.db2.gz OKNSWWIWBRCXBN-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261944818 682527497 /nfs/dbraw/zinc/52/74/97/682527497.db2.gz FLUBHFLLVUZADX-LPHOPBHVSA-N 2 0 336.524 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627627 683153648 /nfs/dbraw/zinc/15/36/48/683153648.db2.gz AJQBPNDPGFWFEA-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3cnc(C)c3)C[C@H]21 ZINC000992724543 683305926 /nfs/dbraw/zinc/30/59/26/683305926.db2.gz DDVHIKXVLBEEOU-GVDBMIGSSA-N 2 0 330.476 2.329 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]12 ZINC001026293038 684209702 /nfs/dbraw/zinc/20/97/02/684209702.db2.gz YQMWDDHIFORGNH-KZNAEPCWSA-N 2 0 331.504 2.265 20 30 EEEDRP CC#CCN1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974647197 685149737 /nfs/dbraw/zinc/14/97/37/685149737.db2.gz SIYWCMNKDJVVSO-HNNXBMFYSA-N 2 0 333.501 2.273 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262432078 686048311 /nfs/dbraw/zinc/04/83/11/686048311.db2.gz SPKUDCOBWDECGU-KVDVXYDOSA-N 2 0 348.535 2.370 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC000979094996 694175707 /nfs/dbraw/zinc/17/57/07/694175707.db2.gz ZJGZEJSAIICTII-LDLYASANSA-N 2 0 345.531 2.062 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352094 688524214 /nfs/dbraw/zinc/52/42/14/688524214.db2.gz FTNOZZPBICCPFK-CXAGYDPISA-N 2 0 346.500 2.183 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000987328817 689607779 /nfs/dbraw/zinc/60/77/79/689607779.db2.gz LCLFHTBRRYWHEC-YOEHRIQHSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876646 1186754213 /nfs/dbraw/zinc/75/42/13/1186754213.db2.gz UTQKFFMODAGXTE-YESZJQIVSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399373 1186798620 /nfs/dbraw/zinc/79/86/20/1186798620.db2.gz JISGCWHFKZMDJY-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168345754 1188312380 /nfs/dbraw/zinc/31/23/80/1188312380.db2.gz SXTNHCQVBXHCNJ-HNNXBMFYSA-N 2 0 327.900 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(CC)CC)C[C@H]32)CC1 ZINC001076605748 1189036407 /nfs/dbraw/zinc/03/64/07/1189036407.db2.gz QVLKGKQXCOSGNL-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818031 1194441027 /nfs/dbraw/zinc/44/10/27/1194441027.db2.gz AZTYANJDZHREPB-YRPNKDGESA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417656 1194540349 /nfs/dbraw/zinc/54/03/49/1194540349.db2.gz WVOIUGCBGPCLMC-QFBILLFUSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005495416 1195615284 /nfs/dbraw/zinc/61/52/84/1195615284.db2.gz BNJBYKOHQLZHIV-IBGZPJMESA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537709 1196358071 /nfs/dbraw/zinc/35/80/71/1196358071.db2.gz NRYNYIKLIDSJLE-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001034795230 1196732498 /nfs/dbraw/zinc/73/24/98/1196732498.db2.gz XDQJGZQBOXGNTQ-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518789 1199802206 /nfs/dbraw/zinc/80/22/06/1199802206.db2.gz OGHBCMAJIMBMSC-IEBWSBKVSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001133092067 1200434172 /nfs/dbraw/zinc/43/41/72/1200434172.db2.gz YKMNZENADMRTTD-APWZRJJASA-N 2 0 342.487 2.084 20 30 EEEDRP CC[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000128822802 1201645021 /nfs/dbraw/zinc/64/50/21/1201645021.db2.gz LRZCWHMXCOZETA-HNNXBMFYSA-N 2 0 333.505 2.172 20 30 EEEDRP CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000130682200 1201993056 /nfs/dbraw/zinc/99/30/56/1201993056.db2.gz CURWDADWPNAQQW-MJGOQNOKSA-N 2 0 336.524 2.110 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1C ZINC000931397764 1207370027 /nfs/dbraw/zinc/37/00/27/1207370027.db2.gz XQIAZPPMZJTNMM-SFHVURJKSA-N 2 0 342.487 2.355 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC000949115306 1209541592 /nfs/dbraw/zinc/54/15/92/1209541592.db2.gz ZKMCGOZCEJRACI-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1 ZINC000303768701 1213904018 /nfs/dbraw/zinc/90/40/18/1213904018.db2.gz ANWJFFFVOIWRBV-AWEZNQCLSA-N 2 0 339.281 2.338 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000957579748 1215226371 /nfs/dbraw/zinc/22/63/71/1215226371.db2.gz YVHKSUSEBDDWNU-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)CC1 ZINC000957647323 1215294993 /nfs/dbraw/zinc/29/49/93/1215294993.db2.gz CAJFHYULVQUIMY-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647948 1215295340 /nfs/dbraw/zinc/29/53/40/1215295340.db2.gz XNRRUCREJCDLLZ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1ccccc1F ZINC000304667635 1216083357 /nfs/dbraw/zinc/08/33/57/1216083357.db2.gz BMKKDXZNZLVUTP-CABCVRRESA-N 2 0 336.455 2.372 20 30 EEEDRP CC(C)CNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304764875 1216105511 /nfs/dbraw/zinc/10/55/11/1216105511.db2.gz YPNHKMNLKVYBTP-INIZCTEOSA-N 2 0 332.492 2.447 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960290462 1216475507 /nfs/dbraw/zinc/47/55/07/1216475507.db2.gz PTBBAZBLLYUQOD-ZSYWTGECSA-N 2 0 331.504 2.406 20 30 EEEDRP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960479692 1216615155 /nfs/dbraw/zinc/61/51/55/1216615155.db2.gz PKFSYWBZVKSHMH-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961405165 1217177450 /nfs/dbraw/zinc/17/74/50/1217177450.db2.gz JALGXNLWSIJLAO-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961405716 1217177957 /nfs/dbraw/zinc/17/79/57/1217177957.db2.gz LIESLHHMMDCYER-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961407356 1217178225 /nfs/dbraw/zinc/17/82/25/1217178225.db2.gz XFQFYWYVDRDING-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CCF)C2)CC1 ZINC000963431626 1217624759 /nfs/dbraw/zinc/62/47/59/1217624759.db2.gz XRYPINWLZHMFQC-RBUKOAKNSA-N 2 0 349.494 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423948 1220500734 /nfs/dbraw/zinc/50/07/34/1220500734.db2.gz MJKPFTJWCHWWQK-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038716254 1229993918 /nfs/dbraw/zinc/99/39/18/1229993918.db2.gz BYRNJUVXMOEMTB-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204830 1230431804 /nfs/dbraw/zinc/43/18/04/1230431804.db2.gz FFQRVCNUASIYMC-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234077 1230467186 /nfs/dbraw/zinc/46/71/86/1230467186.db2.gz IBZWWYQAOKHVEM-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384696 1230569640 /nfs/dbraw/zinc/56/96/40/1230569640.db2.gz JXLFHWSYPCYMKA-QRVBRYPASA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001039437659 1230610102 /nfs/dbraw/zinc/61/01/02/1230610102.db2.gz SOLODYGLZDCYRW-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275123 1231147263 /nfs/dbraw/zinc/14/72/63/1231147263.db2.gz INYIGTIYSUQIMS-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279967 1231149600 /nfs/dbraw/zinc/14/96/00/1231149600.db2.gz BPEPQSCGJYOKKM-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314609 1231165242 /nfs/dbraw/zinc/16/52/42/1231165242.db2.gz ULACPNREYOBVIC-FPOVZHCZSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347340 1231180852 /nfs/dbraw/zinc/18/08/52/1231180852.db2.gz JJTHITRBPLVBIG-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040358794 1231186473 /nfs/dbraw/zinc/18/64/73/1231186473.db2.gz ZCUAXZUSQUBGNL-BJLQDIEVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041349501 1231515150 /nfs/dbraw/zinc/51/51/50/1231515150.db2.gz PFDDVVSTDQVNHO-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123534 1231904547 /nfs/dbraw/zinc/90/45/47/1231904547.db2.gz SQXYLOIBLKSIOM-APWZRJJASA-N 2 0 336.439 2.202 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268376 1231994049 /nfs/dbraw/zinc/99/40/49/1231994049.db2.gz CJNIBOBMRRKAEX-UYAOXDASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042304448 1232017054 /nfs/dbraw/zinc/01/70/54/1232017054.db2.gz NXPGUOWEOJQEKA-HKUYNNGSSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366964 1232048837 /nfs/dbraw/zinc/04/88/37/1232048837.db2.gz YPXKBFQOMXOUMO-ICSRJNTNSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C/C=C\Cl)[C@@H]3C2)CC1 ZINC001042367589 1232049741 /nfs/dbraw/zinc/04/97/41/1232049741.db2.gz IICQWIFFDCKTIC-CKCOBZJESA-N 2 0 349.906 2.007 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001045067094 1233480389 /nfs/dbraw/zinc/48/03/89/1233480389.db2.gz FKOUXRFUAWIJGS-WMLDXEAASA-N 2 0 346.500 2.041 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001045089712 1233495821 /nfs/dbraw/zinc/49/58/21/1233495821.db2.gz MLARBIKMCZVTEY-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673963 1233899266 /nfs/dbraw/zinc/89/92/66/1233899266.db2.gz ZZNSXLJTWCIVEG-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949568 1234214191 /nfs/dbraw/zinc/21/41/91/1234214191.db2.gz JVRDEOCNEUIBME-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950758 1234216961 /nfs/dbraw/zinc/21/69/61/1234216961.db2.gz KSNHBMXRHLIBRL-HXUWFJFHSA-N 2 0 343.515 2.343 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047230943 1235707128 /nfs/dbraw/zinc/70/71/28/1235707128.db2.gz ITCSUOQKOQQHPS-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244009 1235735005 /nfs/dbraw/zinc/73/50/05/1235735005.db2.gz OWSUTQSYGPJZDH-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001055014547 1249590958 /nfs/dbraw/zinc/59/09/58/1249590958.db2.gz HOTGFMBAXSDVFU-RISCZKNCSA-N 2 0 325.840 2.144 20 30 EEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000902376475 1237483528 /nfs/dbraw/zinc/48/35/28/1237483528.db2.gz NOMKWTBTMVFYLB-QZTJIDSGSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048525659 1237863050 /nfs/dbraw/zinc/86/30/50/1237863050.db2.gz DBOIUFBSQUEDCI-RDGPPVDQSA-N 2 0 331.504 2.242 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849831 1238973910 /nfs/dbraw/zinc/97/39/10/1238973910.db2.gz UCWUEDRODKRXKO-XHSDSOJGSA-N 2 0 325.884 2.004 20 30 EEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000152227 1240002542 /nfs/dbraw/zinc/00/25/42/1240002542.db2.gz BCDDZTBTILZRSA-AEFFLSMTSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049524909 1241245545 /nfs/dbraw/zinc/24/55/45/1241245545.db2.gz OQHUJRMYYWPWLH-GBESFXJTSA-N 2 0 331.504 2.338 20 30 EEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001001144776 1241722151 /nfs/dbraw/zinc/72/21/51/1241722151.db2.gz OJZFSXSNMNBLJS-KRWDZBQOSA-N 2 0 328.460 2.078 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001073678685 1242638207 /nfs/dbraw/zinc/63/82/07/1242638207.db2.gz BMQGLRQIUHRQTE-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079643 1243676520 /nfs/dbraw/zinc/67/65/20/1243676520.db2.gz MHXWSUXENMTBPP-NBYUQASBSA-N 2 0 343.515 2.386 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001050687541 1244130089 /nfs/dbraw/zinc/13/00/89/1244130089.db2.gz LHFSJIBDXATXMX-UHFFFAOYSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050726390 1244223411 /nfs/dbraw/zinc/22/34/11/1244223411.db2.gz ARPHYTMMDWIIEE-FQEVSTJZSA-N 2 0 339.483 2.021 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050730890 1244236732 /nfs/dbraw/zinc/23/67/32/1244236732.db2.gz NEMAKWFUBKTTAC-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716219 1244821607 /nfs/dbraw/zinc/82/16/07/1244821607.db2.gz KVQVKLIUKPBTAH-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937411 1245513604 /nfs/dbraw/zinc/51/36/04/1245513604.db2.gz KMZXPMVVRMNEPI-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001052938379 1245516057 /nfs/dbraw/zinc/51/60/57/1245516057.db2.gz WZVLCCTWHYCIIC-HNNXBMFYSA-N 2 0 346.500 2.186 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053674157 1246625462 /nfs/dbraw/zinc/62/54/62/1246625462.db2.gz JRTFJGLIQLQJKO-ZWKOTPCHSA-N 2 0 349.519 2.175 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254965 1246783682 /nfs/dbraw/zinc/78/36/82/1246783682.db2.gz SLFKBQUCTYAXES-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054058490 1247263010 /nfs/dbraw/zinc/26/30/10/1247263010.db2.gz NGWBKZDIEWZVFX-LJQANCHMSA-N 2 0 339.483 2.201 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438977 1247286933 /nfs/dbraw/zinc/28/69/33/1247286933.db2.gz FVSQZJGSRQFSIW-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158053 1247559089 /nfs/dbraw/zinc/55/90/89/1247559089.db2.gz DFUBSZOTTVUIHN-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159761 1247566250 /nfs/dbraw/zinc/56/62/50/1247566250.db2.gz YWKAUANLGASBCV-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054245055 1247861633 /nfs/dbraw/zinc/86/16/33/1247861633.db2.gz NVSGIDWHEAQVRV-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175797 1254031441 /nfs/dbraw/zinc/03/14/41/1254031441.db2.gz LEGSEUVQFNIXRM-PKOBYXMFSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C[C@H](C)CC)C3)CC1 ZINC001099174509 1257994037 /nfs/dbraw/zinc/99/40/37/1257994037.db2.gz QGSIGHVCJWAVGD-LMNJBCLMSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccccc1C#N ZINC001135298999 1278315954 /nfs/dbraw/zinc/31/59/54/1278315954.db2.gz SILGKGBNIMILEZ-CVEARBPZSA-N 2 0 342.487 2.273 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185518384 1278685445 /nfs/dbraw/zinc/68/54/45/1278685445.db2.gz YQHJNVLUXDGGPH-HOTGVXAUSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(C)C)[C@H](C)C2)CC1 ZINC001185730900 1278767023 /nfs/dbraw/zinc/76/70/23/1278767023.db2.gz ORTCQHONWVBTNR-MJGOQNOKSA-N 2 0 333.520 2.062 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200886893 1287217065 /nfs/dbraw/zinc/21/70/65/1287217065.db2.gz FMBWACOOISGDBX-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001187221366 1279464784 /nfs/dbraw/zinc/46/47/84/1279464784.db2.gz XBJKCZGLIDWNNR-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850725 1279674155 /nfs/dbraw/zinc/67/41/55/1279674155.db2.gz HXDMWAMINFRDIO-ZWKOTPCHSA-N 2 0 339.524 2.116 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 ZINC001192961520 1282248732 /nfs/dbraw/zinc/24/87/32/1282248732.db2.gz ZOXGCEUAVWGTKX-GOSISDBHSA-N 2 0 346.450 2.072 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1OC ZINC001198925737 1285423085 /nfs/dbraw/zinc/42/30/85/1285423085.db2.gz XACWYVQRAXIJNY-GOSISDBHSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1OC ZINC001198985496 1285459177 /nfs/dbraw/zinc/45/91/77/1285459177.db2.gz YETCKPBQCPQOHO-KRWDZBQOSA-N 2 0 331.460 2.114 20 30 EEEDRP C#C[C@](C)(CC)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000852099890 1291993097 /nfs/dbraw/zinc/99/30/97/1291993097.db2.gz RBJBADTYGHNNTO-OAQYLSRUSA-N 2 0 341.499 2.421 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001072094523 1295233963 /nfs/dbraw/zinc/23/39/63/1295233963.db2.gz AMEXLAZAUXMZIF-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219208 1295941470 /nfs/dbraw/zinc/94/14/70/1295941470.db2.gz GOSRDUPFRROYIT-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213341992 1295985556 /nfs/dbraw/zinc/98/55/56/1295985556.db2.gz AAAQPKLVCDNSID-IAGOWNOFSA-N 2 0 339.524 2.114 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399682 1296006270 /nfs/dbraw/zinc/00/62/70/1296006270.db2.gz GSHPMKRLYBMTGL-KZNAEPCWSA-N 2 0 339.524 2.134 20 30 EEEDRP N#Cc1ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(OC(F)(F)F)c1 ZINC001218840948 1297825867 /nfs/dbraw/zinc/82/58/67/1297825867.db2.gz VEZJDSNLRPHUKO-NSHDSACASA-N 2 0 344.337 2.242 20 30 EEEDRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643712 1298488286 /nfs/dbraw/zinc/48/82/86/1298488286.db2.gz PPPJYLJYPZSDOW-WMZOPIPTSA-N 2 0 340.471 2.049 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221392404 1298805537 /nfs/dbraw/zinc/80/55/37/1298805537.db2.gz VSMVLSURJNBCJW-KRWDZBQOSA-N 2 0 332.492 2.019 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942473 1299214121 /nfs/dbraw/zinc/21/41/21/1299214121.db2.gz MNMOQUJCBNUMPQ-VAMGGRTRSA-N 2 0 339.483 2.235 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899847 1299473987 /nfs/dbraw/zinc/47/39/87/1299473987.db2.gz YZSWAMKDSHUSCL-IRXDYDNUSA-N 2 0 339.524 2.015 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](C)C ZINC001102088311 1300275050 /nfs/dbraw/zinc/27/50/50/1300275050.db2.gz RTSFOTMXQXZQSL-ATZDWAIDSA-N 2 0 342.487 2.083 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001277006573 1300778898 /nfs/dbraw/zinc/77/88/98/1300778898.db2.gz BMFNNJVSNYNBDM-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226564847 1301463356 /nfs/dbraw/zinc/46/33/56/1301463356.db2.gz QCOUVZOYASPAEY-RRFJBIMHSA-N 2 0 333.879 2.436 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227900826 1302002869 /nfs/dbraw/zinc/00/28/69/1302002869.db2.gz PNILMWXOIOYDTB-IAGOWNOFSA-N 2 0 337.508 2.080 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229502909 1302821084 /nfs/dbraw/zinc/82/10/84/1302821084.db2.gz BGWHXFIDQOQCSD-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001112183408 1304305329 /nfs/dbraw/zinc/30/53/29/1304305329.db2.gz HWOWAEQBHLMZTM-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCCCC1 ZINC001115571666 1305391805 /nfs/dbraw/zinc/39/18/05/1305391805.db2.gz JPYYMJALEXACIZ-SFHVURJKSA-N 2 0 349.519 2.225 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574750 1305405532 /nfs/dbraw/zinc/40/55/32/1305405532.db2.gz OBJFXFAIVWDHDM-UHFFFAOYSA-N 2 0 337.508 2.082 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC001120213308 1309387667 /nfs/dbraw/zinc/38/76/67/1309387667.db2.gz INQBCUWAFUZBGC-GOSISDBHSA-N 2 0 327.472 2.331 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422844 1309525199 /nfs/dbraw/zinc/52/51/99/1309525199.db2.gz PEPCGLLMRBCWGH-CVEARBPZSA-N 2 0 327.900 2.394 20 30 EEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001246306446 1310276597 /nfs/dbraw/zinc/27/65/97/1310276597.db2.gz WECOVOLQHCRBAR-SFHVURJKSA-N 2 0 337.423 2.453 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+]1CCCC1 ZINC001152473679 1316676868 /nfs/dbraw/zinc/67/68/68/1316676868.db2.gz XVFYDJQHPXWVHB-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362221 1316817482 /nfs/dbraw/zinc/81/74/82/1316817482.db2.gz KXPPABSKCFWDMM-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCOC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469006 1317609294 /nfs/dbraw/zinc/60/92/94/1317609294.db2.gz SZXPRCBMQYTRTN-PMACEKPBSA-N 2 0 330.472 2.148 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036621 1318979287 /nfs/dbraw/zinc/97/92/87/1318979287.db2.gz DQIAAMHZYWNSHK-VQTJNVASSA-N 2 0 339.483 2.008 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001158405198 1319223531 /nfs/dbraw/zinc/22/35/31/1319223531.db2.gz NYTRZASRMXQCDE-PKOBYXMFSA-N 2 0 342.487 2.090 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169209 1320088571 /nfs/dbraw/zinc/08/85/71/1320088571.db2.gz LDVHCGYFQJSLKN-RBUKOAKNSA-N 2 0 349.519 2.058 20 30 EEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161694423 1320590352 /nfs/dbraw/zinc/59/03/52/1320590352.db2.gz MZKSCOPSDBYTEK-UHFFFAOYSA-N 2 0 331.504 2.433 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001162928511 1320990310 /nfs/dbraw/zinc/99/03/10/1320990310.db2.gz JSVYKFMZAHPBBO-IBGZPJMESA-N 2 0 341.499 2.155 20 30 EEEDRP N#CN=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1ccncc1 ZINC001164516826 1321404325 /nfs/dbraw/zinc/40/43/25/1321404325.db2.gz DVSRSXMOQJCBNH-UHFFFAOYSA-N 2 0 348.454 2.401 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536537 1321411287 /nfs/dbraw/zinc/41/12/87/1321411287.db2.gz UNEACEGRCKFZNG-KRWDZBQOSA-N 2 0 327.513 2.162 20 30 EEEDRP C=CCCCCC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166930442 1321819460 /nfs/dbraw/zinc/81/94/60/1321819460.db2.gz FDQBWGRNTJMCRO-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203490555 1321894740 /nfs/dbraw/zinc/89/47/40/1321894740.db2.gz CIDMVFFTMFQSPN-OALUTQOASA-N 2 0 339.483 2.402 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318787 1322350853 /nfs/dbraw/zinc/35/08/53/1322350853.db2.gz RRUBLAWOKCWTDB-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207436303 1323972179 /nfs/dbraw/zinc/97/21/79/1323972179.db2.gz BJFPKINFAYSXSB-UHFFFAOYSA-N 2 0 335.492 2.487 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463816 1324511438 /nfs/dbraw/zinc/51/14/38/1324511438.db2.gz TVOZOECUWCLGPI-QGZVFWFLSA-N 2 0 330.476 2.455 20 30 EEEDRP C#CCCC[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001209267364 1324877637 /nfs/dbraw/zinc/87/76/37/1324877637.db2.gz ONIOHRPPVYCAEQ-VAMGGRTRSA-N 2 0 334.504 2.380 20 30 EEEDRP C#CCCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001209267656 1324878260 /nfs/dbraw/zinc/87/82/60/1324878260.db2.gz TXGDHKJYXYCGOE-UHFFFAOYSA-N 2 0 327.472 2.409 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC001335367478 1336367944 /nfs/dbraw/zinc/36/79/44/1336367944.db2.gz MTFIFMOMUOEBMH-ZWKOTPCHSA-N 2 0 348.487 2.095 20 30 EEEDRP C=C(C)C[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCCCC1 ZINC001115770181 1371705658 /nfs/dbraw/zinc/70/56/58/1371705658.db2.gz PHMCZJWPEHRILJ-UHFFFAOYSA-N 2 0 347.507 2.043 20 30 EEEDRP C[N@H+](CC(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001379881787 1380929506 /nfs/dbraw/zinc/92/95/06/1380929506.db2.gz SUJJAZCUIOPGSV-LJQANCHMSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001752274716 1406254658 /nfs/dbraw/zinc/25/46/58/1406254658.db2.gz NZPPDVRICUUDSE-LJQANCHMSA-N 2 0 337.483 2.193 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001392344677 1389997796 /nfs/dbraw/zinc/99/77/96/1389997796.db2.gz NUBCPPMOAPBWNC-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001392964851 1390263745 /nfs/dbraw/zinc/26/37/45/1390263745.db2.gz MPAZRDYKEOCPAE-MRXNPFEDSA-N 2 0 346.500 2.233 20 30 EEEDRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001400856430 1396667344 /nfs/dbraw/zinc/66/73/44/1396667344.db2.gz TWCXSEJVCOCMOO-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595446 1397465764 /nfs/dbraw/zinc/46/57/64/1397465764.db2.gz FVZUBVVGZBJFHM-RHSMWYFYSA-N 2 0 348.516 2.336 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1CC ZINC001754469535 1406914528 /nfs/dbraw/zinc/91/45/28/1406914528.db2.gz UXKUHWMBWZTQRO-RBUKOAKNSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Br)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402188404 1397821803 /nfs/dbraw/zinc/82/18/03/1397821803.db2.gz GGMYREVCMRFGNP-ZFWWWQNUSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001403407027 1399795286 /nfs/dbraw/zinc/79/52/86/1399795286.db2.gz OJFHQCJGXJYSDJ-CYBMUJFWSA-N 2 0 334.489 2.088 20 30 EEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001755071012 1407080207 /nfs/dbraw/zinc/08/02/07/1407080207.db2.gz YTKKLHIWRPWZGX-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001423104516 1400421664 /nfs/dbraw/zinc/42/16/64/1400421664.db2.gz NAKXOFASACUOHD-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205679 1407218585 /nfs/dbraw/zinc/21/85/85/1407218585.db2.gz WFPJFRPKPAWUHJ-WOJBJXKFSA-N 2 0 345.531 2.446 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001755520000 1407577687 /nfs/dbraw/zinc/57/76/87/1407577687.db2.gz FXHZPVTVYFAVOO-MRXNPFEDSA-N 2 0 340.471 2.029 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001755741038 1407800549 /nfs/dbraw/zinc/80/05/49/1407800549.db2.gz CZQDZTAALJNIMS-WOJBJXKFSA-N 2 0 341.499 2.059 20 30 EEEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001755901354 1407976439 /nfs/dbraw/zinc/97/64/39/1407976439.db2.gz ONDKPUXPGBHFBB-IBGZPJMESA-N 2 0 345.462 2.429 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001112448388 1410926034 /nfs/dbraw/zinc/92/60/34/1410926034.db2.gz SVLFNXOYOGXWKY-PXNSSMCTSA-N 2 0 336.439 2.190 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100730795 762060355 /nfs/dbraw/zinc/06/03/55/762060355.db2.gz PBGZAVYIWRUEDY-QQFBHYJXSA-N 2 0 327.900 2.488 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104622472 762067041 /nfs/dbraw/zinc/06/70/41/762067041.db2.gz YXUAMRFMRILXQJ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001075411085 759384770 /nfs/dbraw/zinc/38/47/70/759384770.db2.gz MSRHXFUGNHFPFD-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615801 761129869 /nfs/dbraw/zinc/12/98/69/761129869.db2.gz GSRHZXRBIGROCN-VQTJNVASSA-N 2 0 339.483 2.078 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C(C)(C)[C@@H]21 ZINC001087296342 761512574 /nfs/dbraw/zinc/51/25/74/761512574.db2.gz XRDQKAOSDIQBDV-KZNAEPCWSA-N 2 0 336.439 2.186 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311619 761586859 /nfs/dbraw/zinc/58/68/59/761586859.db2.gz RESZHEWFABYHOY-QRVBRYPASA-N 2 0 345.531 2.345 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994270 782736734 /nfs/dbraw/zinc/73/67/34/782736734.db2.gz ZPIFYBPMHSIRQT-HBFSDRIKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446350 769308070 /nfs/dbraw/zinc/30/80/70/769308070.db2.gz WGASMCDQYIKLBG-RBUKOAKNSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649166 773757962 /nfs/dbraw/zinc/75/79/62/773757962.db2.gz CPQOXCBSXWOYJB-ROUUACIJSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255830 774198543 /nfs/dbraw/zinc/19/85/43/774198543.db2.gz PNYWIDFGYAZWGA-HSALFYBXSA-N 2 0 343.515 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(=C)Cl)C2)CC1 ZINC000981542430 777627670 /nfs/dbraw/zinc/62/76/70/777627670.db2.gz UONMIXPXYVITPX-IAGOWNOFSA-N 2 0 337.895 2.101 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982013143 778866761 /nfs/dbraw/zinc/86/67/61/778866761.db2.gz MLCZWQONTDIYJP-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473650 779131469 /nfs/dbraw/zinc/13/14/69/779131469.db2.gz ZKNVJPSCQSVYJK-SESVDKBCSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807745 783531712 /nfs/dbraw/zinc/53/17/12/783531712.db2.gz DKMRBBWQIQPDLT-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481756 783837402 /nfs/dbraw/zinc/83/74/02/783837402.db2.gz WVKCIRVVTAOZNN-ROUUACIJSA-N 2 0 329.488 2.057 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197115 784030363 /nfs/dbraw/zinc/03/03/63/784030363.db2.gz ILYCSJRTVZDKDF-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204738 784055087 /nfs/dbraw/zinc/05/50/87/784055087.db2.gz AMUJLNTYVOGHOR-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243949 784175193 /nfs/dbraw/zinc/17/51/93/784175193.db2.gz FMZHYLCURZZJPC-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035247845 784187057 /nfs/dbraw/zinc/18/70/57/784187057.db2.gz PYEQHUWADHSLAE-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744181 784352537 /nfs/dbraw/zinc/35/25/37/784352537.db2.gz XJUMREANHYVIKX-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744179 784352915 /nfs/dbraw/zinc/35/29/15/784352915.db2.gz XJUMREANHYVIKX-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858088 784641189 /nfs/dbraw/zinc/64/11/89/784641189.db2.gz SGFWSEGWPBMIGM-IAGOWNOFSA-N 2 0 347.478 2.392 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980180 784905729 /nfs/dbraw/zinc/90/57/29/784905729.db2.gz MDTUYQXFSJTXPV-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035736815 785046696 /nfs/dbraw/zinc/04/66/96/785046696.db2.gz KGLYADXTFYDCIS-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299807 786233588 /nfs/dbraw/zinc/23/35/88/786233588.db2.gz DOFVMHKSOGAJJZ-KSSFIOAISA-N 2 0 325.472 2.212 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC000996713255 787247852 /nfs/dbraw/zinc/24/78/52/787247852.db2.gz RKGLDXHLCKKTRS-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644849 787966585 /nfs/dbraw/zinc/96/65/85/787966585.db2.gz IYTBUYDHVZVBPS-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859477 788823839 /nfs/dbraw/zinc/82/38/39/788823839.db2.gz WQBMCTFVZBAZFQ-YSTOQKLRSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000923288902 789317664 /nfs/dbraw/zinc/31/76/64/789317664.db2.gz MHWZDYVZKNFIBR-BPQIPLTHSA-N 2 0 348.487 2.223 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001091100123 789803105 /nfs/dbraw/zinc/80/31/05/789803105.db2.gz HQPFENOXYFWHCV-ACBHZAAOSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997431614 789902115 /nfs/dbraw/zinc/90/21/15/789902115.db2.gz QVPCTTYTKRDYEE-MRXNPFEDSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246673 790196492 /nfs/dbraw/zinc/19/64/92/790196492.db2.gz UQBAOJRACWBCAL-HFPIOELMSA-N 2 0 341.499 2.392 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001146341425 791214121 /nfs/dbraw/zinc/21/41/21/791214121.db2.gz YBSMPOCBXRQFTL-LSDHHAIUSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593103 791362296 /nfs/dbraw/zinc/36/22/96/791362296.db2.gz OANCNCJLFZTHQG-CABCVRRESA-N 2 0 348.466 2.410 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000171726294 791454056 /nfs/dbraw/zinc/45/40/56/791454056.db2.gz ONTKJIJJKIQJHB-UHFFFAOYSA-N 2 0 339.443 2.322 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000998309017 792526058 /nfs/dbraw/zinc/52/60/58/792526058.db2.gz BTZUKMMWSFWQGI-LSDHHAIUSA-N 2 0 347.425 2.417 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086953042 793090282 /nfs/dbraw/zinc/09/02/82/793090282.db2.gz XPCNQDZLZFFQKQ-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055451 793424460 /nfs/dbraw/zinc/42/44/60/793424460.db2.gz CGMRRKHYUNBGRU-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(-c4ccncc4)c3)CCC[C@H]12 ZINC000992353151 793776233 /nfs/dbraw/zinc/77/62/33/793776233.db2.gz RHHDJNFWBIDGHN-ICSRJNTNSA-N 2 0 349.438 2.017 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364980 793821917 /nfs/dbraw/zinc/82/19/17/793821917.db2.gz BNSOKQJIANWQNG-ICSRJNTNSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC000999347862 794338945 /nfs/dbraw/zinc/33/89/45/794338945.db2.gz MGNCAKCBJNOCNZ-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079299534 794536702 /nfs/dbraw/zinc/53/67/02/794536702.db2.gz VZEBOLAZZNCXCK-CGTJXYLNSA-N 2 0 333.451 2.236 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243502 794861842 /nfs/dbraw/zinc/86/18/42/794861842.db2.gz NDJIQZNOPQQROA-IAGOWNOFSA-N 2 0 345.487 2.442 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380329 795119339 /nfs/dbraw/zinc/11/93/39/795119339.db2.gz XTLVCPRAPIIJSW-RBUKOAKNSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001093412242 795153385 /nfs/dbraw/zinc/15/33/85/795153385.db2.gz YUVRAHXMPOYYMS-ZJRDLVKKSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842525 795425392 /nfs/dbraw/zinc/42/53/92/795425392.db2.gz QKVYPWFIDGEBIM-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108033956 796069585 /nfs/dbraw/zinc/06/95/85/796069585.db2.gz PSIZERCYSPNENR-LPHOPBHVSA-N 2 0 339.524 2.279 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456551 796266645 /nfs/dbraw/zinc/26/66/45/796266645.db2.gz ICSDPQICZQYOSA-QKNQBKEWSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551226 796426159 /nfs/dbraw/zinc/42/61/59/796426159.db2.gz CLUUCXFUYOLWIU-TZIWHRDSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276227 796635793 /nfs/dbraw/zinc/63/57/93/796635793.db2.gz PIZTYCTWKNYKLM-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993577221 796805521 /nfs/dbraw/zinc/80/55/21/796805521.db2.gz PUZWRFHMODJRNB-ZBFHGGJFSA-N 2 0 325.416 2.036 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054059894 796994375 /nfs/dbraw/zinc/99/43/75/796994375.db2.gz AFFFTBSIETZTNL-RTBURBONSA-N 2 0 327.472 2.057 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564377 806590026 /nfs/dbraw/zinc/59/00/26/806590026.db2.gz QWPILWZIXRIGQE-KXBFYZLASA-N 2 0 328.460 2.166 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+](C)C ZINC001175054755 797978989 /nfs/dbraw/zinc/97/89/89/797978989.db2.gz BKVGMAMORXFDOH-OAHLLOKOSA-N 2 0 348.466 2.414 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC001177331763 798867590 /nfs/dbraw/zinc/86/75/90/798867590.db2.gz LDCGOQRYLBJSET-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)c1c[nH+]ccc1N(C)C ZINC001177463064 798949042 /nfs/dbraw/zinc/94/90/42/798949042.db2.gz MIAAPZRPQQXNJY-UHFFFAOYSA-N 2 0 342.487 2.393 20 30 EEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001179592437 799998960 /nfs/dbraw/zinc/99/89/60/799998960.db2.gz BPBREKGNOVJZKM-UHFFFAOYSA-N 2 0 343.515 2.450 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755389 800894178 /nfs/dbraw/zinc/89/41/78/800894178.db2.gz PEQFVULKACNQNL-ISTRZQFTSA-N 2 0 327.900 2.153 20 30 EEEDRP C=CCC[C@@H](C)N1CCn2ncc(CNC(=O)[C@H](CC)[NH+](C)C)c2C1 ZINC001128498477 801271108 /nfs/dbraw/zinc/27/11/08/801271108.db2.gz DBRWDFQAYQXAKD-WBVHZDCISA-N 2 0 347.507 2.010 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001183076543 801445593 /nfs/dbraw/zinc/44/55/93/801445593.db2.gz JEYXULWOFMNARK-YLJYHZDGSA-N 2 0 333.520 2.204 20 30 EEEDRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001151361509 801764217 /nfs/dbraw/zinc/76/42/17/801764217.db2.gz JPFRWPPDMGUKCR-UHFFFAOYSA-N 2 0 345.462 2.149 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004525007 802294416 /nfs/dbraw/zinc/29/44/16/802294416.db2.gz ZCTPCBJMECYXKI-SFHVURJKSA-N 2 0 343.471 2.291 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004529209 802323889 /nfs/dbraw/zinc/32/38/89/802323889.db2.gz RCIJMZOYIONMFK-MOPGFXCFSA-N 2 0 346.519 2.335 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004549382 802351037 /nfs/dbraw/zinc/35/10/37/802351037.db2.gz YOERFWNGTGKMAP-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004549331 802351406 /nfs/dbraw/zinc/35/14/06/802351406.db2.gz XHBXTKVIKTXQHC-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004549336 802351712 /nfs/dbraw/zinc/35/17/12/802351712.db2.gz XHBXTKVIKTXQHC-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946677505 802801667 /nfs/dbraw/zinc/80/16/67/802801667.db2.gz CZGQJSGXMVLJDT-CALCHBBNSA-N 2 0 336.439 2.142 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001108764690 804487247 /nfs/dbraw/zinc/48/72/47/804487247.db2.gz TZFOXFWSOHQPCW-UFYCRDLUSA-N 2 0 341.499 2.316 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086658949 812428459 /nfs/dbraw/zinc/42/84/59/812428459.db2.gz GANLJVZCHUAMFP-KFKAGJAMSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131453873 812853901 /nfs/dbraw/zinc/85/39/01/812853901.db2.gz BPIUWRFNGFRFGQ-QRVBRYPASA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444373173 1098946607 /nfs/dbraw/zinc/94/66/07/1098946607.db2.gz CTDJQEUTCGADPH-KRWDZBQOSA-N 2 0 342.487 2.132 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccccc2C#N)CC1 ZINC001506965469 1115015500 /nfs/dbraw/zinc/01/55/00/1115015500.db2.gz LZTNRHPNQHLIIC-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000297745347 465268005 /nfs/dbraw/zinc/26/80/05/465268005.db2.gz JYMSJDQCHUAFBN-INIZCTEOSA-N 2 0 348.516 2.139 20 30 EEEDRP N#CC1(CCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CCOCC1 ZINC000590600293 468283343 /nfs/dbraw/zinc/28/33/43/468283343.db2.gz MVRTVBJYAUREIX-GOSISDBHSA-N 2 0 335.492 2.274 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877118 462649226 /nfs/dbraw/zinc/64/92/26/462649226.db2.gz GBYZBKKPDQKHID-SFHVURJKSA-N 2 0 348.535 2.400 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000068085234 463090962 /nfs/dbraw/zinc/09/09/62/463090962.db2.gz IKTVZSYIXVXXAS-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898241 463892318 /nfs/dbraw/zinc/89/23/18/463892318.db2.gz VKJPAFJKKAMBPT-MAUKXSAKSA-N 2 0 326.448 2.211 20 30 EEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCOc2ccccc21 ZINC000262849903 464049861 /nfs/dbraw/zinc/04/98/61/464049861.db2.gz SFVZUOFWJHMAAU-RDJZCZTQSA-N 2 0 328.460 2.431 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)[nH]c2ccccc21 ZINC000264300843 464293161 /nfs/dbraw/zinc/29/31/61/464293161.db2.gz RTZJIISYJYWCEJ-OAHLLOKOSA-N 2 0 327.476 2.407 20 30 EEEDRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605892 464390831 /nfs/dbraw/zinc/39/08/31/464390831.db2.gz HEZWQDTWUATXTC-SFHVURJKSA-N 2 0 331.460 2.104 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677288 464519812 /nfs/dbraw/zinc/51/98/12/464519812.db2.gz IEXSWCFECOXICN-SJLPKXTDSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677309 464520259 /nfs/dbraw/zinc/52/02/59/464520259.db2.gz IEXSWCFECOXICN-WMZOPIPTSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000267452695 464933825 /nfs/dbraw/zinc/93/38/25/464933825.db2.gz RXBBOZSCJOTYRG-INIZCTEOSA-N 2 0 348.491 2.025 20 30 EEEDRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000329693697 465408001 /nfs/dbraw/zinc/40/80/01/465408001.db2.gz AVKSPWMBCZKZEG-UHFFFAOYSA-N 2 0 337.423 2.493 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000424139546 466987780 /nfs/dbraw/zinc/98/77/80/466987780.db2.gz APUTXZVTFNKPTP-GOSISDBHSA-N 2 0 328.460 2.036 20 30 EEEDRP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)ccc1C#N ZINC000487894746 468058574 /nfs/dbraw/zinc/05/85/74/468058574.db2.gz HTGMNNIFTASAJN-UHFFFAOYSA-N 2 0 335.455 2.303 20 30 EEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000611392007 469240225 /nfs/dbraw/zinc/24/02/25/469240225.db2.gz IJPFZGFBKLJUSW-MJGOQNOKSA-N 2 0 340.471 2.113 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)C(C)C ZINC000105139762 527648197 /nfs/dbraw/zinc/64/81/97/527648197.db2.gz MHFUUBGMRADOPC-GOSISDBHSA-N 2 0 336.524 2.326 20 30 EEEDRP N#CCCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127955 577513558 /nfs/dbraw/zinc/51/35/58/577513558.db2.gz GGQAMJODDTUGTH-RTBURBONSA-N 2 0 340.471 2.003 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001020396427 674608570 /nfs/dbraw/zinc/60/85/70/674608570.db2.gz TVJFVKLKZSBSSE-IYARVYRRSA-N 2 0 345.406 2.257 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC)CC1 ZINC001021469422 676117714 /nfs/dbraw/zinc/11/77/14/676117714.db2.gz CKLBCRIATJVNMR-YQQQUEKLSA-N 2 0 331.504 2.243 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001024999466 681698795 /nfs/dbraw/zinc/69/87/95/681698795.db2.gz WNQGEQYVFQCLRD-RTBURBONSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590772 683051411 /nfs/dbraw/zinc/05/14/11/683051411.db2.gz RMPXSRWIMPAWPW-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978800543 693903036 /nfs/dbraw/zinc/90/30/36/693903036.db2.gz RQSGJQYQXGODEH-WCXIOVBPSA-N 2 0 339.911 2.296 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262620025 687604440 /nfs/dbraw/zinc/60/44/40/687604440.db2.gz CLZBKEIHGSVFOA-KSZLIROESA-N 2 0 348.535 2.349 20 30 EEEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262793374 688479208 /nfs/dbraw/zinc/47/92/08/688479208.db2.gz OZSFXSFRTYPUQG-BBWFWOEESA-N 2 0 336.524 2.229 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262829450 688552464 /nfs/dbraw/zinc/55/24/64/688552464.db2.gz RDLNOGVOVZKFSS-TYNCELHUSA-N 2 0 340.393 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027446915 692113203 /nfs/dbraw/zinc/11/32/03/692113203.db2.gz XJQUNIJULPTDET-OALUTQOASA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000943645553 1192435948 /nfs/dbraw/zinc/43/59/48/1192435948.db2.gz FGUNHIQOTYKYBB-SJLPKXTDSA-N 2 0 338.455 2.035 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107034076 1192837356 /nfs/dbraw/zinc/83/73/56/1192837356.db2.gz HMSBXOPUXYBNGW-SJLPKXTDSA-N 2 0 327.472 2.069 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001481749141 1182530963 /nfs/dbraw/zinc/53/09/63/1182530963.db2.gz OVLVHMGDXBNKMA-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC(=C)C)C2)CC1 ZINC001088430725 1186867718 /nfs/dbraw/zinc/86/77/18/1186867718.db2.gz WUTHONIGWKVHNP-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001105439049 1187121169 /nfs/dbraw/zinc/12/11/69/1187121169.db2.gz XFEJAJPVOMSJAF-CMKODMSKSA-N 2 0 329.488 2.319 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001105479007 1188086760 /nfs/dbraw/zinc/08/67/60/1188086760.db2.gz JFZWBIPFSIPZQP-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544161 1188157255 /nfs/dbraw/zinc/15/72/55/1188157255.db2.gz CDWUBUXMZRQHEN-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574592 1188188605 /nfs/dbraw/zinc/18/86/05/1188188605.db2.gz BQBFLUWQPVVBQE-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccccc1C#N ZINC001485896318 1193631605 /nfs/dbraw/zinc/63/16/05/1193631605.db2.gz WHKQCCUHNKYZEA-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120446 1193687699 /nfs/dbraw/zinc/68/76/99/1193687699.db2.gz AXIQISRSWACGLT-KBPBESRZSA-N 2 0 334.489 2.041 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396239 1196186013 /nfs/dbraw/zinc/18/60/13/1196186013.db2.gz DUSXRCHNWPRIQK-LPHOPBHVSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476521 1196266296 /nfs/dbraw/zinc/26/62/96/1196266296.db2.gz DWMROADDKFNQLD-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034539258 1196363035 /nfs/dbraw/zinc/36/30/35/1196363035.db2.gz ZSVBJIAFUUIZTR-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425510 1199714989 /nfs/dbraw/zinc/71/49/89/1199714989.db2.gz IXHNVPCQLORLJN-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001132969790 1200238699 /nfs/dbraw/zinc/23/86/99/1200238699.db2.gz ICXVLDPYMCKBLQ-JKSUJKDBSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC(C)C)C2)CC1 ZINC001133337089 1200761215 /nfs/dbraw/zinc/76/12/15/1200761215.db2.gz INNBNZYFNRFYPQ-PKOBYXMFSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001133393033 1200851314 /nfs/dbraw/zinc/85/13/14/1200851314.db2.gz YOGKEEIRHHTHKN-GOSISDBHSA-N 2 0 347.890 2.376 20 30 EEEDRP C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001274493084 1205057393 /nfs/dbraw/zinc/05/73/93/1205057393.db2.gz ZVKXNHLUCUWVAX-HXUWFJFHSA-N 2 0 345.462 2.498 20 30 EEEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001275588370 1205432778 /nfs/dbraw/zinc/43/27/78/1205432778.db2.gz BLQLIXVWDGGKJQ-UHFFFAOYSA-N 2 0 332.517 2.469 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001276127265 1205790183 /nfs/dbraw/zinc/79/01/83/1205790183.db2.gz CRNDMSUHDAMMGV-PBHICJAKSA-N 2 0 332.879 2.279 20 30 EEEDRP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000155814365 1208336530 /nfs/dbraw/zinc/33/65/30/1208336530.db2.gz XRGPIJDEZAZSFH-ZDUSSCGKSA-N 2 0 335.496 2.467 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccccc1F ZINC000303780763 1213905276 /nfs/dbraw/zinc/90/52/76/1213905276.db2.gz LPEYDWARASYYNC-HNNXBMFYSA-N 2 0 338.496 2.448 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793036 1213905904 /nfs/dbraw/zinc/90/59/04/1213905904.db2.gz YVVAVDSCTJXGKV-RBUKOAKNSA-N 3 0 343.519 2.212 20 30 EEEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000303867129 1213915776 /nfs/dbraw/zinc/91/57/76/1213915776.db2.gz CQGCJBOKVLEXSB-QGZVFWFLSA-N 2 0 349.910 2.117 20 30 EEEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000303873570 1213915917 /nfs/dbraw/zinc/91/59/17/1213915917.db2.gz CNOOWOGTICTPFB-GOSISDBHSA-N 2 0 343.519 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000957422170 1215114990 /nfs/dbraw/zinc/11/49/90/1215114990.db2.gz MBKNJQZQQHYXIG-UHFFFAOYSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(=C)C)CC2 ZINC000957561144 1215211903 /nfs/dbraw/zinc/21/19/03/1215211903.db2.gz GLKSEXDVQLBFPG-IBGZPJMESA-N 2 0 343.515 2.365 20 30 EEEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304740569 1216102415 /nfs/dbraw/zinc/10/24/15/1216102415.db2.gz BSNDJQYPMJKZFX-ZDUSSCGKSA-N 2 0 344.381 2.331 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000961364907 1217159361 /nfs/dbraw/zinc/15/93/61/1217159361.db2.gz BDOFTKOLAABZSG-SLFFLAALSA-N 2 0 345.531 2.301 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000961991576 1217440306 /nfs/dbraw/zinc/44/03/06/1217440306.db2.gz FVCJDUOSCHKXLT-CTWPCTMYSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963962122 1218156131 /nfs/dbraw/zinc/15/61/31/1218156131.db2.gz ZURDTXBKANPOIA-FCOWATRHSA-N 2 0 343.515 2.291 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001037942452 1220579808 /nfs/dbraw/zinc/57/98/08/1220579808.db2.gz UCTSXKXCKVUYNK-HKUYNNGSSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000968890535 1221649555 /nfs/dbraw/zinc/64/95/55/1221649555.db2.gz JYBKSSKDQIRKNP-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016878715 1226939940 /nfs/dbraw/zinc/93/99/40/1226939940.db2.gz YPXRQAMUHKMHAZ-IBGZPJMESA-N 2 0 339.483 2.356 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016878778 1226940208 /nfs/dbraw/zinc/94/02/08/1226940208.db2.gz ZWDDHJAAVPNNRJ-LJQANCHMSA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039132586 1230341353 /nfs/dbraw/zinc/34/13/53/1230341353.db2.gz AJZZPMQXBKYSBU-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132386 1230341580 /nfs/dbraw/zinc/34/15/80/1230341580.db2.gz JGJNYTZQPAGOED-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039138921 1230353476 /nfs/dbraw/zinc/35/34/76/1230353476.db2.gz YRXSUMACSDDFIH-WOJBJXKFSA-N 2 0 345.531 2.158 20 30 EEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165894 1230388567 /nfs/dbraw/zinc/38/85/67/1230388567.db2.gz ULDPFDCMFXNMQW-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173471 1230399551 /nfs/dbraw/zinc/39/95/51/1230399551.db2.gz XJAFPNXOQVEHKS-IAGOWNOFSA-N 2 0 339.911 2.251 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039299089 1230515586 /nfs/dbraw/zinc/51/55/86/1230515586.db2.gz SUEQDINQOIICFY-QBUWPKIASA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039308964 1230520025 /nfs/dbraw/zinc/52/00/25/1230520025.db2.gz AUXVTJFFHIZKHJ-IHWFROFDSA-N 2 0 339.483 2.497 20 30 EEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039437771 1230610027 /nfs/dbraw/zinc/61/00/27/1230610027.db2.gz XICOKQZJMMHPIO-JTDSTZFVSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474308 1230638330 /nfs/dbraw/zinc/63/83/30/1230638330.db2.gz AWAIYXRIJZFHDC-CEXWTWQISA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313567 1231164373 /nfs/dbraw/zinc/16/43/73/1231164373.db2.gz LLBORBJCBRMQAU-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464154 1231247426 /nfs/dbraw/zinc/24/74/26/1231247426.db2.gz LYLCIGIGRCJENP-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=C)C)C3)CC1 ZINC001040543323 1231284412 /nfs/dbraw/zinc/28/44/12/1231284412.db2.gz ORTLAGAJENCERA-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCC(C)C)C3)C2)CC1 ZINC001041844149 1231727562 /nfs/dbraw/zinc/72/75/62/1231727562.db2.gz DRUMEWKEHMKGPA-NRFANRHFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123439 1231904034 /nfs/dbraw/zinc/90/40/34/1231904034.db2.gz SEOICNJRJCAKOW-VQIMIIECSA-N 2 0 336.439 2.202 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308557 1232019639 /nfs/dbraw/zinc/01/96/39/1232019639.db2.gz WMBLQNZIBDTIMS-AZUAARDMSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368460 1232050096 /nfs/dbraw/zinc/05/00/96/1232050096.db2.gz QMEMAHAAXRLMLV-YLJYHZDGSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044745637 1233230449 /nfs/dbraw/zinc/23/04/49/1233230449.db2.gz YBAUAAMVOXEHOT-VQIMIIECSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047263199 1235773319 /nfs/dbraw/zinc/77/33/19/1235773319.db2.gz BKTYRABIJSNUIY-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525112 1237861348 /nfs/dbraw/zinc/86/13/48/1237861348.db2.gz LLZSHGJAZSZEDA-FSGKZVOOSA-N 2 0 343.515 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001000993049 1241399794 /nfs/dbraw/zinc/39/97/94/1241399794.db2.gz PRBLEQSOKYXUBF-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561747 1241424967 /nfs/dbraw/zinc/42/49/67/1241424967.db2.gz QATOXWVWEOIXAL-OALUTQOASA-N 2 0 336.439 2.345 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049666223 1241818210 /nfs/dbraw/zinc/81/82/10/1241818210.db2.gz XTKRHFZXJPIQGL-GBESFXJTSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C[C@H](C)CC)C[C@H]32)CC1 ZINC001050208378 1243124963 /nfs/dbraw/zinc/12/49/63/1243124963.db2.gz JECPAQXRYATTJE-YZGWKJHDSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521986 1243776054 /nfs/dbraw/zinc/77/60/54/1243776054.db2.gz XTUNKCAZCCBHKQ-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050542257 1243813766 /nfs/dbraw/zinc/81/37/66/1243813766.db2.gz BGJDAIHOIVMIKX-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052704108 1244790613 /nfs/dbraw/zinc/79/06/13/1244790613.db2.gz ZSPNKBIXQVDUNC-MAUKXSAKSA-N 2 0 325.472 2.356 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3C)cccc2C1 ZINC001051283880 1245477017 /nfs/dbraw/zinc/47/70/17/1245477017.db2.gz PZBQHBPCBHGJLF-IBGZPJMESA-N 2 0 327.472 2.331 20 30 EEEDRP C#CC[N@H+]1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051293459 1245492200 /nfs/dbraw/zinc/49/22/00/1245492200.db2.gz RALCEIUMFFZFEA-UHFFFAOYSA-N 2 0 344.418 2.256 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290550 1245618590 /nfs/dbraw/zinc/61/85/90/1245618590.db2.gz YBORYSALRSTQAE-MJGOQNOKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053038708 1245740435 /nfs/dbraw/zinc/74/04/35/1245740435.db2.gz ANYNMPPONIXXGB-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051334 1245772876 /nfs/dbraw/zinc/77/28/76/1245772876.db2.gz NWRAZBOGLTUEES-OALUTQOASA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001101568093 1245970565 /nfs/dbraw/zinc/97/05/65/1245970565.db2.gz NBDHFNFUBSURFX-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)O2 ZINC001053651733 1246592312 /nfs/dbraw/zinc/59/23/12/1246592312.db2.gz KDBYTQAGJZUOJN-OKZBNKHCSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380965 1247160865 /nfs/dbraw/zinc/16/08/65/1247160865.db2.gz GUYVRUSWUCPUDE-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657977 1247792612 /nfs/dbraw/zinc/79/26/12/1247792612.db2.gz BWLDIJNIZPCDPK-JYJNAYRXSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245603 1247866341 /nfs/dbraw/zinc/86/63/41/1247866341.db2.gz WNECTLUGHDKEDB-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353625 1258096013 /nfs/dbraw/zinc/09/60/13/1258096013.db2.gz DQFZFTMZXWYLER-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522960 1258190069 /nfs/dbraw/zinc/19/00/69/1258190069.db2.gz XSNIHNWXXCWDFZ-MANSERQUSA-N 2 0 345.531 2.463 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299273 1278317407 /nfs/dbraw/zinc/31/74/07/1278317407.db2.gz VDDVXNTVVZUKFS-QWHCGFSZSA-N 2 0 346.313 2.110 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185518387 1278685159 /nfs/dbraw/zinc/68/51/59/1278685159.db2.gz YQHJNVLUXDGGPH-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916665 1282234496 /nfs/dbraw/zinc/23/44/96/1282234496.db2.gz BKDITQFOHWNETK-MSOLQXFVSA-N 2 0 339.524 2.088 20 30 EEEDRP C=CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711414 1283885358 /nfs/dbraw/zinc/88/53/58/1283885358.db2.gz CWGUTUCJOJVMJZ-FPOVZHCZSA-N 2 0 341.499 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001152330203 1284547298 /nfs/dbraw/zinc/54/72/98/1284547298.db2.gz IREDEEJAWVISPD-UHFFFAOYSA-N 2 0 349.478 2.391 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198959404 1285442771 /nfs/dbraw/zinc/44/27/71/1285442771.db2.gz AQBFMHLITOGRGL-SJLPKXTDSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CCC)c1ccccc1OC ZINC001198968998 1285451249 /nfs/dbraw/zinc/45/12/49/1285451249.db2.gz RCVMGXPZZXFDSX-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198985542 1285474083 /nfs/dbraw/zinc/47/40/83/1285474083.db2.gz ZPZYPWAURCQHHP-AEFFLSMTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202133350 1289926485 /nfs/dbraw/zinc/92/64/85/1289926485.db2.gz FHZPNZQXWPIEBD-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CCCCNC(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219634105 1298093194 /nfs/dbraw/zinc/09/31/94/1298093194.db2.gz NYFOVQZHUJAERH-TZIWHRDSSA-N 2 0 339.483 2.018 20 30 EEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1cccc2C#N ZINC001220596939 1298469297 /nfs/dbraw/zinc/46/92/97/1298469297.db2.gz OOOQFKYXEDESPH-ZWKOTPCHSA-N 2 0 328.460 2.157 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114351 1298664369 /nfs/dbraw/zinc/66/43/69/1298664369.db2.gz WNGYNZYBYJMCCH-KRWDZBQOSA-N 2 0 344.503 2.283 20 30 EEEDRP C=CCCCCN1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001276888064 1300118879 /nfs/dbraw/zinc/11/88/79/1300118879.db2.gz SEPJQCZCVTUAQV-UHFFFAOYSA-N 2 0 346.475 2.213 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C/CC)CC1 ZINC001223495443 1300153898 /nfs/dbraw/zinc/15/38/98/1300153898.db2.gz PHNUEGKGEITUEE-UEKDZROGSA-N 2 0 331.504 2.269 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001102473989 1301117780 /nfs/dbraw/zinc/11/77/80/1301117780.db2.gz ZPLUSLFKRTYPMJ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227047198 1301664058 /nfs/dbraw/zinc/66/40/58/1301664058.db2.gz BZXUISXNWGPZOW-MGPQQGTHSA-N 2 0 346.313 2.252 20 30 EEEDRP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359169 1302808196 /nfs/dbraw/zinc/80/81/96/1302808196.db2.gz MYNGNJVRJPYMAQ-GUDVDZBRSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCc2sccc2C1 ZINC001230242958 1303124790 /nfs/dbraw/zinc/12/47/90/1303124790.db2.gz JHVPZSUEULGSIQ-IAGOWNOFSA-N 2 0 345.512 2.147 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821417 1303942387 /nfs/dbraw/zinc/94/23/87/1303942387.db2.gz UFSHOEUOQDBHMQ-PXNSSMCTSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154751 1304282973 /nfs/dbraw/zinc/28/29/73/1304282973.db2.gz ZYRQRGKMBMYUDR-ZIAGYGMSSA-N 2 0 347.425 2.273 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112158140 1304284653 /nfs/dbraw/zinc/28/46/53/1304284653.db2.gz VLHOFLMGTJELKZ-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001112378858 1304507624 /nfs/dbraw/zinc/50/76/24/1304507624.db2.gz GZNRNNHFYODGJW-LPHOPBHVSA-N 2 0 345.512 2.275 20 30 EEEDRP C=CCC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCCCC1 ZINC001115795552 1305795082 /nfs/dbraw/zinc/79/50/82/1305795082.db2.gz LEEPCIFLODNWHQ-UHFFFAOYSA-N 2 0 337.508 2.082 20 30 EEEDRP N#Cc1cc(-c2ccccc2CN2CC[C@@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001240360617 1309312210 /nfs/dbraw/zinc/31/22/10/1309312210.db2.gz JAQLKNZHWOQIRL-HXUWFJFHSA-N 2 0 332.451 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421948 1309524005 /nfs/dbraw/zinc/52/40/05/1309524005.db2.gz GVNAFBMZANJDRV-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120430923 1309533421 /nfs/dbraw/zinc/53/34/21/1309533421.db2.gz OJGPFMIGXUWYHC-ZWKOTPCHSA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001121189513 1309946624 /nfs/dbraw/zinc/94/66/24/1309946624.db2.gz QDIDNNRYSUNCOA-LETWWHAPSA-N 2 0 345.890 2.436 20 30 EEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001121333444 1309984028 /nfs/dbraw/zinc/98/40/28/1309984028.db2.gz KNOBRDGQEUVPDN-UHFFFAOYSA-N 2 0 328.460 2.111 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246310477 1310278246 /nfs/dbraw/zinc/27/82/46/1310278246.db2.gz GSSSFAKTYFFEOK-QYZOEREBSA-N 2 0 345.487 2.296 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847708 1316065773 /nfs/dbraw/zinc/06/57/73/1316065773.db2.gz HVXYRAFTEOJSTK-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001153802926 1316886971 /nfs/dbraw/zinc/88/69/71/1316886971.db2.gz NHLGQFYFQLQAOF-AEFFLSMTSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253243796 1317807363 /nfs/dbraw/zinc/80/73/63/1317807363.db2.gz ZQMRCHQOWYWYDO-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576959 1317884853 /nfs/dbraw/zinc/88/48/53/1317884853.db2.gz JDIHHBIFTIOZJA-JKSUJKDBSA-N 2 0 336.501 2.350 20 30 EEEDRP CC[NH+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199685 1317917085 /nfs/dbraw/zinc/91/70/85/1317917085.db2.gz FFZYMFPMXSHLJT-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC001158072818 1318995479 /nfs/dbraw/zinc/99/54/79/1318995479.db2.gz DNSAIRBOMAEWAY-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162983045 1321005070 /nfs/dbraw/zinc/00/50/70/1321005070.db2.gz XPUJBFXPCUIYDW-UHFFFAOYSA-N 2 0 343.515 2.403 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203739932 1321951458 /nfs/dbraw/zinc/95/14/58/1321951458.db2.gz AHEGIVZFOMVYKP-ZWKOTPCHSA-N 2 0 331.504 2.293 20 30 EEEDRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001265023192 1322867405 /nfs/dbraw/zinc/86/74/05/1322867405.db2.gz YPGULGFSGJJUKF-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001205502148 1323166513 /nfs/dbraw/zinc/16/65/13/1323166513.db2.gz HUEQBKLOASATGE-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP COc1ccccc1N1[NH2+]C=CC1=CN=NC(=O)C[n+]1ccccc1 ZINC001321133920 1333027282 /nfs/dbraw/zinc/02/72/82/1333027282.db2.gz UZBAVOLMPKRIRV-UHFFFAOYSA-O 2 0 336.375 2.341 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520951 1352861901 /nfs/dbraw/zinc/86/19/01/1352861901.db2.gz QMIIKDZPTMTGQH-IRXDYDNUSA-N 2 0 331.460 2.008 20 30 EEEDRP C=CCc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001138627282 1372405044 /nfs/dbraw/zinc/40/50/44/1372405044.db2.gz BQQQUJRMFCWQGW-RBUKOAKNSA-N 2 0 329.488 2.331 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001370079450 1374789821 /nfs/dbraw/zinc/78/98/21/1374789821.db2.gz MWNBVGSAPOFHAC-LSDHHAIUSA-N 2 0 327.900 2.296 20 30 EEEDRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001371795720 1375636365 /nfs/dbraw/zinc/63/63/65/1375636365.db2.gz ZRMZSMFOFYASPO-CQSZACIVSA-N 2 0 346.500 2.233 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1)[NH+](C)C ZINC001378707648 1380160853 /nfs/dbraw/zinc/16/08/53/1380160853.db2.gz DZRBOESWUWZGFP-INIZCTEOSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001379169113 1380611350 /nfs/dbraw/zinc/61/13/50/1380611350.db2.gz JCZHDWBXGHAAQJ-HOTGVXAUSA-N 2 0 327.900 2.489 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001379905670 1380939996 /nfs/dbraw/zinc/93/99/96/1380939996.db2.gz BAHQFMXKQWAZQC-SJORKVTESA-N 2 0 348.516 2.190 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001392013449 1389769865 /nfs/dbraw/zinc/76/98/65/1389769865.db2.gz VWNUDRNRGRYDET-CYBMUJFWSA-N 2 0 346.313 2.254 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001392619719 1390120374 /nfs/dbraw/zinc/12/03/74/1390120374.db2.gz PJDWQPOHPGFOBI-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001393605368 1390489837 /nfs/dbraw/zinc/48/98/37/1390489837.db2.gz WPNPEOZCKYGOQC-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001399244264 1394872589 /nfs/dbraw/zinc/87/25/89/1394872589.db2.gz JWZPUCVUYOLSJI-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001402247157 1397894480 /nfs/dbraw/zinc/89/44/80/1397894480.db2.gz IIKHUJPJKGURIS-OAHLLOKOSA-N 2 0 325.884 2.194 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754865599 1406970464 /nfs/dbraw/zinc/97/04/64/1406970464.db2.gz OBFCIPRRIDWRGI-IPMKNSEASA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001423305342 1400510346 /nfs/dbraw/zinc/51/03/46/1400510346.db2.gz FFUMEKFTKIYKKU-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205676 1407219667 /nfs/dbraw/zinc/21/96/67/1407219667.db2.gz WFPJFRPKPAWUHJ-PMACEKPBSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755445749 1407459915 /nfs/dbraw/zinc/45/99/15/1407459915.db2.gz QEOCZLKHFSBSBR-SJORKVTESA-N 2 0 339.524 2.136 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112396848 1410896455 /nfs/dbraw/zinc/89/64/55/1410896455.db2.gz HCRIIKOYFNNQCT-DYXWJJEUSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791173 782256519 /nfs/dbraw/zinc/25/65/19/782256519.db2.gz ZPXSCRXVVZYBPN-RBUKOAKNSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(C)C3)[C@@H]2CC)CC1 ZINC001087839928 782347589 /nfs/dbraw/zinc/34/75/89/782347589.db2.gz APMCXMULKIBNCH-ZYKFHVCXSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112514844 760799509 /nfs/dbraw/zinc/79/95/09/760799509.db2.gz MBYRTBDUZYCTHE-DYXWJJEUSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112514845 760799953 /nfs/dbraw/zinc/79/99/53/760799953.db2.gz MBYRTBDUZYCTHE-ZJOUEHCJSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167711039 764586311 /nfs/dbraw/zinc/58/63/11/764586311.db2.gz OQTBSTCQZSTSCL-SFHVURJKSA-N 2 0 327.472 2.189 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473060 769617137 /nfs/dbraw/zinc/61/71/37/769617137.db2.gz QSMKNSLHIILPLL-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509070 770001816 /nfs/dbraw/zinc/00/18/16/770001816.db2.gz DRKZIKOGXIKQQG-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979715793 770939536 /nfs/dbraw/zinc/93/95/36/770939536.db2.gz RXSKNNYOTVBTOA-GBESFXJTSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942721464 783053531 /nfs/dbraw/zinc/05/35/31/783053531.db2.gz LFFIRYOFIDWBEL-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210394 783061338 /nfs/dbraw/zinc/06/13/38/783061338.db2.gz JNZKLYWLFHTPEA-UXHICEINSA-N 2 0 339.483 2.165 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212756 783065768 /nfs/dbraw/zinc/06/57/68/783065768.db2.gz NWXGQYPHNPKIIZ-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220508 774112126 /nfs/dbraw/zinc/11/21/26/774112126.db2.gz ZUMVMTWUPMDDBL-ULQDDVLXSA-N 2 0 340.471 2.001 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089870020 783166815 /nfs/dbraw/zinc/16/68/15/783166815.db2.gz PLKUETWDIFKYMO-MUGJNUQGSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C ZINC001027940562 774731564 /nfs/dbraw/zinc/73/15/64/774731564.db2.gz OACZFUYEACNFLB-PMACEKPBSA-N 2 0 339.483 2.173 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997587552 790356738 /nfs/dbraw/zinc/35/67/38/790356738.db2.gz VEUGRXWVHQONHV-HKUYNNGSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018261 776189294 /nfs/dbraw/zinc/18/92/94/776189294.db2.gz PQVHGXPPHNSBLY-QGZVFWFLSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000939507842 776739297 /nfs/dbraw/zinc/73/92/97/776739297.db2.gz UTYFSJMLXUIUJD-DYVFJYSZSA-N 2 0 339.911 2.297 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861120 778408573 /nfs/dbraw/zinc/40/85/73/778408573.db2.gz CIJINEKTVQPDAJ-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2C2(C=C3)CC[NH2+]CC2)cc1 ZINC001171256159 790683420 /nfs/dbraw/zinc/68/34/20/790683420.db2.gz HZCCWZAAYQFUBA-UHFFFAOYSA-N 2 0 346.434 2.471 20 30 EEEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@]2(C)C1 ZINC000982311859 779685082 /nfs/dbraw/zinc/68/50/82/779685082.db2.gz LYDSIFGMSIJBQC-AHRSYUTCSA-N 2 0 342.487 2.192 20 30 EEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475455 780524717 /nfs/dbraw/zinc/52/47/17/780524717.db2.gz NCRARQGJRFNDLD-QGZVKYPTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005772099 783778090 /nfs/dbraw/zinc/77/80/90/783778090.db2.gz GVQHCVQAJXJFFL-UHFFFAOYSA-N 2 0 341.499 2.350 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212743 784131762 /nfs/dbraw/zinc/13/17/62/784131762.db2.gz NIAKUMDSCCZLHR-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744182 784352365 /nfs/dbraw/zinc/35/23/65/784352365.db2.gz XJUMREANHYVIKX-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720595 785014956 /nfs/dbraw/zinc/01/49/56/785014956.db2.gz LBKJKGCSAVFJKA-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCC(=C)C)C3)CC2)CC1 ZINC001035855878 785294466 /nfs/dbraw/zinc/29/44/66/785294466.db2.gz BHMGFBPCGZNEQA-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996728491 787318089 /nfs/dbraw/zinc/31/80/89/787318089.db2.gz KHSYWFATZQOYNN-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP CCOCCC[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912499161 788211235 /nfs/dbraw/zinc/21/12/35/788211235.db2.gz MVBMBOKGEDWGJU-MRXNPFEDSA-N 2 0 326.529 2.477 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997168146 789316629 /nfs/dbraw/zinc/31/66/29/789316629.db2.gz CHGHCRDMSKJJAU-QGZVFWFLSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC3CCCC3)CC2)CC1 ZINC000997364442 789734793 /nfs/dbraw/zinc/73/47/93/789734793.db2.gz MYQAETMQVIOFPU-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267488 790223752 /nfs/dbraw/zinc/22/37/52/790223752.db2.gz NDTIMGULEJYQAL-GPANFISMSA-N 2 0 327.900 2.486 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001146341447 791213527 /nfs/dbraw/zinc/21/35/27/791213527.db2.gz YMGSNYHYKHAQHJ-QZTJIDSGSA-N 2 0 327.472 2.007 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591913 791360547 /nfs/dbraw/zinc/36/05/47/791360547.db2.gz IGGYIWHIYFLMLF-HZPDHXFCSA-N 2 0 330.476 2.271 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001146610152 791373907 /nfs/dbraw/zinc/37/39/07/791373907.db2.gz IACMCRWXUBWDRV-CVEARBPZSA-N 2 0 347.528 2.466 20 30 EEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009341 791826030 /nfs/dbraw/zinc/82/60/30/791826030.db2.gz WNIAFQVDLVHSRI-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021772 791845994 /nfs/dbraw/zinc/84/59/94/791845994.db2.gz HMSKTHLKSFMNDL-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC000998265374 792385047 /nfs/dbraw/zinc/38/50/47/792385047.db2.gz HJWRHNZMBZPXFE-ZIAGYGMSSA-N 2 0 344.381 2.287 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001086953620 793091570 /nfs/dbraw/zinc/09/15/70/793091570.db2.gz NPNOQPLSBVRJHY-KRWDZBQOSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079162661 794438574 /nfs/dbraw/zinc/43/85/74/794438574.db2.gz VNQWGJDVLOFCLA-RBUKOAKNSA-N 2 0 345.462 2.382 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001079187618 794466800 /nfs/dbraw/zinc/46/68/00/794466800.db2.gz PHAZQBOJPXDYJK-OTWHNJEPSA-N 2 0 345.462 2.236 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(CC(=C)Cl)CC3)CC1 ZINC000992515745 794473031 /nfs/dbraw/zinc/47/30/31/794473031.db2.gz ZSRWNNBPGIZDTI-MJGOQNOKSA-N 2 0 349.906 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533312 806351257 /nfs/dbraw/zinc/35/12/57/806351257.db2.gz GAQABJVSTLVGHZ-KLHDSHLOSA-N 2 0 327.900 2.344 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001093378141 795114163 /nfs/dbraw/zinc/11/41/63/795114163.db2.gz JXFGBAYUBVTSDY-YLJYHZDGSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000154973 795347179 /nfs/dbraw/zinc/34/71/79/795347179.db2.gz QCMNSFQISDFBDM-PKOBYXMFSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334145 795743430 /nfs/dbraw/zinc/74/34/30/795743430.db2.gz DSXXMDATJPIKTG-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)CC1 ZINC001032800297 796412261 /nfs/dbraw/zinc/41/22/61/796412261.db2.gz GHYUALZLVOMJHY-ROUUACIJSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001171516021 796624814 /nfs/dbraw/zinc/62/48/14/796624814.db2.gz QFOVTYSISQRRBA-QGZVFWFLSA-N 2 0 339.524 2.186 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001171576360 796645992 /nfs/dbraw/zinc/64/59/92/796645992.db2.gz WTDXBIWUZUUGNC-UHFFFAOYSA-N 2 0 333.451 2.005 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081214014 796673683 /nfs/dbraw/zinc/67/36/83/796673683.db2.gz ZWTBKIBOZSPKLS-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1ccccc1 ZINC001081231840 796702117 /nfs/dbraw/zinc/70/21/17/796702117.db2.gz QOXQCXRHRUTUQM-ZCNNSNEGSA-N 2 0 339.483 2.078 20 30 EEEDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000324495788 796856965 /nfs/dbraw/zinc/85/69/65/796856965.db2.gz PQTQIUROSIOTHG-INIZCTEOSA-N 2 0 330.476 2.266 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820728 797027210 /nfs/dbraw/zinc/02/72/10/797027210.db2.gz ZHJQTTQWGROALI-MOPGFXCFSA-N 2 0 343.515 2.149 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704506 797388899 /nfs/dbraw/zinc/38/88/99/797388899.db2.gz AEYIEFGRNHZDMV-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558140 797587650 /nfs/dbraw/zinc/58/76/50/797587650.db2.gz ATZRFMXKRQZTIL-VNQPRFMTSA-N 2 0 327.900 2.438 20 30 EEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401552 798383803 /nfs/dbraw/zinc/38/38/03/798383803.db2.gz VFIODIKJKDABIX-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048719 798447440 /nfs/dbraw/zinc/44/74/40/798447440.db2.gz BWBLKNCBTWCDAG-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176844550 798578415 /nfs/dbraw/zinc/57/84/15/798578415.db2.gz KVJLHCWGMOSWPU-CALCHBBNSA-N 2 0 345.462 2.146 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001176999439 798688235 /nfs/dbraw/zinc/68/82/35/798688235.db2.gz WHLNPLOPGMKLRB-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179987355 800200409 /nfs/dbraw/zinc/20/04/09/800200409.db2.gz RXJYNXDCNHFQIK-BBRMVZONSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001181475855 800811152 /nfs/dbraw/zinc/81/11/52/800811152.db2.gz DHALXYZIWFHACD-YVWKXTFCSA-N 2 0 333.520 2.369 20 30 EEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001182629325 801264936 /nfs/dbraw/zinc/26/49/36/801264936.db2.gz CUPBSXCKXMRRBY-WIYYLYMNSA-N 2 0 343.515 2.421 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185052193 802304400 /nfs/dbraw/zinc/30/44/00/802304400.db2.gz MUANSCJEQWOZFU-CVEARBPZSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585743 802424686 /nfs/dbraw/zinc/42/46/86/802424686.db2.gz JZNQJZBHMNLLPK-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642286 802550386 /nfs/dbraw/zinc/55/03/86/802550386.db2.gz CKHXXBWFEWJULP-IYWMVGAKSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735035 802944476 /nfs/dbraw/zinc/94/44/76/802944476.db2.gz GBWWJMDJBSCABX-CADBVGFASA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733450 804419121 /nfs/dbraw/zinc/41/91/21/804419121.db2.gz PSRBCTAJZFTYLW-FHWLQOOXSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001086558427 807212123 /nfs/dbraw/zinc/21/21/23/807212123.db2.gz OJQZSVHSPSEJTF-UAPYVXQJSA-N 2 0 331.504 2.006 20 30 EEEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588917 808829572 /nfs/dbraw/zinc/82/95/72/808829572.db2.gz WICREUPLDSKWAW-XUVXKRRUSA-N 2 0 339.483 2.098 20 30 EEEDRP C[NH+](C)C1(C(=O)NCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001437793726 1090380006 /nfs/dbraw/zinc/38/00/06/1090380006.db2.gz QMVDYTDHBOOITK-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438824800 1091441653 /nfs/dbraw/zinc/44/16/53/1091441653.db2.gz XAZCYWONJQEARA-QZTJIDSGSA-N 2 0 346.450 2.022 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]Cc2cccc(C#N)c2)C2CC2)CCC1 ZINC001445956315 1091901168 /nfs/dbraw/zinc/90/11/68/1091901168.db2.gz DXFNFEISUUJNBP-GOSISDBHSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001439913934 1092987847 /nfs/dbraw/zinc/98/78/47/1092987847.db2.gz YIWUQXAQZIJAPZ-UHFFFAOYSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Br)C[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001444041301 1098562586 /nfs/dbraw/zinc/56/25/86/1098562586.db2.gz PYWIQCWZYOYEAA-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444686461 1099535611 /nfs/dbraw/zinc/53/56/11/1099535611.db2.gz DIRCZVJYWLZXGU-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001480266911 1099964068 /nfs/dbraw/zinc/96/40/68/1099964068.db2.gz BCYWVEOJTTZBKH-OALUTQOASA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001447320254 1102441532 /nfs/dbraw/zinc/44/15/32/1102441532.db2.gz KPYFFVFDOBPIQD-OALUTQOASA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001507128233 1115122755 /nfs/dbraw/zinc/12/27/55/1115122755.db2.gz SZOSKERMHQGQQZ-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP C=C(Br)C[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001508145650 1115427621 /nfs/dbraw/zinc/42/76/21/1115427621.db2.gz PBDHYNXUDYKKBU-UHFFFAOYSA-N 2 0 346.313 2.206 20 30 EEEDRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423456502 288065620 /nfs/dbraw/zinc/06/56/20/288065620.db2.gz NUQDBXBWAWSEIQ-NSHGMRRFSA-N 2 0 340.471 2.246 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000521576683 468321373 /nfs/dbraw/zinc/32/13/73/468321373.db2.gz OYBSZUCAXQIMMM-GOSISDBHSA-N 2 0 342.487 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000070825589 463387281 /nfs/dbraw/zinc/38/72/81/463387281.db2.gz HBFDFPBHCYPUIK-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000125246769 463521278 /nfs/dbraw/zinc/52/12/78/463521278.db2.gz GTIGSCZBRKIBQO-UHFFFAOYSA-N 2 0 335.411 2.104 20 30 EEEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261937464 463905755 /nfs/dbraw/zinc/90/57/55/463905755.db2.gz CSXZXGBFPUVKBN-WBVHZDCISA-N 2 0 342.491 2.036 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000264368450 464301205 /nfs/dbraw/zinc/30/12/05/464301205.db2.gz GCABBYKBECLITN-MRXNPFEDSA-N 2 0 336.505 2.300 20 30 EEEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493214 464584880 /nfs/dbraw/zinc/58/48/80/464584880.db2.gz MFWMQCHOSXCHLQ-JWTNVVGKSA-N 2 0 326.444 2.444 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282524192 464850731 /nfs/dbraw/zinc/85/07/31/464850731.db2.gz YLYXVELKNJLNJS-UHFFFAOYSA-N 2 0 343.519 2.152 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C#N ZINC000176820082 464858989 /nfs/dbraw/zinc/85/89/89/464858989.db2.gz GCYOIDDNJOPBIH-UHFFFAOYSA-N 2 0 333.436 2.176 20 30 EEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330419515 465652698 /nfs/dbraw/zinc/65/26/98/465652698.db2.gz GACIKRVHGXBDRX-RDJZCZTQSA-N 2 0 334.508 2.095 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196112 465865214 /nfs/dbraw/zinc/86/52/14/465865214.db2.gz VQYKZECFQIQQHF-SFHVURJKSA-N 2 0 331.460 2.500 20 30 EEEDRP CN(Cc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367116871 466139365 /nfs/dbraw/zinc/13/93/65/466139365.db2.gz IYUMONBDJZRAFG-GOSISDBHSA-N 2 0 330.451 2.298 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000417059872 466767686 /nfs/dbraw/zinc/76/76/86/466767686.db2.gz IVDBXQIXXNNNSH-FUHWJXTLSA-N 2 0 336.524 2.454 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723882 782132787 /nfs/dbraw/zinc/13/27/87/782132787.db2.gz KNIHQWCOZORPMN-FCEWJHQRSA-N 2 0 337.483 2.191 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000105139741 527645596 /nfs/dbraw/zinc/64/55/96/527645596.db2.gz YCUUMOLUASJFCX-ROUUACIJSA-N 2 0 336.524 2.421 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)cs1 ZINC000104174004 529072842 /nfs/dbraw/zinc/07/28/42/529072842.db2.gz KIRDHFPNXCODBL-LLVKDONJSA-N 2 0 345.310 2.399 20 30 EEEDRP Cc1cc(C(O)=CONC(=[NH2+])c2ccc(C[NH+](C)C)cc2)c(C)n1C ZINC000747839116 577951220 /nfs/dbraw/zinc/95/12/20/577951220.db2.gz YDBWJCPYVLODAR-UHFFFAOYSA-N 2 0 342.443 2.223 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204983 676091472 /nfs/dbraw/zinc/09/14/72/676091472.db2.gz JGOBMPMTXWITAH-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C/Cl)CC1 ZINC001021469738 676118898 /nfs/dbraw/zinc/11/88/98/676118898.db2.gz JVOMUMZVECFGBX-RNZGJBGTSA-N 2 0 349.906 2.196 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740987 676399872 /nfs/dbraw/zinc/39/98/72/676399872.db2.gz XVFPGAZSTOOCHI-WOJBJXKFSA-N 2 0 339.483 2.308 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262348467 679191304 /nfs/dbraw/zinc/19/13/04/679191304.db2.gz DRYFOYMUMHCQEA-FJIDUMEYSA-N 2 0 348.535 2.183 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825218 /nfs/dbraw/zinc/82/52/18/679825218.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647429 679448082 /nfs/dbraw/zinc/44/80/82/679448082.db2.gz ZZRLAUHFAQSCIX-GOSISDBHSA-N 2 0 327.472 2.213 20 30 EEEDRP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972635997 679472226 /nfs/dbraw/zinc/47/22/26/679472226.db2.gz WKBKPUUXBSYIGS-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023695675 679486272 /nfs/dbraw/zinc/48/62/72/679486272.db2.gz FBORZTMHSMJBMJ-OALUTQOASA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023695677 679486495 /nfs/dbraw/zinc/48/64/95/679486495.db2.gz FBORZTMHSMJBMJ-RTBURBONSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024546694 680078183 /nfs/dbraw/zinc/07/81/83/680078183.db2.gz CAHIBGDASBLAHN-KRWDZBQOSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801458 683970242 /nfs/dbraw/zinc/97/02/42/683970242.db2.gz NGQQNAYCVRSGEA-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]12 ZINC001026299549 684218999 /nfs/dbraw/zinc/21/89/99/684218999.db2.gz WOVKVTOJKIADKW-KBAYOESNSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]12 ZINC001026403604 684574916 /nfs/dbraw/zinc/57/49/16/684574916.db2.gz MEUNVOSPOBVOOG-FVQBIDKESA-N 2 0 348.878 2.340 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660824 685171020 /nfs/dbraw/zinc/17/10/20/685171020.db2.gz DONFEMRWVMJCKY-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665706 685192146 /nfs/dbraw/zinc/19/21/46/685192146.db2.gz SKDASQZJIHHAFW-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Br)CNC(=[NH+]CC)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262446778 686108651 /nfs/dbraw/zinc/10/86/51/686108651.db2.gz IYXGZBNCVZQUII-CQSZACIVSA-N 2 0 343.313 2.421 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986355138 688504773 /nfs/dbraw/zinc/50/47/73/688504773.db2.gz LJLIESNALCALIZ-HNAYVOBHSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987292900 689572497 /nfs/dbraw/zinc/57/24/97/689572497.db2.gz NAPGGOMEPASYGL-HOCLYGCPSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@@H]2C)CC1 ZINC000987571935 689847548 /nfs/dbraw/zinc/84/75/48/689847548.db2.gz RGTKNXHKNMIDIK-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C2)CC1 ZINC001107033839 1192848448 /nfs/dbraw/zinc/84/84/48/1192848448.db2.gz CUUXALRAXHEYEH-IEBWSBKVSA-N 2 0 347.547 2.452 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001267152458 1178333115 /nfs/dbraw/zinc/33/31/15/1178333115.db2.gz MYYFKRJVWKOGHQ-YJBOKZPZSA-N 2 0 333.451 2.002 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)C[C@@H]2C)CC1 ZINC000945181454 1193416333 /nfs/dbraw/zinc/41/63/33/1193416333.db2.gz NFXRLEOGSLTMIM-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP N=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1nccs1 ZINC001168280467 1188112647 /nfs/dbraw/zinc/11/26/47/1188112647.db2.gz GPLKKUQLEXLBHQ-UHFFFAOYSA-N 2 0 329.473 2.351 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539932 1188161040 /nfs/dbraw/zinc/16/10/40/1188161040.db2.gz SYUPPQSTSWAHJL-OALUTQOASA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568387 1188182029 /nfs/dbraw/zinc/18/20/29/1188182029.db2.gz NYIQOVSRPOJYSM-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574920 1188189120 /nfs/dbraw/zinc/18/91/20/1188189120.db2.gz MBVSJCKHSABFOY-QGZVFWFLSA-N 2 0 331.504 2.409 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001203431518 1188254827 /nfs/dbraw/zinc/25/48/27/1188254827.db2.gz MAACMGNFJJNTIX-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001168321158 1188291071 /nfs/dbraw/zinc/29/10/71/1188291071.db2.gz ZTSRZKCHEKAYHU-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033683896 1195064146 /nfs/dbraw/zinc/06/41/46/1195064146.db2.gz JBJVEKBYWVLEOE-IBGZPJMESA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332335 1196102352 /nfs/dbraw/zinc/10/23/52/1196102352.db2.gz XTKLCJFKTGPLOB-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034399316 1196190348 /nfs/dbraw/zinc/19/03/48/1196190348.db2.gz SHWXGZXWXXHBRM-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001034492068 1196282132 /nfs/dbraw/zinc/28/21/32/1196282132.db2.gz LKDZBUVCDYTXBO-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273143075 1196999308 /nfs/dbraw/zinc/99/93/08/1196999308.db2.gz AZNPCFRPYOXSFK-FQEVSTJZSA-N 2 0 346.519 2.479 20 30 EEEDRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000873293313 1198552956 /nfs/dbraw/zinc/55/29/56/1198552956.db2.gz ZAMPRDQBVWSSEV-CRAIPNDOSA-N 2 0 329.444 2.398 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132870099 1200132625 /nfs/dbraw/zinc/13/26/25/1200132625.db2.gz QCFODEWGCFVAIE-GDBMZVCRSA-N 2 0 333.501 2.131 20 30 EEEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+](CC)CC ZINC001133684698 1201196508 /nfs/dbraw/zinc/19/65/08/1201196508.db2.gz LLDSBSLPZYGECP-KRWDZBQOSA-N 2 0 334.439 2.024 20 30 EEEDRP C=CCCCCC[NH+]1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001276036578 1205644210 /nfs/dbraw/zinc/64/42/10/1205644210.db2.gz VGLGUSJSPWWUQD-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095556487 1205873171 /nfs/dbraw/zinc/87/31/71/1205873171.db2.gz UJHJYZJAHUCNCC-OWSLCNJRSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001095556385 1205873296 /nfs/dbraw/zinc/87/32/96/1205873296.db2.gz OWTXJBNDKRXWDK-FYQPLNBISA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000778167907 1207760476 /nfs/dbraw/zinc/76/04/76/1207760476.db2.gz SNFOUPXVAQBXPL-HNNXBMFYSA-N 2 0 335.879 2.078 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948417047 1209125907 /nfs/dbraw/zinc/12/59/07/1209125907.db2.gz VTZTYBGEGYLKCQ-MRXNPFEDSA-N 2 0 333.501 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2c3ccccc3CC[N@H+]2CC)CC1 ZINC000948987253 1209491144 /nfs/dbraw/zinc/49/11/44/1209491144.db2.gz VQLVYZMOKOFKES-FQEVSTJZSA-N 2 0 339.483 2.067 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000949358157 1209649103 /nfs/dbraw/zinc/64/91/03/1209649103.db2.gz FAWCBHJMCMFEMV-GOSISDBHSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793037 1213906528 /nfs/dbraw/zinc/90/65/28/1213906528.db2.gz YVVAVDSCTJXGKV-RTBURBONSA-N 3 0 343.519 2.212 20 30 EEEDRP CCc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(CC)CC2)cc1 ZINC000303873713 1213917024 /nfs/dbraw/zinc/91/70/24/1213917024.db2.gz CSCANUBNJKAFOI-UHFFFAOYSA-N 2 0 331.508 2.393 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CC1 ZINC000303891337 1213920960 /nfs/dbraw/zinc/92/09/60/1213920960.db2.gz NANUSWOKPYPRKA-INIZCTEOSA-N 2 0 347.507 2.226 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303899071 1213922578 /nfs/dbraw/zinc/92/25/78/1213922578.db2.gz VXNNPJZLSOOMEQ-IXDOHACOSA-N 3 0 337.556 2.132 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000304468574 1216043760 /nfs/dbraw/zinc/04/37/60/1216043760.db2.gz CMIHAKRUHULGBV-HKUYNNGSSA-N 3 0 345.535 2.286 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037279760 1216291302 /nfs/dbraw/zinc/29/13/02/1216291302.db2.gz SUJFPJWXTRTKEW-UXHICEINSA-N 2 0 345.531 2.396 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375830 1217163935 /nfs/dbraw/zinc/16/39/35/1217163935.db2.gz XOFYUMOCKROENR-PMACEKPBSA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376819 1217164709 /nfs/dbraw/zinc/16/47/09/1217164709.db2.gz DJDMOWHSWNUZGM-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315203 1217507992 /nfs/dbraw/zinc/50/79/92/1217507992.db2.gz RJMNMFRHTSNYKX-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337102 1217531631 /nfs/dbraw/zinc/53/16/31/1217531631.db2.gz KTOCKEANZWYYQJ-MSOLQXFVSA-N 2 0 342.487 2.079 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000962306525 1217603617 /nfs/dbraw/zinc/60/36/17/1217603617.db2.gz OMTBDDPDSSOVAW-MDCZIUGASA-N 2 0 340.471 2.027 20 30 EEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000963658857 1217945068 /nfs/dbraw/zinc/94/50/68/1217945068.db2.gz FMRRDJHWCFQYDO-UHFFFAOYSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000964436441 1218363729 /nfs/dbraw/zinc/36/37/29/1218363729.db2.gz GKOOFOZEKRZQCV-UHFFFAOYSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCC3)[C@H](CC)C2)CC1 ZINC001037984375 1220883995 /nfs/dbraw/zinc/88/39/95/1220883995.db2.gz RMLWJFLDBRQGDI-QUCCMNQESA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277739 1222731785 /nfs/dbraw/zinc/73/17/85/1222731785.db2.gz VXPSPNKQYJQEGS-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860996 1226928420 /nfs/dbraw/zinc/92/84/20/1226928420.db2.gz MDZJNILNUDTGFA-ROUUACIJSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016923035 1226973202 /nfs/dbraw/zinc/97/32/02/1226973202.db2.gz HILGILVHOVEVBF-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCCC2)CC1 ZINC001039042320 1230258961 /nfs/dbraw/zinc/25/89/61/1230258961.db2.gz PXEAJWQZWNVSCJ-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133343 1230342417 /nfs/dbraw/zinc/34/24/17/1230342417.db2.gz SGNGBJYBUJMFJD-SLFFLAALSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163411 1230385539 /nfs/dbraw/zinc/38/55/39/1230385539.db2.gz CLDYDCVUQXPINX-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275125 1231147092 /nfs/dbraw/zinc/14/70/92/1231147092.db2.gz INYIGTIYSUQIMS-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298183 1231157970 /nfs/dbraw/zinc/15/79/70/1231157970.db2.gz VXIFTYLRUGNUTI-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040725953 1231349095 /nfs/dbraw/zinc/34/90/95/1231349095.db2.gz HVROHDRJNLTSLX-INIZCTEOSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040847850 1231387159 /nfs/dbraw/zinc/38/71/59/1231387159.db2.gz AHFROMXIJYRITP-ROUUACIJSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001040954309 1231409268 /nfs/dbraw/zinc/40/92/68/1231409268.db2.gz WRSGBJLKRPULOC-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001045090300 1233496109 /nfs/dbraw/zinc/49/61/09/1233496109.db2.gz YJGOMUWVSJFTIY-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045939447 1234194865 /nfs/dbraw/zinc/19/48/65/1234194865.db2.gz BGXGDCVIEMDNJX-TZIWHRDSSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048912209 1239234107 /nfs/dbraw/zinc/23/41/07/1239234107.db2.gz GFYDJTAVPFFLNX-BBWFWOEESA-N 2 0 339.911 2.250 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959380 1239578049 /nfs/dbraw/zinc/57/80/49/1239578049.db2.gz HFFUJKFKRULXPC-OTWHNJEPSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514407 1241188029 /nfs/dbraw/zinc/18/80/29/1241188029.db2.gz DQQALFHRAYYBAH-GUDVDZBRSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049666221 1241818028 /nfs/dbraw/zinc/81/80/28/1241818028.db2.gz XTKRHFZXJPIQGL-CEXWTWQISA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764754 1242127212 /nfs/dbraw/zinc/12/72/12/1242127212.db2.gz FGIVAEZQTDYPNQ-CEXWTWQISA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001073899216 1242761992 /nfs/dbraw/zinc/76/19/92/1242761992.db2.gz NVRNVGYLGMUYJJ-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577498 1243877678 /nfs/dbraw/zinc/87/76/78/1243877678.db2.gz STEUQEKRKFATKS-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958010 1245555112 /nfs/dbraw/zinc/55/51/12/1245555112.db2.gz KSZUKPJZZJPXRL-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105332 1245920847 /nfs/dbraw/zinc/92/08/47/1245920847.db2.gz NDQJVANSMNXHCW-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145089 1247517215 /nfs/dbraw/zinc/51/72/15/1247517215.db2.gz JXZXCABODDDIER-WMZOPIPTSA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171599 1247596893 /nfs/dbraw/zinc/59/68/93/1247596893.db2.gz VAOGBCDSHZUKGM-PZJWPPBQSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCC=C)C3)C2)CC1 ZINC001054245375 1247859970 /nfs/dbraw/zinc/85/99/70/1247859970.db2.gz STKNZWOEZVQLET-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099552900 1258201401 /nfs/dbraw/zinc/20/14/01/1258201401.db2.gz QDWYCDWVLUXTJA-OKYOBFRVSA-N 2 0 333.520 2.462 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298856 1278316265 /nfs/dbraw/zinc/31/62/65/1278316265.db2.gz PYMMPXYPDZTZMD-HOTGVXAUSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299358 1278317558 /nfs/dbraw/zinc/31/75/58/1278317558.db2.gz WQOBTFLZDZQUOT-ZIAGYGMSSA-N 2 0 348.516 2.334 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCCCC)C[C@H]32)CC1 ZINC001190319218 1280791225 /nfs/dbraw/zinc/79/12/25/1280791225.db2.gz ZLWZNRUIVPFSMV-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644717 1280992459 /nfs/dbraw/zinc/99/24/59/1280992459.db2.gz KQYNBKMDVDPKGY-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201411431 1289559465 /nfs/dbraw/zinc/55/94/65/1289559465.db2.gz QGSXRJIRUAPIPD-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095260 1295236012 /nfs/dbraw/zinc/23/60/12/1295236012.db2.gz GXDHCWNOPNLAFE-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166251 1297046326 /nfs/dbraw/zinc/04/63/26/1297046326.db2.gz UTXLVGIWHMEZIJ-WMZOPIPTSA-N 2 0 345.491 2.092 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001276775909 1297595326 /nfs/dbraw/zinc/59/53/26/1297595326.db2.gz QSFVHNAIPYBOHO-UHFFFAOYSA-N 2 0 342.487 2.048 20 30 EEEDRP CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942528 1299213943 /nfs/dbraw/zinc/21/39/43/1299213943.db2.gz ONDNSBOIUMQHCE-VAMGGRTRSA-N 2 0 339.483 2.235 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225228562 1300935387 /nfs/dbraw/zinc/93/53/87/1300935387.db2.gz QPELTXCYSGBFOI-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480347 1301125191 /nfs/dbraw/zinc/12/51/91/1301125191.db2.gz MCSGTFGCBBZSJI-GDBMZVCRSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001226774091 1301548657 /nfs/dbraw/zinc/54/86/57/1301548657.db2.gz JTIJADUCWPVUII-GUDVDZBRSA-N 2 0 331.504 2.434 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174550 1302387558 /nfs/dbraw/zinc/38/75/58/1302387558.db2.gz RQGLCBFRVBQUJM-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229999520 1303010998 /nfs/dbraw/zinc/01/09/98/1303010998.db2.gz KWVXXEQQYOOMSE-HXUWFJFHSA-N 2 0 327.472 2.067 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H](C)F)CC1 ZINC001230251719 1303127634 /nfs/dbraw/zinc/12/76/34/1303127634.db2.gz GDCLKXWHZRPNEU-KBAYOESNSA-N 2 0 337.483 2.097 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccnc1 ZINC001230830114 1303487216 /nfs/dbraw/zinc/48/72/16/1303487216.db2.gz WSMCQATUVPPQMU-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(C#N)cc1 ZINC001245906388 1310186266 /nfs/dbraw/zinc/18/62/66/1310186266.db2.gz LIQMMUPBSCZYGA-UHFFFAOYSA-N 2 0 347.532 2.460 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001246302398 1310276799 /nfs/dbraw/zinc/27/67/99/1310276799.db2.gz CJIGCXCCDBSGEV-ABHNRTSZSA-N 2 0 339.524 2.456 20 30 EEEDRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834505688 1314846623 /nfs/dbraw/zinc/84/66/23/1314846623.db2.gz MVMQRSSUIWYMBI-UXHICEINSA-N 2 0 348.450 2.160 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946692 1316099218 /nfs/dbraw/zinc/09/92/18/1316099218.db2.gz MBSWUBSNMSLVAD-ROUUACIJSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001151027647 1316433767 /nfs/dbraw/zinc/43/37/67/1316433767.db2.gz ZHWYJJOIZUTEOP-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576958 1317885528 /nfs/dbraw/zinc/88/55/28/1317885528.db2.gz JDIHHBIFTIOZJA-HZPDHXFCSA-N 2 0 336.501 2.350 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374570 1317985200 /nfs/dbraw/zinc/98/52/00/1317985200.db2.gz SUXNLZUMKDBGMV-QUCCMNQESA-N 2 0 341.499 2.207 20 30 EEEDRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254663004 1318159845 /nfs/dbraw/zinc/15/98/45/1318159845.db2.gz NJKWNCHYPNSSHN-NCXUSEDFSA-N 2 0 344.503 2.086 20 30 EEEDRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256971684 1318907383 /nfs/dbraw/zinc/90/73/83/1318907383.db2.gz LKORYDUXPXCFRT-AQFXKWCLSA-N 2 0 333.476 2.418 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001158404754 1319222435 /nfs/dbraw/zinc/22/24/35/1319222435.db2.gz YJFDSYOTJXUJRU-FUHWJXTLSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001160646891 1320221804 /nfs/dbraw/zinc/22/18/04/1320221804.db2.gz XMDBXEQHTVSTQC-UHFFFAOYSA-N 2 0 337.427 2.205 20 30 EEEDRP C#CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160810857 1320277331 /nfs/dbraw/zinc/27/73/31/1320277331.db2.gz YLRWTUNTIMLNLR-UHFFFAOYSA-N 2 0 331.504 2.413 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001163297902 1321090790 /nfs/dbraw/zinc/09/07/90/1321090790.db2.gz UUOKJWHKXQBIPU-UHFFFAOYSA-N 2 0 341.499 2.399 20 30 EEEDRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001165728387 1321574055 /nfs/dbraw/zinc/57/40/55/1321574055.db2.gz QONLTRARRQJKNB-MRXNPFEDSA-N 2 0 348.516 2.336 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189644 1321673816 /nfs/dbraw/zinc/67/38/16/1321673816.db2.gz MVXBCUWQFRNWTP-UHFFFAOYSA-N 2 0 342.443 2.027 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166380782 1321709189 /nfs/dbraw/zinc/70/91/89/1321709189.db2.gz KHPIAMYZALLMQY-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCC(=C)C)C23CCC3)CC1 ZINC001203773318 1321958514 /nfs/dbraw/zinc/95/85/14/1321958514.db2.gz VIVGLYNNMJHCSX-RBUKOAKNSA-N 2 0 343.515 2.315 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284295 1322342080 /nfs/dbraw/zinc/34/20/80/1322342080.db2.gz LIPMOHXLHVUSSA-IAGOWNOFSA-N 2 0 339.911 2.442 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205653546 1323229641 /nfs/dbraw/zinc/22/96/41/1323229641.db2.gz LEVBDOWOMVIAHN-UHOSZYNNSA-N 2 0 345.462 2.073 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205674204 1323238956 /nfs/dbraw/zinc/23/89/56/1323238956.db2.gz DNYGGNNPHPOYRH-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205678552 1323240155 /nfs/dbraw/zinc/24/01/55/1323240155.db2.gz LZMFJABYIUQGFK-VDZJLULYSA-N 2 0 345.462 2.238 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206890297 1323673115 /nfs/dbraw/zinc/67/31/15/1323673115.db2.gz KIUWZCAEOOFDAH-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001207643953 1324064634 /nfs/dbraw/zinc/06/46/34/1324064634.db2.gz TYOXGKLWERCPFH-LZQZEXGQSA-N 2 0 342.487 2.081 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048265 1324287142 /nfs/dbraw/zinc/28/71/42/1324287142.db2.gz FSFOZECIIVQNMM-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208331696 1324431840 /nfs/dbraw/zinc/43/18/40/1324431840.db2.gz VZDVOCIQKLRAIV-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001208542377 1324551469 /nfs/dbraw/zinc/55/14/69/1324551469.db2.gz PPAFNXPCAJBHSY-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001209315229 1324899262 /nfs/dbraw/zinc/89/92/62/1324899262.db2.gz PCXMWPPXEZJAAS-GOSISDBHSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891405 1330291838 /nfs/dbraw/zinc/29/18/38/1330291838.db2.gz KBPNXFFBLDTJPM-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076308 1337983549 /nfs/dbraw/zinc/98/35/49/1337983549.db2.gz JGZSDCKKFTUXCK-ZWKOTPCHSA-N 2 0 341.540 2.240 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001202218147 1368898623 /nfs/dbraw/zinc/89/86/23/1368898623.db2.gz ZYZGPXSIVHDYBI-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121727855 1371919970 /nfs/dbraw/zinc/91/99/70/1371919970.db2.gz JRFXVNMJKXMQHS-UKEPKTAJSA-N 2 0 327.900 2.342 20 30 EEEDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405066 1372501794 /nfs/dbraw/zinc/50/17/94/1372501794.db2.gz HQZZTSKZRQZZFZ-UHFFFAOYSA-N 2 0 349.482 2.299 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103628 1372768946 /nfs/dbraw/zinc/76/89/46/1372768946.db2.gz LWMFCNDXRLUONZ-SJORKVTESA-N 2 0 331.504 2.290 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000838623972 1372857679 /nfs/dbraw/zinc/85/76/79/1372857679.db2.gz ZRIOWQRHMHNSPD-UHFFFAOYSA-N 2 0 336.524 2.285 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001374379482 1376750030 /nfs/dbraw/zinc/75/00/30/1376750030.db2.gz CYHOVGMQGZOWDM-OCCSQVGLSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001376396650 1378521977 /nfs/dbraw/zinc/52/19/77/1378521977.db2.gz KPFXAGCVCAGDPR-FHWLQOOXSA-N 2 0 342.487 2.415 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001376555701 1378593313 /nfs/dbraw/zinc/59/33/13/1378593313.db2.gz HZSWXRAIGUTYPO-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001394709577 1390743088 /nfs/dbraw/zinc/74/30/88/1390743088.db2.gz STQQDHMJQATTSW-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001394719871 1390744745 /nfs/dbraw/zinc/74/47/45/1390744745.db2.gz VXUWKQVCARJJGS-HZPDHXFCSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001752921294 1406548534 /nfs/dbraw/zinc/54/85/34/1406548534.db2.gz PJNQJLBIEOWDHS-IAGOWNOFSA-N 2 0 327.472 2.187 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001398755956 1394176262 /nfs/dbraw/zinc/17/62/62/1394176262.db2.gz ZEGBHDJQMZKLDB-MRXNPFEDSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001402434288 1397999293 /nfs/dbraw/zinc/99/92/93/1397999293.db2.gz GELWDMTYJKSVDG-MUJYYYPQSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001422524004 1399983880 /nfs/dbraw/zinc/98/38/80/1399983880.db2.gz AHVUYYZACRUWSY-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001576971331 1403617077 /nfs/dbraw/zinc/61/70/77/1403617077.db2.gz PIBMYRLHMXBPMJ-YJBOKZPZSA-N 2 0 330.476 2.212 20 30 EEEDRP C=CC[NH2+]CCC[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001755546961 1407621616 /nfs/dbraw/zinc/62/16/16/1407621616.db2.gz AEMGSYDRBCISRT-GOSISDBHSA-N 2 0 327.472 2.496 20 30 EEEDRP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755721508 1407781719 /nfs/dbraw/zinc/78/17/19/1407781719.db2.gz BOGCSZSAFOEIEX-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121475347 1410228184 /nfs/dbraw/zinc/22/81/84/1410228184.db2.gz WMHFGAPJXZWKJS-UHFFFAOYSA-N 2 0 331.504 2.291 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397052 1410896753 /nfs/dbraw/zinc/89/67/53/1410896753.db2.gz QKNXGDIATUGXOE-ZJOUEHCJSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573204 761929317 /nfs/dbraw/zinc/92/93/17/761929317.db2.gz LQZDFWNCDLFMEK-QRVBRYPASA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3CCC3)[C@@H](C)C2)CC1 ZINC001075367590 757449343 /nfs/dbraw/zinc/44/93/43/757449343.db2.gz UZNRQEKWGKCZPI-PXNSSMCTSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458841 760852410 /nfs/dbraw/zinc/85/24/10/760852410.db2.gz QSBKCWBXLMHLDT-HKUYNNGSSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461816 760940997 /nfs/dbraw/zinc/94/09/97/760940997.db2.gz SCGPQSMNYYOEOS-OALUTQOASA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001104895030 765522676 /nfs/dbraw/zinc/52/26/76/765522676.db2.gz QKZILWUKPDDDNP-OPYAIIAOSA-N 2 0 341.499 2.171 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537420 770149569 /nfs/dbraw/zinc/14/95/69/770149569.db2.gz LVBFUAIKYJEKIW-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203228337 770724577 /nfs/dbraw/zinc/72/45/77/770724577.db2.gz AJLOOENNNYYKLX-IAGOWNOFSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131704719 783084319 /nfs/dbraw/zinc/08/43/19/783084319.db2.gz ZHSIHJGFCOTPIA-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097384 783096140 /nfs/dbraw/zinc/09/61/40/783096140.db2.gz IFNUWEGNKMPKPS-AZUAARDMSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979999348 773688588 /nfs/dbraw/zinc/68/85/88/773688588.db2.gz JBRDFBLJQDSNOK-IPMKNSEASA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980141780 773933620 /nfs/dbraw/zinc/93/36/20/773933620.db2.gz KLJXOKBIBSSIHZ-RYQLBKOJSA-N 2 0 336.439 2.188 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001167814831 774974961 /nfs/dbraw/zinc/97/49/61/774974961.db2.gz GFBJRJILDBFWFZ-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2ccc(C#N)s2)CCCCC1 ZINC001131794303 783227057 /nfs/dbraw/zinc/22/70/57/783227057.db2.gz RWNRUIBJXIZHLA-UHFFFAOYSA-N 2 0 348.516 2.338 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089835843 777475117 /nfs/dbraw/zinc/47/51/17/777475117.db2.gz XDOFFZQKEGUIKW-NBYUQASBSA-N 2 0 348.450 2.140 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCC3)C2)CC1 ZINC000981539896 777624102 /nfs/dbraw/zinc/62/41/02/777624102.db2.gz ANHCFXPVWVEYRL-OALUTQOASA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849867 777994033 /nfs/dbraw/zinc/99/40/33/777994033.db2.gz KHFWCRIHOJPMEV-HAGHYFMRSA-N 2 0 345.531 2.463 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163677 779183270 /nfs/dbraw/zinc/18/32/70/779183270.db2.gz OCQYGVHPDBYEEF-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1ccccc1 ZINC001211723255 779768045 /nfs/dbraw/zinc/76/80/45/779768045.db2.gz RYIJYXFDMFARBZ-RBUKOAKNSA-N 2 0 338.455 2.352 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154312 781531077 /nfs/dbraw/zinc/53/10/77/781531077.db2.gz FTDUPRRSKNFWDR-ZIAGYGMSSA-N 2 0 347.425 2.273 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001135370751 783659224 /nfs/dbraw/zinc/65/92/24/783659224.db2.gz AIOCBIQZXILYEQ-HOTGVXAUSA-N 2 0 333.451 2.002 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)C(C)C ZINC001135478245 783870184 /nfs/dbraw/zinc/87/01/84/783870184.db2.gz YLLJLBINOMFTSE-LJQANCHMSA-N 2 0 347.478 2.249 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184034 784018661 /nfs/dbraw/zinc/01/86/61/784018661.db2.gz DWRSIHJGZXKFKR-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135857010 784637957 /nfs/dbraw/zinc/63/79/57/784637957.db2.gz AZSXDIXPXHLTJD-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)[NH+](C)C ZINC000995950441 785847428 /nfs/dbraw/zinc/84/74/28/785847428.db2.gz NSQWJBICTQLRGK-MSOLQXFVSA-N 2 0 342.487 2.225 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)CC1 ZINC000996671891 787093446 /nfs/dbraw/zinc/09/34/46/787093446.db2.gz PDAPXCWZIVFFDJ-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859179 788820744 /nfs/dbraw/zinc/82/07/44/788820744.db2.gz MLMNEAILRZFIGL-ZRNYENFQSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000923371230 789448186 /nfs/dbraw/zinc/44/81/86/789448186.db2.gz WBHYEGVGOOGJKE-QFBILLFUSA-N 2 0 348.487 2.141 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161901 789574254 /nfs/dbraw/zinc/57/42/54/789574254.db2.gz RDRPXNGXBNZWMP-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091065363 789687012 /nfs/dbraw/zinc/68/70/12/789687012.db2.gz BDDKMSBPXZGNMX-PCKAHOCUSA-N 2 0 327.900 2.201 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908410 789776167 /nfs/dbraw/zinc/77/61/67/789776167.db2.gz BDXPKYATVVEMNV-NMLBUPMWSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267489 790223653 /nfs/dbraw/zinc/22/36/53/790223653.db2.gz NDTIMGULEJYQAL-UYSNPLJNSA-N 2 0 327.900 2.486 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595003 791366532 /nfs/dbraw/zinc/36/65/32/791366532.db2.gz WDBKYERTUJXSOI-ZIAGYGMSSA-N 2 0 336.505 2.333 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001147347743 791793189 /nfs/dbraw/zinc/79/31/89/791793189.db2.gz CYSFOVQQJSJHKE-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998103156 791971128 /nfs/dbraw/zinc/97/11/28/791971128.db2.gz PHXJRNZYMMRJJD-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647513 792055114 /nfs/dbraw/zinc/05/51/14/792055114.db2.gz IYKZIDWELHDNDP-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998266059 792395792 /nfs/dbraw/zinc/39/57/92/792395792.db2.gz HIRIBUPZWSZVCS-OLZOCXBDSA-N 2 0 333.398 2.026 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C(F)(F)F ZINC000998318533 792570402 /nfs/dbraw/zinc/57/04/02/792570402.db2.gz ZUZBJRMETRAJGX-LSDHHAIUSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923015 792991181 /nfs/dbraw/zinc/99/11/81/792991181.db2.gz GGQDQPIZOCTJEQ-IEBWSBKVSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169335 793923817 /nfs/dbraw/zinc/92/38/17/793923817.db2.gz PDSKXZNDUCTRKO-GPANFISMSA-N 2 0 325.884 2.192 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001112540206 794075237 /nfs/dbraw/zinc/07/52/37/794075237.db2.gz KZUGQRGHAYEEBM-ZJOUEHCJSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509191 794451673 /nfs/dbraw/zinc/45/16/73/794451673.db2.gz MYAKMUREFZVPQY-CTNGQTDRSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198720 795219806 /nfs/dbraw/zinc/21/98/06/795219806.db2.gz LKINLOWXFCEKGX-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094421343 796209820 /nfs/dbraw/zinc/20/98/20/796209820.db2.gz TXTHOXOOQQXJOS-JRBPQWBISA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902499 796440180 /nfs/dbraw/zinc/44/01/80/796440180.db2.gz LLWYTPJILQQRMG-PMACEKPBSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC(=C)C)C2)CC1 ZINC001036903033 796441198 /nfs/dbraw/zinc/44/11/98/796441198.db2.gz ULMWOKUAHJRCNJ-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115781 796657021 /nfs/dbraw/zinc/65/70/21/796657021.db2.gz NVOYLYIXMXRQGM-XUVXKRRUSA-N 2 0 339.483 2.077 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001081125946 796669973 /nfs/dbraw/zinc/66/99/73/796669973.db2.gz YGKGYAUSCMEVKX-RBUKOAKNSA-N 2 0 327.472 2.241 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803358 797030095 /nfs/dbraw/zinc/03/00/95/797030095.db2.gz IUQOZABYFFRFBN-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563801 806575005 /nfs/dbraw/zinc/57/50/05/806575005.db2.gz OOOYMSLABWHDPP-RYRKJORJSA-N 2 0 339.911 2.299 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001002036110 797498254 /nfs/dbraw/zinc/49/82/54/797498254.db2.gz DWDAFUSNXQCZRG-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782681 797694286 /nfs/dbraw/zinc/69/42/86/797694286.db2.gz KYMICXNWOCRUJA-VNQPRFMTSA-N 2 0 327.900 2.440 20 30 EEEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881985 797705595 /nfs/dbraw/zinc/70/55/95/797705595.db2.gz NOJUACMOYOJOJI-QZTJIDSGSA-N 2 0 341.540 2.219 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001085149266 798723802 /nfs/dbraw/zinc/72/38/02/798723802.db2.gz KJAGJXCJSFDRDZ-MCIONIFRSA-N 2 0 344.297 2.006 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001177406580 798927231 /nfs/dbraw/zinc/92/72/31/798927231.db2.gz VJBBWTQTLRDHOF-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177415712 798934268 /nfs/dbraw/zinc/93/42/68/798934268.db2.gz JAKOSMMFZPQXPU-MJGOQNOKSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001003007520 799026648 /nfs/dbraw/zinc/02/66/48/799026648.db2.gz IWGPFVMIGNHAEH-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634245 799556722 /nfs/dbraw/zinc/55/67/22/799556722.db2.gz QALFLUBQDOBKOR-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026342 799727467 /nfs/dbraw/zinc/72/74/67/799727467.db2.gz WVNOJXAUWUSHHT-UHFFFAOYSA-N 2 0 344.459 2.417 20 30 EEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003627051 799913870 /nfs/dbraw/zinc/91/38/70/799913870.db2.gz BQBMYIKFBPPRCP-GOSISDBHSA-N 2 0 325.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085203333 800238793 /nfs/dbraw/zinc/23/87/93/800238793.db2.gz DCQHDQSDYPCPAI-ZJIFWQFVSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085269834 800307355 /nfs/dbraw/zinc/30/73/55/800307355.db2.gz WGMNWTUHHUWZSG-IAGOWNOFSA-N 2 0 339.443 2.474 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182001653 800992669 /nfs/dbraw/zinc/99/26/69/800992669.db2.gz SKHUMCJGHUETRE-QWFCFKBJSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001151242276 801219813 /nfs/dbraw/zinc/21/98/13/801219813.db2.gz MZKOGJARSVNVHP-SFHVURJKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781864 801244981 /nfs/dbraw/zinc/24/49/81/801244981.db2.gz HHLMMHZJHRZKMQ-MOPGFXCFSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182814432 801359514 /nfs/dbraw/zinc/35/95/14/801359514.db2.gz VJPWVPDKOIDGEW-WSTZPKSXSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086132716 802258168 /nfs/dbraw/zinc/25/81/68/802258168.db2.gz CKELADGTRBTSEA-XHSDSOJGSA-N 2 0 327.900 2.344 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004620873 802500039 /nfs/dbraw/zinc/50/00/39/802500039.db2.gz RZBYWWPQFXHLGT-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001108285209 803171631 /nfs/dbraw/zinc/17/16/31/803171631.db2.gz RUYRPFFSNJPIHW-HKUYNNGSSA-N 2 0 339.524 2.136 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001005001297 803426099 /nfs/dbraw/zinc/42/60/99/803426099.db2.gz IZLMTIGGCJVGIT-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108829976 804553553 /nfs/dbraw/zinc/55/35/53/804553553.db2.gz AKOLOMXGZAANFV-UHOSZYNNSA-N 2 0 339.483 2.354 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001129409994 810827965 /nfs/dbraw/zinc/82/79/65/810827965.db2.gz AETQWLYADNLZJZ-IBGZPJMESA-N 2 0 345.462 2.146 20 30 EEEDRP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001131667165 813096745 /nfs/dbraw/zinc/09/67/45/813096745.db2.gz YPUOQDQISKRWGD-PXNSSMCTSA-N 2 0 349.519 2.129 20 30 EEEDRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001436912527 1088570184 /nfs/dbraw/zinc/57/01/84/1088570184.db2.gz KOOJQWHRLORSAB-IYARVYRRSA-N 2 0 342.487 2.273 20 30 EEEDRP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001438893415 1091542196 /nfs/dbraw/zinc/54/21/96/1091542196.db2.gz AVKGRTPPGCWEBY-UHFFFAOYSA-N 2 0 340.471 2.077 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001439819971 1092805498 /nfs/dbraw/zinc/80/54/98/1092805498.db2.gz NBZFTGIENLEAMV-HNNXBMFYSA-N 2 0 327.900 2.488 20 30 EEEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305694 1098862964 /nfs/dbraw/zinc/86/29/64/1098862964.db2.gz GDRYKBJPLMAXDE-LPHOPBHVSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001480058551 1099580135 /nfs/dbraw/zinc/58/01/35/1099580135.db2.gz RKTPFBLZTUPIPY-INIZCTEOSA-N 2 0 327.900 2.344 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001507292622 1115177487 /nfs/dbraw/zinc/17/74/87/1115177487.db2.gz LCWUYMGLNUGLSN-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396691 781929766 /nfs/dbraw/zinc/92/97/66/781929766.db2.gz SLPSGYIZLCPXPK-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491544112 246066649 /nfs/dbraw/zinc/06/66/49/246066649.db2.gz KHDHIGBZRSPBDK-IBGZPJMESA-N 2 0 326.440 2.149 20 30 EEEDRP N#Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995215204 782002680 /nfs/dbraw/zinc/00/26/80/782002680.db2.gz TVBHRRPFEDUKDR-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000337177221 465230160 /nfs/dbraw/zinc/23/01/60/465230160.db2.gz JHMOVFIWZGARKD-OALUTQOASA-N 2 0 348.535 2.045 20 30 EEEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000073903071 463667836 /nfs/dbraw/zinc/66/78/36/463667836.db2.gz LDDCBSBLXCNVCO-OAHLLOKOSA-N 2 0 346.475 2.018 20 30 EEEDRP CC[NH+]=C(NCCc1ccncc1C)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000261659900 463819554 /nfs/dbraw/zinc/81/95/54/463819554.db2.gz FUVPIFLUHMMNNW-ZACQAIPSSA-N 2 0 330.476 2.301 20 30 EEEDRP C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262487091 464030453 /nfs/dbraw/zinc/03/04/53/464030453.db2.gz STSHCSDDJYRGMB-IRXDYDNUSA-N 2 0 347.507 2.018 20 30 EEEDRP C=CCN1CC[C@H](N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740016 464677456 /nfs/dbraw/zinc/67/74/56/464677456.db2.gz YCGNTKOGKMBZEX-FPOVZHCZSA-N 2 0 339.483 2.371 20 30 EEEDRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000593882919 468420597 /nfs/dbraw/zinc/42/05/97/468420597.db2.gz NNFPPPTZCACAEU-LJQANCHMSA-N 2 0 342.487 2.225 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C[NH3+])o3)CC2)c1 ZINC000593918688 468433380 /nfs/dbraw/zinc/43/33/80/468433380.db2.gz FXGUPGJJNFVUBG-UHFFFAOYSA-N 2 0 338.411 2.004 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658422 465463288 /nfs/dbraw/zinc/46/32/88/465463288.db2.gz HLAJFIPZFXGMHL-MJGOQNOKSA-N 2 0 348.535 2.469 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000593919485 468434396 /nfs/dbraw/zinc/43/43/96/468434396.db2.gz WTWVTMAFLOTANM-INIZCTEOSA-N 2 0 340.471 2.029 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)C(C)C ZINC000344278299 465601137 /nfs/dbraw/zinc/60/11/37/465601137.db2.gz FVAFZHUYASELPD-KZNAEPCWSA-N 2 0 336.524 2.467 20 30 EEEDRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000371425388 465788915 /nfs/dbraw/zinc/78/89/15/465788915.db2.gz SGEQWIDAKQWLLD-LJQANCHMSA-N 2 0 342.487 2.167 20 30 EEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363633622 466520166 /nfs/dbraw/zinc/52/01/66/466520166.db2.gz GTWABSDKVVWJSZ-GOSISDBHSA-N 2 0 349.519 2.010 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368236189 466590205 /nfs/dbraw/zinc/59/02/05/466590205.db2.gz RZODGBJYINLSTL-IJXRJRJASA-N 2 0 339.483 2.015 20 30 EEEDRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373979 466732470 /nfs/dbraw/zinc/73/24/70/466732470.db2.gz CAJAOBKTXPUZGR-JKSUJKDBSA-N 2 0 340.393 2.435 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000424130718 466985416 /nfs/dbraw/zinc/98/54/16/466985416.db2.gz HQVZMOXKMOXXCJ-MOPGFXCFSA-N 2 0 342.487 2.207 20 30 EEEDRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1 ZINC000424155579 466992290 /nfs/dbraw/zinc/99/22/90/466992290.db2.gz MXJWYWRTUOAQMZ-QZTJIDSGSA-N 2 0 328.460 2.269 20 30 EEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1 ZINC000600720427 468633957 /nfs/dbraw/zinc/63/39/57/468633957.db2.gz YJMPESBMHQADKO-LJQANCHMSA-N 2 0 339.439 2.149 20 30 EEEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844857 469113186 /nfs/dbraw/zinc/11/31/86/469113186.db2.gz GVNWWXYPKJQIKK-UHFFFAOYSA-N 2 0 349.438 2.494 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCF)CC1 ZINC000969156588 674648374 /nfs/dbraw/zinc/64/83/74/674648374.db2.gz XHFLNZUQIJNIDY-GOSISDBHSA-N 2 0 337.483 2.052 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182108 675942189 /nfs/dbraw/zinc/94/21/89/675942189.db2.gz IYDVBEAQPZMEEX-FQEVSTJZSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=C)C)CC1 ZINC001021469720 676118616 /nfs/dbraw/zinc/11/86/16/676118616.db2.gz IGOXDHFKXPWSPE-YQQQUEKLSA-N 2 0 329.488 2.019 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022166162 676713339 /nfs/dbraw/zinc/71/33/39/676713339.db2.gz NGQNHTQJVXSQBP-OTWHNJEPSA-N 2 0 340.471 2.169 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000971785638 676790585 /nfs/dbraw/zinc/79/05/85/676790585.db2.gz XLPGWTGTCBNIGE-SJLPKXTDSA-N 2 0 346.450 2.070 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332224 678556275 /nfs/dbraw/zinc/55/62/75/678556275.db2.gz OPPOQZCCGVDGER-CABCVRRESA-N 2 0 346.500 2.137 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336282 678565223 /nfs/dbraw/zinc/56/52/23/678565223.db2.gz VSDKNOHKLQWNLR-MAUKXSAKSA-N 2 0 325.472 2.308 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023509228 679347093 /nfs/dbraw/zinc/34/70/93/679347093.db2.gz ZEPWKKXWQHPZOG-SFHVURJKSA-N 2 0 341.499 2.256 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671966 679467468 /nfs/dbraw/zinc/46/74/68/679467468.db2.gz PXYAGQDYJZLFBA-MRXNPFEDSA-N 2 0 339.443 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001023761819 679567333 /nfs/dbraw/zinc/56/73/33/679567333.db2.gz JXBFHUZHZVJMIO-GOSISDBHSA-N 2 0 331.504 2.126 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001024039249 679772696 /nfs/dbraw/zinc/77/26/96/679772696.db2.gz SFJIIHGFCUJWNP-WMLDXEAASA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984800810 685276343 /nfs/dbraw/zinc/27/63/43/685276343.db2.gz TTWWLEJGASPMTR-RBSFLKMASA-N 2 0 346.500 2.088 20 30 EEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000924942409 681766102 /nfs/dbraw/zinc/76/61/02/681766102.db2.gz IFPWTFSXVQMTTA-KRWDZBQOSA-N 2 0 344.507 2.297 20 30 EEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974804888 685555094 /nfs/dbraw/zinc/55/50/94/685555094.db2.gz XLAHPBCUHJNEFF-KRWDZBQOSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453371 682793890 /nfs/dbraw/zinc/79/38/90/682793890.db2.gz QSHNQEHOVKURCU-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]12 ZINC001026319205 684253406 /nfs/dbraw/zinc/25/34/06/684253406.db2.gz QCKMUTNNFJCGRB-MISYRCLQSA-N 2 0 341.499 2.417 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001026605458 684782053 /nfs/dbraw/zinc/78/20/53/684782053.db2.gz PTJCBGQGVWLOFS-VIQWUECVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Br)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606406 684782978 /nfs/dbraw/zinc/78/29/78/684782978.db2.gz BCUHNHHXNXVCCY-UHFFFAOYSA-N 2 0 344.297 2.008 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001268084414 1181701118 /nfs/dbraw/zinc/70/11/18/1181701118.db2.gz FCNLMYZHJPUAEB-QAPCUYQASA-N 2 0 349.906 2.468 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001482429818 1185688623 /nfs/dbraw/zinc/68/86/23/1185688623.db2.gz VFBKETIOVXJLSM-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000083090128 1193433418 /nfs/dbraw/zinc/43/34/18/1193433418.db2.gz XVYIOEFOFSUTTM-DOTOQJQBSA-N 2 0 341.459 2.484 20 30 EEEDRP C=CCOC[C@H]1c2nnn(CC)c2CCN1C1CCC([NH+](C)C)CC1 ZINC001168318794 1188288516 /nfs/dbraw/zinc/28/85/16/1188288516.db2.gz GQBPTOATXWCDGD-HTWSVDAQSA-N 2 0 347.507 2.273 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101063994 1188530864 /nfs/dbraw/zinc/53/08/64/1188530864.db2.gz SJSSLOMTHHVIKE-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001272646578 1190955767 /nfs/dbraw/zinc/95/57/67/1190955767.db2.gz ROWRZIGDLYYKDI-HXUWFJFHSA-N 2 0 340.471 2.077 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001034649362 1196469059 /nfs/dbraw/zinc/46/90/59/1196469059.db2.gz HDLXJKRPRAJDOK-YHUYYLMFSA-N 2 0 327.900 2.486 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001034794429 1196731361 /nfs/dbraw/zinc/73/13/61/1196731361.db2.gz HCUFOIVJJWJZSF-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001034956937 1196916978 /nfs/dbraw/zinc/91/69/78/1196916978.db2.gz GWGIAIPZPIJXNX-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607091 1199699026 /nfs/dbraw/zinc/69/90/26/1199699026.db2.gz DBRNGRRTVYDPGB-ZWKOTPCHSA-N 2 0 341.499 2.395 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608326 1199699869 /nfs/dbraw/zinc/69/98/69/1199699869.db2.gz UOUSCSYOTBGWCP-STQMWFEESA-N 2 0 346.313 2.252 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC[C@H]1C ZINC001133122970 1200477622 /nfs/dbraw/zinc/47/76/22/1200477622.db2.gz WRRZJISNGAYWSW-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338143 1200762979 /nfs/dbraw/zinc/76/29/79/1200762979.db2.gz SERPXSHUVLXOSO-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128781015 1201630569 /nfs/dbraw/zinc/63/05/69/1201630569.db2.gz SSLXPEDNXKBGQO-HNNXBMFYSA-N 2 0 335.521 2.253 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1 ZINC001095556529 1205873191 /nfs/dbraw/zinc/87/31/91/1205873191.db2.gz WYIWJLIVFUWFNS-OWSLCNJRSA-N 2 0 343.496 2.067 20 30 EEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925644732 1206139587 /nfs/dbraw/zinc/13/95/87/1206139587.db2.gz LGXBFBHISJTETQ-KAYAHXBPSA-N 2 0 338.455 2.229 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000778156524 1207726722 /nfs/dbraw/zinc/72/67/22/1207726722.db2.gz WYWWLKUFRHYIHY-UHFFFAOYSA-N 2 0 349.906 2.469 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741114 1208454212 /nfs/dbraw/zinc/45/42/12/1208454212.db2.gz RLUFZISEWGCRSX-NJAFHUGGSA-N 2 0 337.427 2.179 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000948705644 1209312301 /nfs/dbraw/zinc/31/23/01/1209312301.db2.gz ITKFANPRFOSWKE-IEBWSBKVSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948898451 1209442950 /nfs/dbraw/zinc/44/29/50/1209442950.db2.gz IVCLDARMCWPMEK-OALUTQOASA-N 2 0 327.472 2.372 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001006445540 1209773262 /nfs/dbraw/zinc/77/32/62/1209773262.db2.gz JCXOVPALKBTFFJ-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OC1CCCC1 ZINC000303889846 1213921138 /nfs/dbraw/zinc/92/11/38/1213921138.db2.gz MFDPIAGMRARUPJ-INIZCTEOSA-N 2 0 345.491 2.292 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000303911792 1213923739 /nfs/dbraw/zinc/92/37/39/1213923739.db2.gz ZVDTZSNWANITJP-GOSISDBHSA-N 2 0 332.492 2.154 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001037125861 1213982314 /nfs/dbraw/zinc/98/23/14/1213982314.db2.gz OSPIGOFXARCORW-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC1CC1 ZINC000304757668 1216103372 /nfs/dbraw/zinc/10/33/72/1216103372.db2.gz PBQFZTMZARATJM-KRWDZBQOSA-N 2 0 330.476 2.364 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379025 1217166165 /nfs/dbraw/zinc/16/61/65/1217166165.db2.gz PPKRQVGMDIDABP-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410275 1217179313 /nfs/dbraw/zinc/17/93/13/1217179313.db2.gz GFGICTPXYGCLDC-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410406 1217179488 /nfs/dbraw/zinc/17/94/88/1217179488.db2.gz HNKARFUJIZGFIM-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315511 1217507691 /nfs/dbraw/zinc/50/76/91/1217507691.db2.gz UTEXWVYXXLCXHZ-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963357818 1217552361 /nfs/dbraw/zinc/55/23/61/1217552361.db2.gz AGKNTCVXSBPHFO-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681632 1221487762 /nfs/dbraw/zinc/48/77/62/1221487762.db2.gz KVCRTFIBEQBCBL-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100948 1221808742 /nfs/dbraw/zinc/80/87/42/1221808742.db2.gz MOPFPFGIHQKBAJ-IBGZPJMESA-N 2 0 333.520 2.491 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340733 1226367359 /nfs/dbraw/zinc/36/73/59/1226367359.db2.gz ZKEVZLDTNROUKZ-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017947614 1227905380 /nfs/dbraw/zinc/90/53/80/1227905380.db2.gz AIUMPQCGRCWHJA-BGYRXZFFSA-N 2 0 339.483 2.103 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018837509 1228445497 /nfs/dbraw/zinc/44/54/97/1228445497.db2.gz PAWBCYBSQPFQOM-WMLDXEAASA-N 2 0 346.500 2.183 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001019820352 1229363421 /nfs/dbraw/zinc/36/34/21/1229363421.db2.gz HDDZPMGXTUTZDG-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001020251394 1229583667 /nfs/dbraw/zinc/58/36/67/1229583667.db2.gz KNHGAWMEKAPMSV-FPXQBCRKSA-N 2 0 343.446 2.221 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143993 1230362741 /nfs/dbraw/zinc/36/27/41/1230362741.db2.gz FQWBJDNNNRAPDN-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165895 1230388302 /nfs/dbraw/zinc/38/83/02/1230388302.db2.gz ULDPFDCMFXNMQW-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001039249581 1230486347 /nfs/dbraw/zinc/48/63/47/1230486347.db2.gz CDFZPKSFDVLTPB-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356505 1231185053 /nfs/dbraw/zinc/18/50/53/1231185053.db2.gz IWIMSUMPTJWGJM-IBGZPJMESA-N 2 0 331.460 2.455 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757390 1231359524 /nfs/dbraw/zinc/35/95/24/1231359524.db2.gz RRMJUWYJROOURU-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586078 1231609801 /nfs/dbraw/zinc/60/98/01/1231609801.db2.gz HVXYJRQDEPNMLT-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723884 1231661911 /nfs/dbraw/zinc/66/19/11/1231661911.db2.gz LWFIKDGZKYXVCU-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776471 1231688858 /nfs/dbraw/zinc/68/88/58/1231688858.db2.gz BUBURGLUIANTHN-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366360 1232048942 /nfs/dbraw/zinc/04/89/42/1232048942.db2.gz VFZZJKLBYDENSE-MJGOQNOKSA-N 2 0 327.472 2.471 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020632 1233687330 /nfs/dbraw/zinc/68/73/30/1233687330.db2.gz NBTIUTOANYSDRY-AABGKKOBSA-N 2 0 339.483 2.149 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961139 1234236152 /nfs/dbraw/zinc/23/61/52/1234236152.db2.gz HMNXQRAIONJSCZ-FPOVZHCZSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001046730816 1235122619 /nfs/dbraw/zinc/12/26/19/1235122619.db2.gz GFTMEGDIOMCOIR-LJQANCHMSA-N 2 0 339.443 2.428 20 30 EEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000902376476 1237483485 /nfs/dbraw/zinc/48/34/85/1237483485.db2.gz NOMKWTBTMVFYLB-ROUUACIJSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582890 1238023022 /nfs/dbraw/zinc/02/30/22/1238023022.db2.gz XOSFVPMUINPGFG-BCDXTJNWSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862189 1239066526 /nfs/dbraw/zinc/06/65/26/1239066526.db2.gz STZFVTYPIISOIQ-SCTDSRPQSA-N 2 0 331.504 2.360 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001000104891 1239946443 /nfs/dbraw/zinc/94/64/43/1239946443.db2.gz OCTKGXCMRKQQOE-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290160 1240136529 /nfs/dbraw/zinc/13/65/29/1240136529.db2.gz OTMYPVVZCQVUKC-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC001000335091 1240180338 /nfs/dbraw/zinc/18/03/38/1240180338.db2.gz OJUOWROOYOMCKW-UHFFFAOYSA-N 2 0 339.483 2.356 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478558 1241077180 /nfs/dbraw/zinc/07/71/80/1241077180.db2.gz PTGWZZKQVFCEQW-GBESFXJTSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2cncc2C1 ZINC001049554920 1241394231 /nfs/dbraw/zinc/39/42/31/1241394231.db2.gz ILGWTIZUNUIBIU-YTQUADARSA-N 2 0 342.487 2.477 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677651 1241851544 /nfs/dbraw/zinc/85/15/44/1241851544.db2.gz VNVBBIJEDITEGK-SJORKVTESA-N 2 0 329.444 2.043 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787711 1242184871 /nfs/dbraw/zinc/18/48/71/1242184871.db2.gz JSAIQZXZSSLNML-WOJBJXKFSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835271 1242362000 /nfs/dbraw/zinc/36/20/00/1242362000.db2.gz HERMVPDPCOXDJU-IPMKNSEASA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050730750 1244236352 /nfs/dbraw/zinc/23/63/52/1244236352.db2.gz NEMAKWFUBKTTAC-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043780 1245754494 /nfs/dbraw/zinc/75/44/94/1245754494.db2.gz ZGSBOUCCVHXMSD-RTBURBONSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095199 1245891332 /nfs/dbraw/zinc/89/13/32/1245891332.db2.gz IHDCOURIWPIHRN-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105334 1245919715 /nfs/dbraw/zinc/91/97/15/1245919715.db2.gz NDQJVANSMNXHCW-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001101547701 1245951523 /nfs/dbraw/zinc/95/15/23/1245951523.db2.gz MYWKMTCMPXAWIA-SFHVURJKSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133535 1247483902 /nfs/dbraw/zinc/48/39/02/1247483902.db2.gz FMZSSLJUMAHGMY-QUCCMNQESA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159755 1247565080 /nfs/dbraw/zinc/56/50/80/1247565080.db2.gz YWKAUANLGASBCV-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225790 1247774534 /nfs/dbraw/zinc/77/45/34/1247774534.db2.gz DLNSSNSUIYYYHT-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001074878044 1257186717 /nfs/dbraw/zinc/18/67/17/1257186717.db2.gz XNHYZGSKLXRPOM-GJYPPUQNSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001099106927 1257970451 /nfs/dbraw/zinc/97/04/51/1257970451.db2.gz SDBGWDMHXLPKSH-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC[C@H](C)F)C3)CC1 ZINC001099174302 1257993581 /nfs/dbraw/zinc/99/35/81/1257993581.db2.gz GVUDQAHQMZUEMP-QRFRQXIXSA-N 2 0 349.494 2.050 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250590 1258034818 /nfs/dbraw/zinc/03/48/18/1258034818.db2.gz VEVJNELGNYKKFY-KFWWJZLASA-N 2 0 347.425 2.414 20 30 EEEDRP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310554 1258071755 /nfs/dbraw/zinc/07/17/55/1258071755.db2.gz PKKBGPNVZAJSIX-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099552903 1258201076 /nfs/dbraw/zinc/20/10/76/1258201076.db2.gz QDWYCDWVLUXTJA-RDGPPVDQSA-N 2 0 333.520 2.462 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099556031 1258205566 /nfs/dbraw/zinc/20/55/66/1258205566.db2.gz FCTMUSRIGUSOBX-RDGPPVDQSA-N 2 0 333.520 2.462 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185751318 1278785264 /nfs/dbraw/zinc/78/52/64/1278785264.db2.gz OZWYNSOWIHKKBB-MSOLQXFVSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001186980661 1279337625 /nfs/dbraw/zinc/33/76/25/1279337625.db2.gz BUVDQJFFRGUMMT-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675479 1281012662 /nfs/dbraw/zinc/01/26/62/1281012662.db2.gz ONVCAAOWPGMUCE-FQEVSTJZSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCC=C)C1 ZINC001190723712 1281032374 /nfs/dbraw/zinc/03/23/74/1281032374.db2.gz JCTUASIWYNHQQK-MOPGFXCFSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946587 1281723812 /nfs/dbraw/zinc/72/38/12/1281723812.db2.gz DQCGVRSTROEYLG-RTBURBONSA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001071086203 1286760752 /nfs/dbraw/zinc/76/07/52/1286760752.db2.gz UXVAGHZWSMTBKJ-POAQFYNOSA-N 2 0 349.519 2.033 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001211269346 1295791533 /nfs/dbraw/zinc/79/15/33/1295791533.db2.gz PYJIDUZKBGKSKI-KRWDZBQOSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599704 1297294644 /nfs/dbraw/zinc/29/46/44/1297294644.db2.gz LHTPOVCFKLBTFQ-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001276775294 1297592048 /nfs/dbraw/zinc/59/20/48/1297592048.db2.gz IBTDNGDFYZGLCW-YQQQUEKLSA-N 2 0 342.487 2.236 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353867 1299077520 /nfs/dbraw/zinc/07/75/20/1299077520.db2.gz HYHSLHIISXTYFG-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099527165 1299189282 /nfs/dbraw/zinc/18/92/82/1299189282.db2.gz BXIFDXRIPKJFNS-RDGPPVDQSA-N 2 0 345.531 2.156 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001099548723 1299210066 /nfs/dbraw/zinc/21/00/66/1299210066.db2.gz ZOLGIRXGQWLOGM-RDGPPVDQSA-N 2 0 343.515 2.217 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001102601838 1301276013 /nfs/dbraw/zinc/27/60/13/1301276013.db2.gz RUZOCJLGSMGLOA-VQIMIIECSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001103050204 1302129748 /nfs/dbraw/zinc/12/97/48/1302129748.db2.gz WXAJMMNWJRLPNU-HUUCEWRRSA-N 2 0 333.501 2.131 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001229243514 1302693483 /nfs/dbraw/zinc/69/34/83/1302693483.db2.gz OHNGUKIKECIHQS-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC001230783376 1303454566 /nfs/dbraw/zinc/45/45/66/1303454566.db2.gz GMNKJWDXLZZGLN-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C#N)c1 ZINC001232364760 1304094241 /nfs/dbraw/zinc/09/42/41/1304094241.db2.gz YIMHRAUAYQPPLT-UHFFFAOYSA-N 2 0 335.455 2.337 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988490 1304134912 /nfs/dbraw/zinc/13/49/12/1304134912.db2.gz JROYPWLOAQYJIH-ICSRJNTNSA-N 2 0 331.504 2.247 20 30 EEEDRP Cc1cc(F)cc(CN(C2CC[NH2+]CC2)[C@H]2CCN[C@H](C#N)C2)c1 ZINC001246952878 1310476170 /nfs/dbraw/zinc/47/61/70/1310476170.db2.gz ZDDPRXDLQYRVEJ-HKUYNNGSSA-N 2 0 330.451 2.332 20 30 EEEDRP C#CCOc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001138557695 1314630084 /nfs/dbraw/zinc/63/00/84/1314630084.db2.gz POKIBSTVCXKZHE-UHFFFAOYSA-N 2 0 331.504 2.404 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150394446 1316254246 /nfs/dbraw/zinc/25/42/46/1316254246.db2.gz JFFZJLQIYLJRTK-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001152393238 1316666977 /nfs/dbraw/zinc/66/69/77/1316666977.db2.gz JDVJCSNZUOSIQE-UHFFFAOYSA-N 2 0 335.451 2.119 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001152480488 1316677983 /nfs/dbraw/zinc/67/79/83/1316677983.db2.gz VJFXVDHILXOEJH-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109508 1318412310 /nfs/dbraw/zinc/41/23/10/1318412310.db2.gz PVCHVGUJZNQAFO-OAHLLOKOSA-N 2 0 348.466 2.364 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)Cc2ccccn2)CC1 ZINC001256423455 1318733386 /nfs/dbraw/zinc/73/33/86/1318733386.db2.gz CJZCZJBSAYWSMV-IBGZPJMESA-N 2 0 328.504 2.304 20 30 EEEDRP C[NH+]1CCN(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257010072 1318917613 /nfs/dbraw/zinc/91/76/13/1318917613.db2.gz SQNGKJOIUZDAOC-UHFFFAOYSA-N 2 0 326.488 2.421 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001163820595 1321224958 /nfs/dbraw/zinc/22/49/58/1321224958.db2.gz GLOJYYZUTAKVQI-MRXNPFEDSA-N 2 0 346.500 2.090 20 30 EEEDRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001165777388 1321583089 /nfs/dbraw/zinc/58/30/89/1321583089.db2.gz QXHPQEPQHZQAHU-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001166759802 1321783478 /nfs/dbraw/zinc/78/34/78/1321783478.db2.gz ZALCGWMRDRDYKD-UHFFFAOYSA-N 2 0 345.462 2.005 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001166972394 1321828569 /nfs/dbraw/zinc/82/85/69/1321828569.db2.gz YTCZYXAFYWGLGD-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C12CCC2 ZINC001203358134 1321869045 /nfs/dbraw/zinc/86/90/45/1321869045.db2.gz IHBJMYUJQJXHPU-MSOLQXFVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1F ZINC001205686123 1323244960 /nfs/dbraw/zinc/24/49/60/1323244960.db2.gz UJGZGMKDNZVTDB-PKOBYXMFSA-N 2 0 345.462 2.382 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206856868 1323634638 /nfs/dbraw/zinc/63/46/38/1323634638.db2.gz DMLQRXRPYDMJRV-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208331697 1324432178 /nfs/dbraw/zinc/43/21/78/1324432178.db2.gz VZDVOCIQKLRAIV-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001208453639 1324505994 /nfs/dbraw/zinc/50/59/94/1324505994.db2.gz MBJDJMNQGCGSFV-AWEZNQCLSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210483518 1325304919 /nfs/dbraw/zinc/30/49/19/1325304919.db2.gz ZVHRJFHMOSLFHZ-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001340044220 1337115383 /nfs/dbraw/zinc/11/53/83/1337115383.db2.gz GQCOCBMNCCRKMV-OAHLLOKOSA-N 2 0 325.522 2.148 20 30 EEEDRP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579185745 1344349275 /nfs/dbraw/zinc/34/92/75/1344349275.db2.gz MELBTUFROBWCHS-KVSKMBFKSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001121340690 1371869702 /nfs/dbraw/zinc/86/97/02/1371869702.db2.gz FCLVVGSWDVSZJI-UHFFFAOYSA-N 2 0 331.504 2.290 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001368474200 1374416146 /nfs/dbraw/zinc/41/61/46/1374416146.db2.gz FRESLVKXNXUSLW-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001370079448 1374789427 /nfs/dbraw/zinc/78/94/27/1374789427.db2.gz MWNBVGSAPOFHAC-HUUCEWRRSA-N 2 0 327.900 2.296 20 30 EEEDRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001371769298 1375626320 /nfs/dbraw/zinc/62/63/20/1375626320.db2.gz JKEMJEZEJYZZAD-CQSZACIVSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001390076824 1388431844 /nfs/dbraw/zinc/43/18/44/1388431844.db2.gz OKIJORIKLRAGQY-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001390152086 1388463934 /nfs/dbraw/zinc/46/39/34/1388463934.db2.gz AYESTQQQXJDIAT-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001378611862 1380104536 /nfs/dbraw/zinc/10/45/36/1380104536.db2.gz KBQVJDWQUVBCLF-KDOFPFPSSA-N 2 0 348.466 2.125 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001379324962 1380682023 /nfs/dbraw/zinc/68/20/23/1380682023.db2.gz PYUBBLUWVDLACW-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001381177932 1381547534 /nfs/dbraw/zinc/54/75/34/1381547534.db2.gz YJVOXNKHPHUCQD-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397100260 1391078323 /nfs/dbraw/zinc/07/83/23/1391078323.db2.gz QWLNAJGRORIQRZ-WOVMCDHWSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001399392957 1395035873 /nfs/dbraw/zinc/03/58/73/1395035873.db2.gz VVTJDOOWRWNMKA-CYBMUJFWSA-N 2 0 333.823 2.118 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001399941903 1395702906 /nfs/dbraw/zinc/70/29/06/1395702906.db2.gz WTDNUEGXYNXQER-WMLDXEAASA-N 2 0 348.516 2.144 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(C#N)c2)CC1 ZINC001425432407 1401561311 /nfs/dbraw/zinc/56/13/11/1401561311.db2.gz IYCWJYXFVSVKOB-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001755184061 1407189311 /nfs/dbraw/zinc/18/93/11/1407189311.db2.gz MMBGTVKTTQHLEB-UHFFFAOYSA-N 2 0 333.520 2.445 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001425594750 1401650062 /nfs/dbraw/zinc/65/00/62/1401650062.db2.gz NAKXOFASACUOHD-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP C=CC1(CC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C[NH2+]C1 ZINC001574880148 1403527072 /nfs/dbraw/zinc/52/70/72/1403527072.db2.gz PAUMPTFKFVOIGH-SFHVURJKSA-N 2 0 343.471 2.114 20 30 EEEDRP C[N@@H+](CC#Cc1ccccc1Cl)CCCNC(=O)C[NH+]1CCCC1 ZINC001752112437 1406212990 /nfs/dbraw/zinc/21/29/90/1406212990.db2.gz DOGRMSOGYGWEKW-UHFFFAOYSA-N 2 0 347.890 2.225 20 30 EEEDRP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001755490010 1407526818 /nfs/dbraw/zinc/52/68/18/1407526818.db2.gz IHBXESYASWVBHW-MJGOQNOKSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC001755852238 1407903745 /nfs/dbraw/zinc/90/37/45/1407903745.db2.gz QLLRKTZCVKPKHP-ZIAGYGMSSA-N 2 0 345.409 2.027 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397053 1410895821 /nfs/dbraw/zinc/89/58/21/1410895821.db2.gz QKNXGDIATUGXOE-ZVDOUQERSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625376 761219909 /nfs/dbraw/zinc/21/99/09/761219909.db2.gz CRUMBXGWCISGGL-RBUKOAKNSA-N 2 0 341.499 2.324 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@@H]21 ZINC001087293167 761498378 /nfs/dbraw/zinc/49/83/78/761498378.db2.gz ZKPUTJNETRHGCL-ZTFGCOKTSA-N 2 0 336.439 2.415 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967819 782664356 /nfs/dbraw/zinc/66/43/56/782664356.db2.gz NMKQVMTWVMRYST-CEXWTWQISA-N 2 0 331.504 2.075 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105066928 768986813 /nfs/dbraw/zinc/98/68/13/768986813.db2.gz GTJAPNLRICWMFC-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457584 769411307 /nfs/dbraw/zinc/41/13/07/769411307.db2.gz BXQFSGZLABQJPP-QGZVFWFLSA-N 2 0 333.520 2.491 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213437782 770028766 /nfs/dbraw/zinc/02/87/66/770028766.db2.gz JKVIGBSFCKAUBE-RCCFBDPRSA-N 2 0 339.524 2.257 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089560832 770359766 /nfs/dbraw/zinc/35/97/66/770359766.db2.gz IETSCBFSQMRGBD-SFHVURJKSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088141846 782970849 /nfs/dbraw/zinc/97/08/49/782970849.db2.gz GOJPQRRQAIGRRI-UXHICEINSA-N 2 0 339.483 2.165 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C\Cl)[C@@H](C)C2)CC1 ZINC000948070317 773435222 /nfs/dbraw/zinc/43/52/22/773435222.db2.gz OLJSUJBGMCLXBO-JOTWQWQBSA-N 2 0 337.895 2.053 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980080087 773833418 /nfs/dbraw/zinc/83/34/18/773833418.db2.gz AJQWNFQRXGETMH-BZSNNMDCSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886661 774010243 /nfs/dbraw/zinc/01/02/43/774010243.db2.gz VQFJAJJUUDTOOD-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC000980257503 774202277 /nfs/dbraw/zinc/20/22/77/774202277.db2.gz UQAHMWMFRFIAHS-YTQUADARSA-N 2 0 339.483 2.212 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779268 783186938 /nfs/dbraw/zinc/18/69/38/783186938.db2.gz LWOUMMNEMCEXNT-QRVBRYPASA-N 2 0 333.520 2.465 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971558 775434712 /nfs/dbraw/zinc/43/47/12/775434712.db2.gz HJRMQPNZWOBLEO-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)CC1 ZINC001091377123 790497860 /nfs/dbraw/zinc/49/78/60/790497860.db2.gz AEFCXTKCBVCFSO-UHFFFAOYSA-N 2 0 343.515 2.316 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)CC1 ZINC001091377550 790505686 /nfs/dbraw/zinc/50/56/86/790505686.db2.gz LZDBRENSTCIMRG-UHFFFAOYSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC000957422409 778066646 /nfs/dbraw/zinc/06/66/46/778066646.db2.gz YTPPOHPBIFJKET-UHFFFAOYSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1occc1C[NH+](C)C ZINC001089856655 778338043 /nfs/dbraw/zinc/33/80/43/778338043.db2.gz ULSNNUHKEUBUNM-HPBDAGMYSA-N 2 0 343.471 2.310 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089858450 778465569 /nfs/dbraw/zinc/46/55/69/778465569.db2.gz AVOBTIRLTHXTIR-VJANTYMQSA-N 2 0 345.531 2.463 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279743 779507977 /nfs/dbraw/zinc/50/79/77/779507977.db2.gz GGSFXIYVDKGTTQ-YSIASYRMSA-N 2 0 331.504 2.075 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305994 779657684 /nfs/dbraw/zinc/65/76/84/779657684.db2.gz CLUDEUJVPXXXLL-JYRKZWEQSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001135315523 783599831 /nfs/dbraw/zinc/59/98/31/783599831.db2.gz PIGLXTOMCWDGLL-KGLIPLIRSA-N 2 0 336.505 2.334 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035196101 784027160 /nfs/dbraw/zinc/02/71/60/784027160.db2.gz SPGRQVOOMCHCMQ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035257694 784207702 /nfs/dbraw/zinc/20/77/02/784207702.db2.gz BVGBEGDXHVQNAJ-OAHLLOKOSA-N 2 0 325.884 2.005 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135743248 784350987 /nfs/dbraw/zinc/35/09/87/784350987.db2.gz HMDVPDUQEKUIDX-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544348 787565739 /nfs/dbraw/zinc/56/57/39/787565739.db2.gz YWQLAYVWDFGHHY-QWFCFKBJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566652 787672005 /nfs/dbraw/zinc/67/20/05/787672005.db2.gz DFXNXZOIWZZTJL-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005986753 789156369 /nfs/dbraw/zinc/15/63/69/789156369.db2.gz LTKBVWUTKUFLHB-IBGZPJMESA-N 2 0 337.483 2.145 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946892721 789413156 /nfs/dbraw/zinc/41/31/56/789413156.db2.gz JMZOJRBMILHVSB-IYBDPMFKSA-N 2 0 325.884 2.005 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997192044 789416086 /nfs/dbraw/zinc/41/60/86/789416086.db2.gz UMKZBDQLBVJGBY-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001091100335 789804341 /nfs/dbraw/zinc/80/43/41/789804341.db2.gz QCYIHHWJFHRVIG-XUJQIHCRSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997387349 789878927 /nfs/dbraw/zinc/87/89/27/789878927.db2.gz LGOVYARUSDDJNS-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001091235225 790199790 /nfs/dbraw/zinc/19/97/90/790199790.db2.gz SRWNZSJBZZDFSV-UHFFFAOYSA-N 2 0 329.488 2.465 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001146340152 791212771 /nfs/dbraw/zinc/21/27/71/791212771.db2.gz OUSKIBHRLLSAKS-HOTGVXAUSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591860 791359942 /nfs/dbraw/zinc/35/99/42/791359942.db2.gz HPWSWJBBWDUEPF-GJZGRUSLSA-N 2 0 348.466 2.410 20 30 EEEDRP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098404 792095208 /nfs/dbraw/zinc/09/52/08/792095208.db2.gz PBACDFASNBFRCD-IAGOWNOFSA-N 2 0 339.499 2.296 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927045 793006293 /nfs/dbraw/zinc/00/62/93/793006293.db2.gz QPYCHINFBPXELI-QGZVFWFLSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956093 793097546 /nfs/dbraw/zinc/09/75/46/793097546.db2.gz DZIZYGBURXGTBL-HZPDHXFCSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](CCF)CC3)CC1 ZINC001086958708 793104924 /nfs/dbraw/zinc/10/49/24/793104924.db2.gz ZEVNKOAIGWTIDQ-QGZVFWFLSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947723 793452514 /nfs/dbraw/zinc/45/25/14/793452514.db2.gz MHILQRMLPLDQRK-LMNJBCLMSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC2(CCOCC2)C1 ZINC001089939408 793764277 /nfs/dbraw/zinc/76/42/77/793764277.db2.gz PCUGHSVBBJKMQU-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224226 794879012 /nfs/dbraw/zinc/87/90/12/794879012.db2.gz OETPCADNPLHHSA-SJLPKXTDSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094414059 796201604 /nfs/dbraw/zinc/20/16/04/796201604.db2.gz RDKRUCMUWNGRNL-QWFCFKBJSA-N 2 0 331.504 2.243 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172307871 796951373 /nfs/dbraw/zinc/95/13/73/796951373.db2.gz JYUVKCBCXNVFQO-LSTHTHJFSA-N 2 0 326.488 2.199 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200094 797291480 /nfs/dbraw/zinc/29/14/80/797291480.db2.gz QDHBGRSDDWXJDG-FGTMMUONSA-N 2 0 337.508 2.031 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082743046 797675885 /nfs/dbraw/zinc/67/58/85/797675885.db2.gz DTLLOEPNKZLFFH-IIDMSEBBSA-N 2 0 325.472 2.212 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822622 798359153 /nfs/dbraw/zinc/35/91/53/798359153.db2.gz NJKXQNIZEAMSKK-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176309714 798426635 /nfs/dbraw/zinc/42/66/35/798426635.db2.gz WWTXNKGJQBTKBM-UHFFFAOYSA-N 2 0 346.313 2.257 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]cn1 ZINC001177339288 798873224 /nfs/dbraw/zinc/87/32/24/798873224.db2.gz BLJLZCNONKCDGI-UHFFFAOYSA-N 2 0 330.476 2.364 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001150794487 799445514 /nfs/dbraw/zinc/44/55/14/799445514.db2.gz KQLSDLAICSWIPA-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001179792603 800104166 /nfs/dbraw/zinc/10/41/66/800104166.db2.gz TVBOWAJRGPSYSU-UHFFFAOYSA-N 2 0 349.523 2.291 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085200257 800237405 /nfs/dbraw/zinc/23/74/05/800237405.db2.gz AOJGMCMLZZMEBV-BZUAXINKSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181728254 800882673 /nfs/dbraw/zinc/88/26/73/800882673.db2.gz JBQICPUWZRGHTA-WSTZPKSXSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108215056 801469999 /nfs/dbraw/zinc/46/99/99/801469999.db2.gz AKPFEQDJPGRCNK-IBGZPJMESA-N 2 0 339.524 2.138 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184411605 802023721 /nfs/dbraw/zinc/02/37/21/802023721.db2.gz FLJAJNCTKFVDCB-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001184496617 802037408 /nfs/dbraw/zinc/03/74/08/802037408.db2.gz DJXKBKBGMRZUBN-HUUCEWRRSA-N 2 0 333.501 2.131 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001185072766 802336589 /nfs/dbraw/zinc/33/65/89/802336589.db2.gz KGFQGPSDULKTFJ-AZUAARDMSA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC)CC2)CC1 ZINC001004618933 802496151 /nfs/dbraw/zinc/49/61/51/802496151.db2.gz IEZBGIQWTYJQNG-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413320 802915334 /nfs/dbraw/zinc/91/53/34/802915334.db2.gz CKELADGTRBTSEA-JYJNAYRXSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946729204 802916452 /nfs/dbraw/zinc/91/64/52/802916452.db2.gz XVNPABMVKUBTHE-CEXWTWQISA-N 2 0 333.520 2.465 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197534 803044402 /nfs/dbraw/zinc/04/44/02/803044402.db2.gz IEJBGLJLBJBAAC-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108405313 803475924 /nfs/dbraw/zinc/47/59/24/803475924.db2.gz YIHPPTKCUJYLLT-IBGZPJMESA-N 2 0 337.508 2.036 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808721 804084738 /nfs/dbraw/zinc/08/47/38/804084738.db2.gz DHAQLQQFWXXCNM-VQIMIIECSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001112964477 807714875 /nfs/dbraw/zinc/71/48/75/807714875.db2.gz XVRKURPGVDXCHW-PKOBYXMFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001131512081 812929549 /nfs/dbraw/zinc/92/95/49/812929549.db2.gz MLXILWNWNICNOO-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001439880366 1092929223 /nfs/dbraw/zinc/92/92/23/1092929223.db2.gz AZMXXWHUURWXHN-HXUWFJFHSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001440315673 1093449318 /nfs/dbraw/zinc/44/93/18/1093449318.db2.gz WZCJUWZCVBLBNJ-IYBDPMFKSA-N 2 0 327.900 2.489 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441932602 1096123299 /nfs/dbraw/zinc/12/32/99/1096123299.db2.gz PJAMBCBYOILQGM-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001442256484 1096558104 /nfs/dbraw/zinc/55/81/04/1096558104.db2.gz VEMYZKJFSPBIGI-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001444089912 1098621559 /nfs/dbraw/zinc/62/15/59/1098621559.db2.gz NTFOXVDYFACMES-ZDUSSCGKSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001445118968 1100364484 /nfs/dbraw/zinc/36/44/84/1100364484.db2.gz UGRWBSDZFRDFQB-HZPDHXFCSA-N 2 0 327.900 2.345 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001446421670 1100834319 /nfs/dbraw/zinc/83/43/19/1100834319.db2.gz QMBWQSFFNMQIPV-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001446565504 1101048545 /nfs/dbraw/zinc/04/85/45/1101048545.db2.gz QQQHVRSWKFFZNZ-HXUWFJFHSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001447635294 1103005356 /nfs/dbraw/zinc/00/53/56/1103005356.db2.gz MZRUXEPLZGEJPA-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001507129885 1115124070 /nfs/dbraw/zinc/12/40/70/1115124070.db2.gz YWXHOXWJFOBZDS-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000491392450 246015911 /nfs/dbraw/zinc/01/59/11/246015911.db2.gz CBUSTCRSMXAFFO-GOSISDBHSA-N 2 0 341.455 2.356 20 30 EEEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995215201 782002829 /nfs/dbraw/zinc/00/28/29/782002829.db2.gz TVBHRRPFEDUKDR-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP C[C@H](CC[NH+](C)C)Nc1ccc(C#N)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000277510752 267149885 /nfs/dbraw/zinc/14/98/85/267149885.db2.gz ACPHCYFQKMUYEE-CABCVRRESA-N 2 0 332.496 2.457 20 30 EEEDRP C=C1CCN(CC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000341991015 465283034 /nfs/dbraw/zinc/28/30/34/465283034.db2.gz FCCGFZYHZIYPHT-UHFFFAOYSA-N 2 0 327.472 2.291 20 30 EEEDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000056523520 463407471 /nfs/dbraw/zinc/40/74/71/463407471.db2.gz NDYAKIUPTNVSKO-IBGZPJMESA-N 2 0 345.487 2.156 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166471041 463656191 /nfs/dbraw/zinc/65/61/91/463656191.db2.gz MUZUICVKQZYMIJ-QZTJIDSGSA-N 2 0 325.460 2.138 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628275 463686200 /nfs/dbraw/zinc/68/62/00/463686200.db2.gz CEARHLXILFDEGM-LJQANCHMSA-N 2 0 342.487 2.241 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000171554593 463882519 /nfs/dbraw/zinc/88/25/19/463882519.db2.gz FZKCNHDUQZFONM-UHFFFAOYSA-N 2 0 334.508 2.201 20 30 EEEDRP [NH2+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1 ZINC000264067185 464278429 /nfs/dbraw/zinc/27/84/29/464278429.db2.gz BSIKPGJSPXDSHT-UHFFFAOYSA-N 3 0 338.459 2.021 20 30 EEEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000264066127 464278503 /nfs/dbraw/zinc/27/85/03/464278503.db2.gz FACHXNASGMUOGA-IBGZPJMESA-N 2 0 343.519 2.174 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000264091407 464282679 /nfs/dbraw/zinc/28/26/79/464282679.db2.gz KXMBQLJLKLQXNU-MRXNPFEDSA-N 2 0 330.476 2.208 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282234092 464746237 /nfs/dbraw/zinc/74/62/37/464746237.db2.gz FSZWKJYWPMYURL-UHFFFAOYSA-N 2 0 329.488 2.204 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329879792 465459816 /nfs/dbraw/zinc/45/98/16/465459816.db2.gz MTBCIYXGHICWIA-HUUCEWRRSA-N 2 0 331.464 2.294 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000417518813 466875072 /nfs/dbraw/zinc/87/50/72/466875072.db2.gz DDOLDROGZCPSJV-UHFFFAOYSA-N 2 0 334.508 2.202 20 30 EEEDRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156790 466993486 /nfs/dbraw/zinc/99/34/86/466993486.db2.gz QCAFSFYDHGFWSP-QAPCUYQASA-N 2 0 344.459 2.367 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528370517 467682261 /nfs/dbraw/zinc/68/22/61/467682261.db2.gz DUOLYYSXIDXCQA-IBGZPJMESA-N 2 0 345.487 2.350 20 30 EEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693901 468170135 /nfs/dbraw/zinc/17/01/35/468170135.db2.gz MLVSAZSSEVMPSL-MNEFBYGVSA-N 2 0 340.471 2.166 20 30 EEEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000567692266 468185337 /nfs/dbraw/zinc/18/53/37/468185337.db2.gz RJLOJWKUYGUPCL-LJQANCHMSA-N 2 0 345.487 2.346 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600714669 468630050 /nfs/dbraw/zinc/63/00/50/468630050.db2.gz BBXROSLALKFUSN-SCTDSRPQSA-N 2 0 345.487 2.256 20 30 EEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600718258 468632141 /nfs/dbraw/zinc/63/21/41/468632141.db2.gz WOHDEMLWXMSEHG-MJGOQNOKSA-N 2 0 345.487 2.400 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600721429 468633798 /nfs/dbraw/zinc/63/37/98/468633798.db2.gz MGGXJLUHPCDAGK-WMZOPIPTSA-N 2 0 331.460 2.008 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600721422 468634389 /nfs/dbraw/zinc/63/43/89/468634389.db2.gz MGGXJLUHPCDAGK-AEFFLSMTSA-N 2 0 331.460 2.008 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702350 470281763 /nfs/dbraw/zinc/28/17/63/470281763.db2.gz FSEYVUIIPMUMFC-OAQYLSRUSA-N 2 0 343.515 2.254 20 30 EEEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000104162876 534174148 /nfs/dbraw/zinc/17/41/48/534174148.db2.gz XWZLTCKJWACDNK-INIZCTEOSA-N 2 0 330.476 2.065 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000106334055 526591017 /nfs/dbraw/zinc/59/10/17/526591017.db2.gz ZZBUZYUZXWRLGC-KRWDZBQOSA-N 2 0 336.524 2.448 20 30 EEEDRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000264986551 535964780 /nfs/dbraw/zinc/96/47/80/535964780.db2.gz AEZDXEPBZRQXPQ-CYBMUJFWSA-N 2 0 334.851 2.424 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1 ZINC001020679136 675402249 /nfs/dbraw/zinc/40/22/49/675402249.db2.gz HFCBIUKLMWWLRA-WGSAOQKQSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326655 675790309 /nfs/dbraw/zinc/79/03/09/675790309.db2.gz UVTVVHBTTGCPOD-VQIMIIECSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637003 676292398 /nfs/dbraw/zinc/29/23/98/676292398.db2.gz VVIPSELAWKLMHS-LPHOPBHVSA-N 2 0 336.439 2.284 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671659 676327027 /nfs/dbraw/zinc/32/70/27/676327027.db2.gz UWLLKQPNLMRTHQ-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000971736807 676768397 /nfs/dbraw/zinc/76/83/97/676768397.db2.gz SMCUTHZSEVARAK-OALUTQOASA-N 2 0 342.487 2.177 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4nccn43)C2)c1 ZINC001022423914 676891815 /nfs/dbraw/zinc/89/18/15/676891815.db2.gz MKAXCRGKSSQFQL-CALCHBBNSA-N 2 0 345.406 2.257 20 30 EEEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972409433 678699585 /nfs/dbraw/zinc/69/95/85/678699585.db2.gz OKACXFLGCYUCSC-UYAOXDASSA-N 2 0 349.519 2.129 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365462 679883285 /nfs/dbraw/zinc/88/32/85/679883285.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024478528 679951463 /nfs/dbraw/zinc/95/14/63/679951463.db2.gz SPRVEURRMPQDSJ-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982831684 681353035 /nfs/dbraw/zinc/35/30/35/681353035.db2.gz PWLFLAXVPOGWKP-OYRHEFFESA-N 2 0 339.483 2.165 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC001025160677 682133832 /nfs/dbraw/zinc/13/38/32/682133832.db2.gz QINRLVRRDKFKOQ-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001025277041 682381845 /nfs/dbraw/zinc/38/18/45/682381845.db2.gz MSEWZHWBNYLXGT-MOPGFXCFSA-N 2 0 349.519 2.130 20 30 EEEDRP Cc1cc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000261989356 682746599 /nfs/dbraw/zinc/74/65/99/682746599.db2.gz LCFNOVFYJKYPJV-UHFFFAOYSA-N 2 0 327.432 2.052 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585073 683041806 /nfs/dbraw/zinc/04/18/06/683041806.db2.gz NFNGVIARRPMTHE-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596784 683078336 /nfs/dbraw/zinc/07/83/36/683078336.db2.gz HHZRMYMXAQEUIS-HOTGVXAUSA-N 2 0 328.460 2.001 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001026299547 684218958 /nfs/dbraw/zinc/21/89/58/684218958.db2.gz WOVKVTOJKIADKW-CGTJXYLNSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001026428825 684634547 /nfs/dbraw/zinc/63/45/47/684634547.db2.gz NMLKFFCNUNDEMQ-YESZJQIVSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000985529786 687104553 /nfs/dbraw/zinc/10/45/53/687104553.db2.gz SYVZVTLJFSZSCK-UHFFFAOYSA-N 2 0 339.443 2.380 20 30 EEEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NCC1([NH+](C)C)CCCCCC1 ZINC000262826871 688545984 /nfs/dbraw/zinc/54/59/84/688545984.db2.gz QQEDMQQWCZTFAB-UHFFFAOYSA-N 2 0 348.539 2.357 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C[C@@H]2C)CC1 ZINC000989829354 692355475 /nfs/dbraw/zinc/35/54/75/692355475.db2.gz RTYKDOHHLYUFKP-YJBOKZPZSA-N 2 0 345.512 2.172 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635910 692847199 /nfs/dbraw/zinc/84/71/99/692847199.db2.gz BFOFSVHYMULJPI-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948228 1177872488 /nfs/dbraw/zinc/87/24/88/1177872488.db2.gz LNAJWWOZDWCXDO-YJBOKZPZSA-N 2 0 347.890 2.270 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037636 1192970066 /nfs/dbraw/zinc/97/00/66/1192970066.db2.gz YXECZWIMQKUHPS-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001088406678 1186815562 /nfs/dbraw/zinc/81/55/62/1186815562.db2.gz CCLPXPIALAJETF-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+](CC)CC)CCO2 ZINC001105483997 1188100821 /nfs/dbraw/zinc/10/08/21/1188100821.db2.gz RHLFSEAZEFKWOI-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCCC)CC2)CC1 ZINC001168320867 1188290239 /nfs/dbraw/zinc/29/02/39/1188290239.db2.gz UPVFCMSUBUTNAA-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CCN(CCCC#N)C2=O)CC1 ZINC001272870641 1193586477 /nfs/dbraw/zinc/58/64/77/1193586477.db2.gz RUEQLMMEOLGXDM-UHFFFAOYSA-N 2 0 334.508 2.192 20 30 EEEDRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001485882001 1193628134 /nfs/dbraw/zinc/62/81/34/1193628134.db2.gz NHHYOWCUPCLIFZ-CYBMUJFWSA-N 2 0 334.489 2.041 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001483943304 1191126081 /nfs/dbraw/zinc/12/60/81/1191126081.db2.gz SZRUVVXEYKXSQP-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700264 1195092658 /nfs/dbraw/zinc/09/26/58/1195092658.db2.gz VPEDLAMXTKTATE-INIZCTEOSA-N 2 0 331.460 2.291 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444578 1196219235 /nfs/dbraw/zinc/21/92/35/1196219235.db2.gz JHIDZWBEFBBEKU-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001034538882 1196362792 /nfs/dbraw/zinc/36/27/92/1196362792.db2.gz UHGZQZDDGWUWLG-VWTAQGJOSA-N 2 0 337.895 2.055 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132154321 1199364946 /nfs/dbraw/zinc/36/49/46/1199364946.db2.gz YROLQVSYXHOVAS-NVXWUHKLSA-N 2 0 342.443 2.120 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133082395 1200412884 /nfs/dbraw/zinc/41/28/84/1200412884.db2.gz GAWACNLBRFWOCG-CJNGLKHVSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001275975873 1205613005 /nfs/dbraw/zinc/61/30/05/1205613005.db2.gz ZEIADKOPYGKLSB-HSALFYBXSA-N 2 0 343.515 2.055 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccccc1CC#N)C2 ZINC001276242276 1205850836 /nfs/dbraw/zinc/85/08/36/1205850836.db2.gz IWZDMZNJZDOABL-UHFFFAOYSA-N 2 0 326.488 2.212 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110958950 1206444696 /nfs/dbraw/zinc/44/46/96/1206444696.db2.gz BFTQWFZSHQVBLS-QRVBRYPASA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947537139 1208610748 /nfs/dbraw/zinc/61/07/48/1208610748.db2.gz LMZQQXVGOZNHOT-HOTGVXAUSA-N 2 0 339.443 2.426 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536943 1208611191 /nfs/dbraw/zinc/61/11/91/1208611191.db2.gz KDHQTBPKHIQEFT-LSDHHAIUSA-N 2 0 325.416 2.036 20 30 EEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)CC(C)C ZINC000303774781 1213903852 /nfs/dbraw/zinc/90/38/52/1213903852.db2.gz GCPPOGNRLCXBNT-IRXDYDNUSA-N 3 0 325.545 2.132 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Br ZINC000303771055 1213903895 /nfs/dbraw/zinc/90/38/95/1213903895.db2.gz CHQIOFVLPWEOBM-CYBMUJFWSA-N 2 0 339.281 2.338 20 30 EEEDRP CCN(CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303771912 1213904059 /nfs/dbraw/zinc/90/40/59/1213904059.db2.gz CZOBBXQJKSCYGC-GOSISDBHSA-N 2 0 331.508 2.292 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957549936 1215202291 /nfs/dbraw/zinc/20/22/91/1215202291.db2.gz CBEHZKAOEXZHKH-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593476 1215239261 /nfs/dbraw/zinc/23/92/61/1215239261.db2.gz ZBALEANYGNRMHD-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960479682 1216615250 /nfs/dbraw/zinc/61/52/50/1216615250.db2.gz PKFSYWBZVKSHMH-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960485245 1216620015 /nfs/dbraw/zinc/62/00/15/1216620015.db2.gz CJCLVQULKMGORE-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277068 1217123898 /nfs/dbraw/zinc/12/38/98/1217123898.db2.gz AGEJWXCNNFMQFN-SJORKVTESA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CCC)C3)C2)CC1 ZINC000961290935 1217130772 /nfs/dbraw/zinc/13/07/72/1217130772.db2.gz FDGUJIDZKFUGCI-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961396144 1217173251 /nfs/dbraw/zinc/17/32/51/1217173251.db2.gz MLVZPHGWICQYDE-IHPCNDPISA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961400524 1217175569 /nfs/dbraw/zinc/17/55/69/1217175569.db2.gz HSNWQJVWYZQYMF-RBUKOAKNSA-N 2 0 333.520 2.156 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410271 1217179265 /nfs/dbraw/zinc/17/92/65/1217179265.db2.gz GFGICTPXYGCLDC-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381690 1217578267 /nfs/dbraw/zinc/57/82/67/1217578267.db2.gz BQDSZPIRLDEBNF-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384293 1217580756 /nfs/dbraw/zinc/58/07/56/1217580756.db2.gz SSEDBMYZBYUWGF-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384103 1217580784 /nfs/dbraw/zinc/58/07/84/1217580784.db2.gz QIBBAAJMLJJAML-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC000963428010 1217622048 /nfs/dbraw/zinc/62/20/48/1217622048.db2.gz JHLAQQCEYXPOSB-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccsc3)C2)CC1 ZINC001009626102 1223308062 /nfs/dbraw/zinc/30/80/62/1223308062.db2.gz ICZNZENNWSLGGP-SFHVURJKSA-N 2 0 345.512 2.174 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016680840 1226769585 /nfs/dbraw/zinc/76/95/85/1226769585.db2.gz DKVZSHVIXMUKFA-KRWDZBQOSA-N 2 0 331.504 2.409 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818081 1226901347 /nfs/dbraw/zinc/90/13/47/1226901347.db2.gz BHIAMOKWMODRDG-OXQOHEQNSA-N 2 0 349.494 2.193 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001039042179 1230258311 /nfs/dbraw/zinc/25/83/11/1230258311.db2.gz MYARGYNPFKNYRX-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163391 1230384472 /nfs/dbraw/zinc/38/44/72/1230384472.db2.gz BQXKYRZGNPXVCR-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277253 1231148229 /nfs/dbraw/zinc/14/82/29/1231148229.db2.gz ZJOHMDYJAOLRKV-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433238 1231230166 /nfs/dbraw/zinc/23/01/66/1231230166.db2.gz VAZFULYHZUUPDI-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432148 1231544694 /nfs/dbraw/zinc/54/46/94/1231544694.db2.gz OLUUBBGNEZOZKZ-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041680813 1231648375 /nfs/dbraw/zinc/64/83/75/1231648375.db2.gz VULHQLNXABRBKS-UXHICEINSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001042367570 1232049544 /nfs/dbraw/zinc/04/95/44/1232049544.db2.gz HZVUGUZRPZNQNZ-QUCCMNQESA-N 2 0 343.515 2.221 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858034 1233320202 /nfs/dbraw/zinc/32/02/02/1233320202.db2.gz PJIIGPAZMUYBIJ-CABCVRRESA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC[C@H](C)F)CC2)CC1 ZINC001045647081 1233880913 /nfs/dbraw/zinc/88/09/13/1233880913.db2.gz QPXIMXXUCRVBRM-INIZCTEOSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001045671191 1233898400 /nfs/dbraw/zinc/89/84/00/1233898400.db2.gz FPNIVDFORGZFLK-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937534 1234191123 /nfs/dbraw/zinc/19/11/23/1234191123.db2.gz FVTFUDXFXLQBPF-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982101 1234275035 /nfs/dbraw/zinc/27/50/35/1234275035.db2.gz NWYZTSDJFLNIGV-FQEVSTJZSA-N 2 0 342.487 2.081 20 30 EEEDRP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950586 1235346222 /nfs/dbraw/zinc/34/62/22/1235346222.db2.gz IPMPFFAPSNJTLG-OAHLLOKOSA-N 2 0 341.446 2.264 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047255591 1235758796 /nfs/dbraw/zinc/75/87/96/1235758796.db2.gz BGASKGQXHJISOT-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000152228 1240003153 /nfs/dbraw/zinc/00/31/53/1240003153.db2.gz BCDDZTBTILZRSA-FUHWJXTLSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CCC)CC3)CC2)CC1 ZINC001000334743 1240180699 /nfs/dbraw/zinc/18/06/99/1240180699.db2.gz LFUBLHFFUGDMTJ-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000654642 1240668368 /nfs/dbraw/zinc/66/83/68/1240668368.db2.gz GCBSEKHNVPAXTF-KRWDZBQOSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526189 1241250228 /nfs/dbraw/zinc/25/02/28/1241250228.db2.gz UFTMYCQKYAMSNL-OTWHNJEPSA-N 2 0 329.488 2.092 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764756 1242125480 /nfs/dbraw/zinc/12/54/80/1242125480.db2.gz FGIVAEZQTDYPNQ-GUDVDZBRSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062516 1242755806 /nfs/dbraw/zinc/75/58/06/1242755806.db2.gz VTFRIRAKHWMVFJ-GBESFXJTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050689207 1244133288 /nfs/dbraw/zinc/13/32/88/1244133288.db2.gz IPTSCZJKBSXJCJ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028328 1245710693 /nfs/dbraw/zinc/71/06/93/1245710693.db2.gz LDXQDKUXYBZGKW-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC001053054589 1245782951 /nfs/dbraw/zinc/78/29/51/1245782951.db2.gz OAZFIDKEDFIPAN-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)O2 ZINC001053701401 1246679621 /nfs/dbraw/zinc/67/96/21/1246679621.db2.gz USYUYMYWUMPVJN-ZWKOTPCHSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182328 1247633805 /nfs/dbraw/zinc/63/38/05/1247633805.db2.gz HRXQBIYPERMABK-FPOVZHCZSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3cnccc3OC)C2)C1 ZINC001072848779 1255430557 /nfs/dbraw/zinc/43/05/57/1255430557.db2.gz KEZUXJSUJBNRTA-UHFFFAOYSA-N 2 0 329.444 2.133 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099530016 1258193514 /nfs/dbraw/zinc/19/35/14/1258193514.db2.gz ZCTVICCXCXQYNY-OKYOBFRVSA-N 2 0 345.531 2.156 20 30 EEEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001099536239 1258194474 /nfs/dbraw/zinc/19/44/74/1258194474.db2.gz KHGZNZVPABBIQN-MUGJNUQGSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001099553710 1258202684 /nfs/dbraw/zinc/20/26/84/1258202684.db2.gz VSEIJVIYHUVJHD-MANSERQUSA-N 2 0 331.504 2.217 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001135299356 1278316994 /nfs/dbraw/zinc/31/69/94/1278316994.db2.gz WQOBTFLZDZQUOT-KGLIPLIRSA-N 2 0 348.516 2.334 20 30 EEEDRP C[NH+](C)CCCn1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cn1 ZINC001186848469 1279266336 /nfs/dbraw/zinc/26/63/36/1279266336.db2.gz RUUPWNYULZBHKT-UHFFFAOYSA-N 2 0 344.488 2.499 20 30 EEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353809 1281946478 /nfs/dbraw/zinc/94/64/78/1281946478.db2.gz ICZNVCJKWVPZCH-MAUKXSAKSA-N 2 0 325.472 2.308 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001196341415 1284008718 /nfs/dbraw/zinc/00/87/18/1284008718.db2.gz OMPCAZPRFSKNIO-DLBZAZTESA-N 2 0 330.476 2.335 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001071106846 1286785373 /nfs/dbraw/zinc/78/53/73/1286785373.db2.gz ZNMIPDOQNBKMMG-QRVBRYPASA-N 2 0 349.519 2.033 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CCCO1 ZINC001201849626 1289786740 /nfs/dbraw/zinc/78/67/40/1289786740.db2.gz XIXJBRVVYZVQCF-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001202316055 1289954498 /nfs/dbraw/zinc/95/44/98/1289954498.db2.gz LQCFQGACYGFICJ-UHFFFAOYSA-N 2 0 347.890 2.224 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001202316072 1289954967 /nfs/dbraw/zinc/95/49/67/1289954967.db2.gz MQIZQNFLPDPJHI-UHFFFAOYSA-N 2 0 347.890 2.224 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211293339 1295805269 /nfs/dbraw/zinc/80/52/69/1295805269.db2.gz ZKDCLUXGEVOLSJ-VQIMIIECSA-N 2 0 345.487 2.001 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801669 1297544685 /nfs/dbraw/zinc/54/46/85/1297544685.db2.gz RFDRVMSXEHVRAW-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099527163 1299189618 /nfs/dbraw/zinc/18/96/18/1299189618.db2.gz BXIFDXRIPKJFNS-OKYOBFRVSA-N 2 0 345.531 2.156 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495613 1303035289 /nfs/dbraw/zinc/03/52/89/1303035289.db2.gz KZBNVLUQRRBOJE-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001277458403 1303244895 /nfs/dbraw/zinc/24/48/95/1303244895.db2.gz XSLGNPUSZISLBU-APWZRJJASA-N 2 0 337.471 2.107 20 30 EEEDRP C=CCC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCCCC1 ZINC001115541988 1305307200 /nfs/dbraw/zinc/30/72/00/1305307200.db2.gz GLVFPDSYWFQKPR-UHFFFAOYSA-N 2 0 347.507 2.043 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559593 1305359711 /nfs/dbraw/zinc/35/97/11/1305359711.db2.gz CFEUGZHKECULFD-MRXNPFEDSA-N 2 0 325.472 2.098 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246375633 1310293011 /nfs/dbraw/zinc/29/30/11/1310293011.db2.gz IXKNALOCDKPWBM-IRXDYDNUSA-N 2 0 346.906 2.486 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866367 1320296454 /nfs/dbraw/zinc/29/64/54/1320296454.db2.gz BFAHPEKRAFRDGR-KBPBESRZSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001150022794 1316130261 /nfs/dbraw/zinc/13/02/61/1316130261.db2.gz PJRJIJCJRHYHJI-GOSISDBHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589810 1316309094 /nfs/dbraw/zinc/30/90/94/1316309094.db2.gz WUYZDIFEUGLJTJ-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252129928 1317559054 /nfs/dbraw/zinc/55/90/54/1317559054.db2.gz HEPFAITZRDUAMI-GOSISDBHSA-N 2 0 341.540 2.194 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252486089 1317614072 /nfs/dbraw/zinc/61/40/72/1317614072.db2.gz SOWMUSAACNHMPQ-IYWMVGAKSA-N 2 0 330.472 2.335 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1 ZINC001155900397 1317781071 /nfs/dbraw/zinc/78/10/71/1317781071.db2.gz QXJOJHLYKLBCLB-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001253240200 1317807317 /nfs/dbraw/zinc/80/73/17/1317807317.db2.gz GPBVZBQYRAZRIF-LJQANCHMSA-N 2 0 325.541 2.443 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001158568220 1319310175 /nfs/dbraw/zinc/31/01/75/1319310175.db2.gz NOGOOBXCKFMRRB-DYXWJJEUSA-N 2 0 339.483 2.418 20 30 EEEDRP C=CCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001158948962 1319523042 /nfs/dbraw/zinc/52/30/42/1319523042.db2.gz BJVKNMHXWXLYQP-GOSISDBHSA-N 2 0 348.491 2.179 20 30 EEEDRP N#CCc1ccc(OCc2ccc(N[C@H]([NH3+])CCC[NH3+])nc2)cc1 ZINC001159787654 1319990477 /nfs/dbraw/zinc/99/04/77/1319990477.db2.gz ASXVSTFTQVYAAR-KRWDZBQOSA-N 2 0 325.416 2.162 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001160274236 1320119406 /nfs/dbraw/zinc/11/94/06/1320119406.db2.gz RZPICDUGUQTRSG-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160958429 1320332672 /nfs/dbraw/zinc/33/26/72/1320332672.db2.gz WLOKZQFAWFOZOQ-ZNWBIBPKSA-N 2 0 327.472 2.259 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704686 1320594295 /nfs/dbraw/zinc/59/42/95/1320594295.db2.gz GBEXTMZBGVHYHP-MOPGFXCFSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)(COC)CC1 ZINC001162581497 1320903571 /nfs/dbraw/zinc/90/35/71/1320903571.db2.gz GUJWLODKIIVVEA-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)s1 ZINC001162617836 1320913377 /nfs/dbraw/zinc/91/33/77/1320913377.db2.gz VCTWYJAGBVEGOE-UHFFFAOYSA-N 2 0 339.424 2.177 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001162982802 1321004396 /nfs/dbraw/zinc/00/43/96/1321004396.db2.gz PMFBKUUHDREWME-UHFFFAOYSA-N 2 0 341.499 2.319 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccccc1C#N)CC(C)(C)C ZINC001166744194 1321779371 /nfs/dbraw/zinc/77/93/71/1321779371.db2.gz LPWWKRZGHFQPFT-UHFFFAOYSA-N 2 0 330.476 2.132 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001166897270 1321811831 /nfs/dbraw/zinc/81/18/31/1321811831.db2.gz RUMBXRONDSSXFI-UHFFFAOYSA-N 2 0 348.516 2.338 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001166971360 1321828033 /nfs/dbraw/zinc/82/80/33/1321828033.db2.gz LGKOXDUQWUOAAJ-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205432272 1323129412 /nfs/dbraw/zinc/12/94/12/1323129412.db2.gz HKTPIYVOMMCGBT-ZWKOTPCHSA-N 2 0 333.451 2.238 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205445478 1323137695 /nfs/dbraw/zinc/13/76/95/1323137695.db2.gz DMKWZXVPOVZDOT-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208462693 1324510267 /nfs/dbraw/zinc/51/02/67/1324510267.db2.gz FDKLLOIDFDMGFE-QGZVFWFLSA-N 2 0 330.476 2.455 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209642143 1324997540 /nfs/dbraw/zinc/99/75/40/1324997540.db2.gz MLUXNVBLWLWLHP-QAPCUYQASA-N 2 0 325.472 2.356 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210493469 1325308442 /nfs/dbraw/zinc/30/84/42/1325308442.db2.gz LOPNWTNIFBUYLA-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CSC1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[NH+](C)CC1 ZINC001325856164 1333976099 /nfs/dbraw/zinc/97/60/99/1333976099.db2.gz XWIYAASLSXEUJF-UHFFFAOYSA-N 2 0 346.500 2.304 20 30 EEEDRP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069577 1344463451 /nfs/dbraw/zinc/46/34/51/1344463451.db2.gz DIKULRBJHSWCBH-GJZGRUSLSA-N 2 0 346.862 2.472 20 30 EEEDRP C[N@H+](CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001100410917 1373038405 /nfs/dbraw/zinc/03/84/05/1373038405.db2.gz TXPYSQFYQXCCOK-UHFFFAOYSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001357572675 1373216707 /nfs/dbraw/zinc/21/67/07/1373216707.db2.gz JRXILPVHCPXHMV-MOPGFXCFSA-N 2 0 345.487 2.077 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001365815276 1373762920 /nfs/dbraw/zinc/76/29/20/1373762920.db2.gz WWISPVUHMIVRIM-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2ccccc2C#N)CCCC1 ZINC001391773159 1389587935 /nfs/dbraw/zinc/58/79/35/1389587935.db2.gz LMYWIENFHWMUCZ-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001753749327 1406772741 /nfs/dbraw/zinc/77/27/41/1406772741.db2.gz IAUAHMBCAFKDQB-RTBURBONSA-N 2 0 333.520 2.395 20 30 EEEDRP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001402396991 1397975693 /nfs/dbraw/zinc/97/56/93/1397975693.db2.gz QGOBCLQJEDQFJP-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402682803 1398150066 /nfs/dbraw/zinc/15/00/66/1398150066.db2.gz GFZFAVBUBXNIKC-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001422936104 1400292474 /nfs/dbraw/zinc/29/24/74/1400292474.db2.gz MULHAKYDUOYZGF-CVEARBPZSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001422999849 1400339365 /nfs/dbraw/zinc/33/93/65/1400339365.db2.gz XPHRLCQWARBJSO-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001423131313 1400441341 /nfs/dbraw/zinc/44/13/41/1400441341.db2.gz QZHWKWOUKNHFAY-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138425 1407148223 /nfs/dbraw/zinc/14/82/23/1407148223.db2.gz MODXYIJOVZCVHF-CVEARBPZSA-N 2 0 327.488 2.459 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001100681635 1410695561 /nfs/dbraw/zinc/69/55/61/1410695561.db2.gz OPRSCQCGSYKCPF-UHFFFAOYSA-N 2 0 349.906 2.398 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535005 759893046 /nfs/dbraw/zinc/89/30/46/759893046.db2.gz JBIBXRUOTVELAP-AVVWSFFYSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378806 759945204 /nfs/dbraw/zinc/94/52/04/759945204.db2.gz INXGZAXLFMDVKV-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980141774 773933945 /nfs/dbraw/zinc/93/39/45/773933945.db2.gz KLJXOKBIBSSIHZ-CGTJXYLNSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220496 774111999 /nfs/dbraw/zinc/11/19/99/774111999.db2.gz ZUMVMTWUPMDDBL-GVDBMIGSSA-N 2 0 340.471 2.001 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017219 776176896 /nfs/dbraw/zinc/17/68/96/776176896.db2.gz AOCKFJRFOUBMGK-MRXNPFEDSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018260 776190048 /nfs/dbraw/zinc/19/00/48/776190048.db2.gz PQVHGXPPHNSBLY-KRWDZBQOSA-N 2 0 339.443 2.428 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018576 776193384 /nfs/dbraw/zinc/19/33/84/776193384.db2.gz YNURXLLOUMIOBX-INIZCTEOSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849869 777994014 /nfs/dbraw/zinc/99/40/14/777994014.db2.gz KHFWCRIHOJPMEV-NMLBUPMWSA-N 2 0 345.531 2.463 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793703 781606803 /nfs/dbraw/zinc/60/68/03/781606803.db2.gz OGFJOKKTWHIBFG-NLWGTHIKSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001035051966 783657816 /nfs/dbraw/zinc/65/78/16/783657816.db2.gz VCKSPKIKNGSVRO-LSDHHAIUSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035200177 784040959 /nfs/dbraw/zinc/04/09/59/784040959.db2.gz ZOSSTURVIVHKGO-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135742989 784351412 /nfs/dbraw/zinc/35/14/12/784351412.db2.gz CDTGJMKSAJWROP-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824721 784533536 /nfs/dbraw/zinc/53/35/36/784533536.db2.gz WNNSZYLWROBBAD-IRXDYDNUSA-N 2 0 339.524 2.182 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938899 784830900 /nfs/dbraw/zinc/83/09/00/784830900.db2.gz QEFAUHLSNNBOIH-HOTGVXAUSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001035614529 784853951 /nfs/dbraw/zinc/85/39/51/784853951.db2.gz PPGRADUPKHNJDW-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C[C@@H](C)CC)C3)CC2)CC1 ZINC001035856361 785296736 /nfs/dbraw/zinc/29/67/36/785296736.db2.gz MICPGQLXFPREFR-SFHVURJKSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036210093 786000107 /nfs/dbraw/zinc/00/01/07/786000107.db2.gz NPIXBQFYSFMDJA-BBRMVZONSA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000996664872 787053630 /nfs/dbraw/zinc/05/36/30/787053630.db2.gz KBHWZGLYMLGPFX-UHFFFAOYSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714691 805895296 /nfs/dbraw/zinc/89/52/96/805895296.db2.gz SPTUHGGUELUJKH-OWSLCNJRSA-N 2 0 337.508 2.031 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386023 789877696 /nfs/dbraw/zinc/87/76/96/789877696.db2.gz GZZDOGIKUFPWOL-MJGOQNOKSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001146341452 791214282 /nfs/dbraw/zinc/21/42/82/791214282.db2.gz YMPPTTQBMPBGNZ-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cnc4c3CCCC4)CCC[C@@H]12 ZINC000991879990 791228119 /nfs/dbraw/zinc/22/81/19/791228119.db2.gz BEYHRFFCQOPZFF-MJGOQNOKSA-N 2 0 328.460 2.061 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397612 791234913 /nfs/dbraw/zinc/23/49/13/791234913.db2.gz GADNGZXSDDMGMQ-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593035 791362043 /nfs/dbraw/zinc/36/20/43/791362043.db2.gz MRXXUSFAXAUDNT-CHWSQXEVSA-N 2 0 334.302 2.108 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001147823367 791981591 /nfs/dbraw/zinc/98/15/91/791981591.db2.gz DQXQLNDFVYWUFJ-WBVHZDCISA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998118923 791998338 /nfs/dbraw/zinc/99/83/38/791998338.db2.gz YIAIPPQSJBQNCU-JKSUJKDBSA-N 2 0 328.460 2.166 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992143794 792904915 /nfs/dbraw/zinc/90/49/15/792904915.db2.gz CYXFAAPPMLHXFF-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925250 792998530 /nfs/dbraw/zinc/99/85/30/792998530.db2.gz QDICVXVKLUEYAF-GBESFXJTSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013524 793505968 /nfs/dbraw/zinc/50/59/68/793505968.db2.gz URYKDDSUWDQUJP-MNEFBYGVSA-N 2 0 337.483 2.165 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071251 793534205 /nfs/dbraw/zinc/53/42/05/793534205.db2.gz NCPYYZNJYKKGJT-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311772 793628984 /nfs/dbraw/zinc/62/89/84/793628984.db2.gz BRGNOUGMRVGKRY-QUCCMNQESA-N 2 0 325.456 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCCC)CC3)CC1 ZINC000992506530 794445888 /nfs/dbraw/zinc/44/58/88/794445888.db2.gz JOMNAARVUNIFMQ-AZUAARDMSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCCC)CC3)CC1 ZINC000992506548 794446088 /nfs/dbraw/zinc/44/60/88/794446088.db2.gz JOMNAARVUNIFMQ-QUCCMNQESA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C/C=C/Cl)CC3)CC1 ZINC000992510255 794455175 /nfs/dbraw/zinc/45/51/75/794455175.db2.gz PFIWIZYAONJPNG-QDVNXWFFSA-N 2 0 349.906 2.197 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056910 794564777 /nfs/dbraw/zinc/56/47/77/794564777.db2.gz VEXSVYWNTTYEIW-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736322 794691926 /nfs/dbraw/zinc/69/19/26/794691926.db2.gz YHTGRCBHBBKLOJ-LSDHHAIUSA-N 2 0 325.884 2.146 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)CC1 ZINC001110146893 795374945 /nfs/dbraw/zinc/37/49/45/795374945.db2.gz ADKRNQOGSVNAMC-AABGKKOBSA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108006824 795484641 /nfs/dbraw/zinc/48/46/41/795484641.db2.gz DROLMNMANGLNON-PKOBYXMFSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040787121 796287116 /nfs/dbraw/zinc/28/71/16/796287116.db2.gz LRPRQOKRVOSNND-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCC)C2)CC1 ZINC001036901965 796438785 /nfs/dbraw/zinc/43/87/85/796438785.db2.gz BLXLKPHQYMFQGW-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265112 796481465 /nfs/dbraw/zinc/48/14/65/796481465.db2.gz BIEJLRSDFIUFOT-RRFJBIMHSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081134246 796662867 /nfs/dbraw/zinc/66/28/67/796662867.db2.gz QTFLXMDXAQDEDL-OTWHNJEPSA-N 2 0 327.472 2.241 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819771 797025433 /nfs/dbraw/zinc/02/54/33/797025433.db2.gz RKKILXZFMQMHAN-IRXDYDNUSA-N 2 0 349.906 2.101 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H]1C ZINC000994141824 797357136 /nfs/dbraw/zinc/35/71/36/797357136.db2.gz ADWHJGYFSJOBDY-LPHOPBHVSA-N 2 0 336.439 2.478 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001942026 797388475 /nfs/dbraw/zinc/38/84/75/797388475.db2.gz AOHZKHPWBVJPHP-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108040921 797475799 /nfs/dbraw/zinc/47/57/99/797475799.db2.gz WQZAPVLUZNYBGS-LJQANCHMSA-N 2 0 342.443 2.040 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001175056347 797964813 /nfs/dbraw/zinc/96/48/13/797964813.db2.gz MILFPGDJDPTUOR-OAHLLOKOSA-N 2 0 348.466 2.414 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176111025 798353566 /nfs/dbraw/zinc/35/35/66/798353566.db2.gz DVYZQSUFFMRNJK-PXNSSMCTSA-N 2 0 329.488 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001031435636 798404303 /nfs/dbraw/zinc/40/43/03/798404303.db2.gz BSWMUZLIIJOSPN-UHFFFAOYSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176844596 798617601 /nfs/dbraw/zinc/61/76/01/798617601.db2.gz LSEDYJARVCTVHM-QZTJIDSGSA-N 2 0 327.472 2.007 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085152889 798728222 /nfs/dbraw/zinc/72/82/22/798728222.db2.gz VCEFEIFLEHLISS-ZACQAIPSSA-N 2 0 346.500 2.231 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177462835 798949093 /nfs/dbraw/zinc/94/90/93/798949093.db2.gz AOVHWSVFTUQSSD-UHFFFAOYSA-N 2 0 331.504 2.104 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179461406 799935301 /nfs/dbraw/zinc/93/53/01/799935301.db2.gz KFLWXLNIVQNPDU-UHFFFAOYSA-N 2 0 329.488 2.256 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCF)[C@@H]2C)CC1 ZINC001180204616 800309199 /nfs/dbraw/zinc/30/91/99/800309199.db2.gz VVYLOPDRJCNXQX-WMZOPIPTSA-N 2 0 337.483 2.050 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001180221899 800315270 /nfs/dbraw/zinc/31/52/70/800315270.db2.gz GDTGYBCPXIHXPD-KSSFIOAISA-N 2 0 346.450 2.117 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001181992973 800987028 /nfs/dbraw/zinc/98/70/28/800987028.db2.gz UOFSUBSBINCDCI-FOIQADDNSA-N 2 0 338.455 2.354 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717767 801116207 /nfs/dbraw/zinc/11/62/07/801116207.db2.gz WPBYVCGQENRUIZ-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081201 801501115 /nfs/dbraw/zinc/50/11/15/801501115.db2.gz FZXPOPKJQAUTND-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001183184682 801502910 /nfs/dbraw/zinc/50/29/10/801502910.db2.gz MHWJRXYBPKKHTK-DNVCBOLYSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001183432393 801603367 /nfs/dbraw/zinc/60/33/67/801603367.db2.gz DKJGQQKEAJNGIP-UYAOXDASSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892534 802232295 /nfs/dbraw/zinc/23/22/95/802232295.db2.gz QHRVJGBUOJARSC-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001185072972 802336691 /nfs/dbraw/zinc/33/66/91/802336691.db2.gz LRLBTYHPFCENEI-QFBILLFUSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001185072971 802336823 /nfs/dbraw/zinc/33/68/23/802336823.db2.gz LRLBTYHPFCENEI-LPHOPBHVSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086242229 802579793 /nfs/dbraw/zinc/57/97/93/802579793.db2.gz GFJBJKWIQOYEQM-FZNQNYSPSA-N 2 0 327.900 2.344 20 30 EEEDRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001128551893 802959963 /nfs/dbraw/zinc/95/99/63/802959963.db2.gz HPWXTFPHOUTTRV-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)CC[C@@H]2C1 ZINC000946740035 802967963 /nfs/dbraw/zinc/96/79/63/802967963.db2.gz MTLPJALBTCKVKE-FGTMMUONSA-N 2 0 342.487 2.110 20 30 EEEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001169127335 803623320 /nfs/dbraw/zinc/62/33/20/803623320.db2.gz MBHSTTLZQVHTET-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797656 804052381 /nfs/dbraw/zinc/05/23/81/804052381.db2.gz IDSJYULDCJAGAG-APWZRJJASA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](C)CC(C)C)CC2)CC1 ZINC001113677683 809518247 /nfs/dbraw/zinc/51/82/47/809518247.db2.gz IOIXGOUBANZABX-SFHVURJKSA-N 2 0 333.520 2.158 20 30 EEEDRP CCCCCCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231824 811330854 /nfs/dbraw/zinc/33/08/54/811330854.db2.gz HOFZVYFWNFKDLH-UHFFFAOYSA-N 2 0 327.513 2.021 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001130423793 811618356 /nfs/dbraw/zinc/61/83/56/811618356.db2.gz WMBPSVPGARPNMB-NVXWUHKLSA-N 2 0 347.507 2.122 20 30 EEEDRP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001131666840 813095687 /nfs/dbraw/zinc/09/56/87/813095687.db2.gz SZCXUEUTILUCFP-HKUYNNGSSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001441015626 1094294151 /nfs/dbraw/zinc/29/41/51/1094294151.db2.gz APTKAUQPPPQXAA-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001446944652 1101635430 /nfs/dbraw/zinc/63/54/30/1101635430.db2.gz UCZYAHIKHDRRCM-CABCVRRESA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480790900 1107122585 /nfs/dbraw/zinc/12/25/85/1107122585.db2.gz SRJOJXLIMWGGCN-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000438846237 242054067 /nfs/dbraw/zinc/05/40/67/242054067.db2.gz ADOXPSCRZNGIAA-GOSISDBHSA-N 2 0 336.524 2.447 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCCCCC2)cc1OC ZINC000104155553 533550932 /nfs/dbraw/zinc/55/09/32/533550932.db2.gz PGUQJDPLPXIINR-UHFFFAOYSA-N 2 0 348.491 2.374 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccccc1C#N ZINC000170908147 266147956 /nfs/dbraw/zinc/14/79/56/266147956.db2.gz DYFXMNGKIZNOLT-KRWDZBQOSA-N 2 0 345.516 2.180 20 30 EEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000515235049 266904852 /nfs/dbraw/zinc/90/48/52/266904852.db2.gz XIXGSUCLIBBOFB-GOSISDBHSA-N 2 0 331.460 2.008 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579089417 468307718 /nfs/dbraw/zinc/30/77/18/468307718.db2.gz UPYRSIWVSVNOJI-UHFFFAOYSA-N 2 0 328.460 2.494 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000154047511 462724121 /nfs/dbraw/zinc/72/41/21/462724121.db2.gz LKOMRQQYFLDVOS-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000075583777 462735530 /nfs/dbraw/zinc/73/55/30/462735530.db2.gz RMRVQNCLNDQHDL-OAHLLOKOSA-N 2 0 348.491 2.230 20 30 EEEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564051 462919214 /nfs/dbraw/zinc/91/92/14/462919214.db2.gz DVGZGIZKLRCVCH-KRWDZBQOSA-N 2 0 334.508 2.335 20 30 EEEDRP C#CCOc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000136233819 463230266 /nfs/dbraw/zinc/23/02/66/463230266.db2.gz DQOBJFCSAVNJKV-UHFFFAOYSA-N 2 0 339.439 2.324 20 30 EEEDRP C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000579582273 468378522 /nfs/dbraw/zinc/37/85/22/468378522.db2.gz SYNNVEQUFPDDBA-AEFFLSMTSA-N 2 0 331.460 2.010 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000264079269 464281470 /nfs/dbraw/zinc/28/14/70/464281470.db2.gz ICUZPZJDXXEOSX-SJORKVTESA-N 2 0 347.507 2.195 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264130722 464286472 /nfs/dbraw/zinc/28/64/72/464286472.db2.gz XZETZDQTRQEMKE-GOSISDBHSA-N 2 0 345.535 2.287 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182721601 464717182 /nfs/dbraw/zinc/71/71/82/464717182.db2.gz LQUOEZVJHRJYGJ-FUHWJXTLSA-N 2 0 334.508 2.153 20 30 EEEDRP C=CCNC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267342539 464927888 /nfs/dbraw/zinc/92/78/88/464927888.db2.gz PZAQWFJHFUKONT-UHFFFAOYSA-N 2 0 330.476 2.148 20 30 EEEDRP CC(C)([NH3+])CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919585 468434499 /nfs/dbraw/zinc/43/44/99/468434499.db2.gz ZEGYBXKOQROMJX-UHFFFAOYSA-N 2 0 328.460 2.156 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417061809 466768595 /nfs/dbraw/zinc/76/85/95/466768595.db2.gz LNMBQLIUUBTAQM-MJGOQNOKSA-N 2 0 334.508 2.080 20 30 EEEDRP C=CCOc1cccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989197 467462177 /nfs/dbraw/zinc/46/21/77/467462177.db2.gz QGGPFWPGIZEMSQ-INIZCTEOSA-N 2 0 343.393 2.177 20 30 EEEDRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC(C)(C)[NH2+]1 ZINC000582316671 468523353 /nfs/dbraw/zinc/52/33/53/468523353.db2.gz WGPGRBDQECVUHN-QGZVFWFLSA-N 2 0 345.487 2.391 20 30 EEEDRP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1)C1CC1 ZINC000569852204 468553336 /nfs/dbraw/zinc/55/33/36/468553336.db2.gz MNSSEIUMUIEEFM-IBGZPJMESA-N 2 0 328.460 2.245 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571342253 468774706 /nfs/dbraw/zinc/77/47/06/468774706.db2.gz YQKFGFXQHFCFQB-SFHVURJKSA-N 2 0 327.472 2.275 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000571875008 468852317 /nfs/dbraw/zinc/85/23/17/468852317.db2.gz HIWKFMYBHMXCEX-KFKAGJAMSA-N 2 0 330.472 2.227 20 30 EEEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611301976 469224118 /nfs/dbraw/zinc/22/41/18/469224118.db2.gz OLLDFXKFCBVXDX-UHFFFAOYSA-N 2 0 334.508 2.337 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000563570587 469241505 /nfs/dbraw/zinc/24/15/05/469241505.db2.gz NIMGXHIOZRGVJR-RBUKOAKNSA-N 2 0 342.487 2.082 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000614403311 469931958 /nfs/dbraw/zinc/93/19/58/469931958.db2.gz QZSWNLFAYCWYIS-XLIONFOSSA-N 2 0 326.488 2.325 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638100927 470965316 /nfs/dbraw/zinc/96/53/16/470965316.db2.gz OBTICAVBZFMXQM-HNNXBMFYSA-N 2 0 341.377 2.472 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000106339378 526591383 /nfs/dbraw/zinc/59/13/83/526591383.db2.gz HNWLEORJQIZSPU-QGZVFWFLSA-N 2 0 336.524 2.447 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000104180773 528660151 /nfs/dbraw/zinc/66/01/51/528660151.db2.gz VTNQUGMZCBLJLT-OAHLLOKOSA-N 2 0 338.521 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CC2)CC1 ZINC000969156124 674643759 /nfs/dbraw/zinc/64/37/59/674643759.db2.gz KJWWLFOODXIVEO-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179506 675917847 /nfs/dbraw/zinc/91/78/47/675917847.db2.gz BELFORNFNPZGNR-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000949398664 676210621 /nfs/dbraw/zinc/21/06/21/676210621.db2.gz OOQADUFXYOOYMA-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636397 676291360 /nfs/dbraw/zinc/29/13/60/676291360.db2.gz QFAVFGYTSIGQMN-VQIMIIECSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001021705412 676365910 /nfs/dbraw/zinc/36/59/10/676365910.db2.gz ZYQVKDFURZPXDC-UYAOXDASSA-N 2 0 348.450 2.432 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022068976 676633321 /nfs/dbraw/zinc/63/33/21/676633321.db2.gz FGONMBREJIEFSE-JKIFEVAISA-N 2 0 346.500 2.229 20 30 EEEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024547061 680077042 /nfs/dbraw/zinc/07/70/42/680077042.db2.gz IHLOIVCQEQQELH-MRXNPFEDSA-N 2 0 325.416 2.038 20 30 EEEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCCC2(C1)CCCCCC2 ZINC000261779142 681187705 /nfs/dbraw/zinc/18/77/05/681187705.db2.gz PAFVKVASJRRYGR-GOSISDBHSA-N 2 0 349.567 2.244 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001025629248 683160394 /nfs/dbraw/zinc/16/03/94/683160394.db2.gz DWCIDAZACWXREY-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001026341360 684343950 /nfs/dbraw/zinc/34/39/50/684343950.db2.gz ZSJUURIKIGANST-BHYGNILZSA-N 2 0 331.460 2.358 20 30 EEEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262274537 685025968 /nfs/dbraw/zinc/02/59/68/685025968.db2.gz UKVLYRYGVFZGFG-IPMKNSEASA-N 2 0 349.567 2.148 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](CC(C)C)CC1 ZINC000262474354 686266207 /nfs/dbraw/zinc/26/62/07/686266207.db2.gz ZMHNAYDTUKUVJK-BBWFWOEESA-N 2 0 336.524 2.085 20 30 EEEDRP CC[N@H+](CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000303970801 686961064 /nfs/dbraw/zinc/96/10/64/686961064.db2.gz CXWOMHVGRJFUSV-UHFFFAOYSA-N 2 0 349.910 2.261 20 30 EEEDRP CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000985494834 687044298 /nfs/dbraw/zinc/04/42/98/687044298.db2.gz HQYBFBGKUNWQJN-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)[C@@H]2C)CC1 ZINC000987566936 689842791 /nfs/dbraw/zinc/84/27/91/689842791.db2.gz CPOKVSAZSOKTCI-MAUKXSAKSA-N 2 0 345.512 2.172 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387896 694363621 /nfs/dbraw/zinc/36/36/21/694363621.db2.gz GGAONEQDLCKVFI-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCC3CCC3)CC2)CC1 ZINC000989734938 692230888 /nfs/dbraw/zinc/23/08/88/692230888.db2.gz LDKNJZOTHUGYCJ-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947909232 1192501003 /nfs/dbraw/zinc/50/10/03/1192501003.db2.gz YGSUHHNTHCEBGA-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880100 1192633325 /nfs/dbraw/zinc/63/33/25/1192633325.db2.gz HXUWSYJICGMCOZ-RDGPPVDQSA-N 2 0 331.504 2.073 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482342475 1185450976 /nfs/dbraw/zinc/45/09/76/1185450976.db2.gz BWEHWTNZFJTXGF-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001105442273 1187163681 /nfs/dbraw/zinc/16/36/81/1187163681.db2.gz CTZCVNBEOKVNLC-PUZFROQSSA-N 2 0 329.488 2.320 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088620603 1187961015 /nfs/dbraw/zinc/96/10/15/1187961015.db2.gz SMZLPDPKOSBDDC-NEWSRXKRSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105561709 1188178094 /nfs/dbraw/zinc/17/80/94/1188178094.db2.gz PRIYBRVJMUAHOP-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105578711 1188194161 /nfs/dbraw/zinc/19/41/61/1188194161.db2.gz FGQMSRWDFRUJBG-SFHVURJKSA-N 2 0 333.520 2.491 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]1C ZINC001486092871 1193679205 /nfs/dbraw/zinc/67/92/05/1193679205.db2.gz RVNVKWAVMYMZCD-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273101236 1194385234 /nfs/dbraw/zinc/38/52/34/1194385234.db2.gz QHRZDHWSHQTKSX-IBGZPJMESA-N 2 0 332.492 2.089 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034005373 1195648608 /nfs/dbraw/zinc/64/86/08/1195648608.db2.gz WEGSKHFCXMFDLY-GOSISDBHSA-N 2 0 339.443 2.380 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138109 1195810278 /nfs/dbraw/zinc/81/02/78/1195810278.db2.gz NSXFTRPLUXOMAT-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001034538881 1196362565 /nfs/dbraw/zinc/36/25/65/1196362565.db2.gz UHGZQZDDGWUWLG-OOYWPUHTSA-N 2 0 337.895 2.055 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001034971891 1196928846 /nfs/dbraw/zinc/92/88/46/1196928846.db2.gz YJGOMUWVSJFTIY-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001034964821 1196945845 /nfs/dbraw/zinc/94/58/45/1196945845.db2.gz ZHQJOUOVHJRCMY-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000871911290 1197968368 /nfs/dbraw/zinc/96/83/68/1197968368.db2.gz GTALHDQCHDOVNV-GOSISDBHSA-N 2 0 328.460 2.185 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001132736898 1199964309 /nfs/dbraw/zinc/96/43/09/1199964309.db2.gz FNAZWALWWJRPOU-KRWDZBQOSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132824895 1200074015 /nfs/dbraw/zinc/07/40/15/1200074015.db2.gz WRMPKCUTTKPLBI-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064698 1200387139 /nfs/dbraw/zinc/38/71/39/1200387139.db2.gz OZDOXZMFJUMDHL-NVXWUHKLSA-N 2 0 331.460 2.052 20 30 EEEDRP CC[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000128822998 1201644933 /nfs/dbraw/zinc/64/49/33/1201644933.db2.gz LRZCWHMXCOZETA-OAHLLOKOSA-N 2 0 333.505 2.172 20 30 EEEDRP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001274964694 1205219176 /nfs/dbraw/zinc/21/91/76/1205219176.db2.gz VENHCNDXIFRPJX-ROUUACIJSA-N 2 0 331.504 2.408 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncc[nH]2)CC3)cc1C#N ZINC001275847298 1205564489 /nfs/dbraw/zinc/56/44/89/1205564489.db2.gz QHSVTRRLTZZPAF-UHFFFAOYSA-N 2 0 338.459 2.108 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948986123 1209490340 /nfs/dbraw/zinc/49/03/40/1209490340.db2.gz IOSQJUHCNSHNEQ-PKOBYXMFSA-N 2 0 327.472 2.230 20 30 EEEDRP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000949386235 1209660957 /nfs/dbraw/zinc/66/09/57/1209660957.db2.gz YYYGXFHBTZXBIH-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)o1 ZINC000303895127 1213922776 /nfs/dbraw/zinc/92/27/76/1213922776.db2.gz SZFXDRWVUHVBKO-HNNXBMFYSA-N 2 0 327.432 2.230 20 30 EEEDRP C[NH+]1CCC(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000303904438 1213924046 /nfs/dbraw/zinc/92/40/46/1213924046.db2.gz YTVHPXLVNAXBSI-UHFFFAOYSA-N 2 0 332.448 2.306 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001037125859 1213982574 /nfs/dbraw/zinc/98/25/74/1213982574.db2.gz OSPIGOFXARCORW-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957636102 1215281416 /nfs/dbraw/zinc/28/14/16/1215281416.db2.gz YFQXOZUSROSRAI-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC000957776720 1215421812 /nfs/dbraw/zinc/42/18/12/1215421812.db2.gz QGUSFQZJSRNQBL-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304754749 1216102083 /nfs/dbraw/zinc/10/20/83/1216102083.db2.gz MDBVQMXMKDBDJP-INIZCTEOSA-N 2 0 330.476 2.367 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000960292176 1216476479 /nfs/dbraw/zinc/47/64/79/1216476479.db2.gz UEYNFUGWEDFBFW-VAMGGRTRSA-N 2 0 339.483 2.419 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961338724 1217148943 /nfs/dbraw/zinc/14/89/43/1217148943.db2.gz GXLVZJVYKCMXST-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961438437 1217189881 /nfs/dbraw/zinc/18/98/81/1217189881.db2.gz DFWBTZILABMIKR-LJQANCHMSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963356211 1217550812 /nfs/dbraw/zinc/55/08/12/1217550812.db2.gz CDDVEHMHRSCMRL-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963420660 1217616780 /nfs/dbraw/zinc/61/67/80/1217616780.db2.gz LGFCEHHPWALZQR-FAFZWHIHSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000964152564 1218247001 /nfs/dbraw/zinc/24/70/01/1218247001.db2.gz JGBRCJFLLAEKEH-UHFFFAOYSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CC(=C)Cl)C3)CC1 ZINC000965933193 1219372905 /nfs/dbraw/zinc/37/29/05/1219372905.db2.gz RXHORUYUHRXJRW-UHFFFAOYSA-N 2 0 349.906 2.101 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC ZINC001037930877 1220429329 /nfs/dbraw/zinc/42/93/29/1220429329.db2.gz ZUUBHCRWFBYBBM-QUCCMNQESA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327840 1221212110 /nfs/dbraw/zinc/21/21/10/1221212110.db2.gz TUNCRHOKCMDHTB-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001016749150 1226837841 /nfs/dbraw/zinc/83/78/41/1226837841.db2.gz NNKBWVMPGKXSKA-LJQANCHMSA-N 2 0 339.483 2.008 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054664617 1248828409 /nfs/dbraw/zinc/82/84/09/1248828409.db2.gz YSMVXKBCTUNYAN-UKRRQHHQSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183358 1230411266 /nfs/dbraw/zinc/41/12/66/1230411266.db2.gz ZWARRJAUWQJTDM-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCCC)C3)CC1 ZINC001040542051 1231283273 /nfs/dbraw/zinc/28/32/73/1231283273.db2.gz FLDOXDXHESQJDW-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882218 1231395036 /nfs/dbraw/zinc/39/50/36/1231395036.db2.gz AWSJADISDZFFDR-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041396353 1231530672 /nfs/dbraw/zinc/53/06/72/1231530672.db2.gz SCARHDZLMUAAQT-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778999 1231690616 /nfs/dbraw/zinc/69/06/16/1231690616.db2.gz JRPIARZTNIQNQS-SFTDATJTSA-N 2 0 339.483 2.021 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845860 1231728627 /nfs/dbraw/zinc/72/86/27/1231728627.db2.gz PVIPZFDHGCUJEL-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C/C=C\Cl)CC2)CC1 ZINC001045647002 1233880038 /nfs/dbraw/zinc/88/00/38/1233880038.db2.gz OIGPMAMYKNKCKK-WTKPLQERSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986676 1234282684 /nfs/dbraw/zinc/28/26/84/1234282684.db2.gz XZKQNZOSVNWMRT-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046925941 1235314374 /nfs/dbraw/zinc/31/43/74/1235314374.db2.gz PPPZLDWGJDDYRW-LSDHHAIUSA-N 2 0 329.435 2.120 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCF)CC2)C1 ZINC001047245093 1235737462 /nfs/dbraw/zinc/73/74/62/1235737462.db2.gz WSPOAYVYAPBSLH-MOPGFXCFSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525562 1237862717 /nfs/dbraw/zinc/86/27/17/1237862717.db2.gz XWFFQNXOIVJVIM-LTFPLMDUSA-N 2 0 343.515 2.243 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860133 1239059588 /nfs/dbraw/zinc/05/95/88/1239059588.db2.gz IGHLXTIDXNLUBQ-YESZJQIVSA-N 2 0 339.911 2.107 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048871085 1239100093 /nfs/dbraw/zinc/10/00/93/1239100093.db2.gz HLQPVGXCWJTYMK-OWCLPIDISA-N 2 0 325.884 2.004 20 30 EEEDRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001000080992 1239911312 /nfs/dbraw/zinc/91/13/12/1239911312.db2.gz JKRIMPRINZKZKY-OAHLLOKOSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185254 1240039832 /nfs/dbraw/zinc/03/98/32/1240039832.db2.gz NSYCBHFNIDOAMO-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186728 1240041642 /nfs/dbraw/zinc/04/16/42/1240041642.db2.gz VWNDIWFVZAXECS-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000777805 1240921562 /nfs/dbraw/zinc/92/15/62/1240921562.db2.gz QJVIHEGYDBFRKC-IBGZPJMESA-N 2 0 329.488 2.165 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049523783 1241241351 /nfs/dbraw/zinc/24/13/51/1241241351.db2.gz HDZOZXDFRPPVRW-GBESFXJTSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001001075433 1241589139 /nfs/dbraw/zinc/58/91/39/1241589139.db2.gz ILFZBXDBLWEBOC-LJQANCHMSA-N 2 0 329.488 2.165 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899268 1242762591 /nfs/dbraw/zinc/76/25/91/1242762591.db2.gz PDSISCOGJSEIRQ-GOSISDBHSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050542256 1243813814 /nfs/dbraw/zinc/81/38/14/1243813814.db2.gz BGJDAIHOIVMIKX-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001050766745 1244322997 /nfs/dbraw/zinc/32/29/97/1244322997.db2.gz VUNBLIJCEAOQQF-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001052937642 1245515416 /nfs/dbraw/zinc/51/54/16/1245515416.db2.gz MQWPOIOLYNCUFP-HXUWFJFHSA-N 2 0 339.483 2.105 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396844 1245761786 /nfs/dbraw/zinc/76/17/86/1245761786.db2.gz NQQXKZMNHISTAK-GGPKGHCWSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCCC=C)C[C@@]3(C)C2)CC1 ZINC001101474055 1245879270 /nfs/dbraw/zinc/87/92/70/1245879270.db2.gz FJAMCLAGNTWXAD-CTNGQTDRSA-N 2 0 343.515 2.078 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095195 1245891543 /nfs/dbraw/zinc/89/15/43/1245891543.db2.gz IHDCOURIWPIHRN-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099583554 1258226790 /nfs/dbraw/zinc/22/67/90/1258226790.db2.gz UYKVRDFDONKGEQ-QGZVFWFLSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001101025037 1259577273 /nfs/dbraw/zinc/57/72/73/1259577273.db2.gz SKGVRTVZPMXUNU-MUYFXNHWSA-N 2 0 331.504 2.171 20 30 EEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958561 1278092712 /nfs/dbraw/zinc/09/27/12/1278092712.db2.gz BRYDLOSYXJQESU-LSDHHAIUSA-N 2 0 327.432 2.330 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185516856 1278683924 /nfs/dbraw/zinc/68/39/24/1278683924.db2.gz NXNCWHBIMLOPPZ-HOTGVXAUSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400622 1282484816 /nfs/dbraw/zinc/48/48/16/1282484816.db2.gz ZQOYLFTYQBYZNQ-QUCCMNQESA-N 2 0 327.472 2.019 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001193571531 1282568940 /nfs/dbraw/zinc/56/89/40/1282568940.db2.gz SXNMSEYVHKXOTM-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@@H](C)CCC=C)CC2)CC1 ZINC001203870104 1284466869 /nfs/dbraw/zinc/46/68/69/1284466869.db2.gz XJZKNAACXJHKTA-KRWDZBQOSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766638 1285350740 /nfs/dbraw/zinc/35/07/40/1285350740.db2.gz FHCMPZRAFPSHRO-HKUYNNGSSA-N 2 0 345.487 2.052 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1OC ZINC001198876345 1285407375 /nfs/dbraw/zinc/40/73/75/1285407375.db2.gz RNDJWZCZIHZVMC-QGZVFWFLSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198985543 1285473719 /nfs/dbraw/zinc/47/37/19/1285473719.db2.gz ZPZYPWAURCQHHP-FUHWJXTLSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCSc1ncccc1C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001199745465 1285803768 /nfs/dbraw/zinc/80/37/68/1285803768.db2.gz AFJFEHMGHMMDHL-UHFFFAOYSA-N 2 0 335.477 2.037 20 30 EEEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001216464249 1297180485 /nfs/dbraw/zinc/18/04/85/1297180485.db2.gz NRXQSMSYIHWRQX-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558385 1289665588 /nfs/dbraw/zinc/66/55/88/1289665588.db2.gz OCGRUDQEADQUTN-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCCO1 ZINC001201849642 1289786773 /nfs/dbraw/zinc/78/67/73/1289786773.db2.gz XPAGRZQVAPTTAG-RTBURBONSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126767 1295694652 /nfs/dbraw/zinc/69/46/52/1295694652.db2.gz VKKVKZKDKWBIPR-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)CC1 ZINC001211233430 1295772909 /nfs/dbraw/zinc/77/29/09/1295772909.db2.gz FEQGZALNHGOBCG-GOSISDBHSA-N 2 0 337.483 2.052 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213592984 1296102698 /nfs/dbraw/zinc/10/26/98/1296102698.db2.gz IOMBLBMILRAIIC-KURKYZTESA-N 2 0 339.524 2.134 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000402260588 1296931465 /nfs/dbraw/zinc/93/14/65/1296931465.db2.gz QFPNWRSCOIVMIF-IBGZPJMESA-N 2 0 339.439 2.149 20 30 EEEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218998188 1297900388 /nfs/dbraw/zinc/90/03/88/1297900388.db2.gz ZOXLXOHCLFXYNH-HKUYNNGSSA-N 2 0 334.423 2.144 20 30 EEEDRP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001219309362 1297979773 /nfs/dbraw/zinc/97/97/73/1297979773.db2.gz YNJNLZXWEMERQT-VQIMIIECSA-N 2 0 341.531 2.053 20 30 EEEDRP N#CC1(NC(=O)CC2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643637 1298486359 /nfs/dbraw/zinc/48/63/59/1298486359.db2.gz NABPMODIOOLFOM-UHFFFAOYSA-N 2 0 340.471 2.051 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220868914 1298566414 /nfs/dbraw/zinc/56/64/14/1298566414.db2.gz ZHFOXMNPLJNBCQ-XOUIXPDISA-N 2 0 331.504 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC/C=C/CC)C[C@H]32)CC1 ZINC001222043888 1299300375 /nfs/dbraw/zinc/30/03/75/1299300375.db2.gz HAKVDSRWXWVPLP-BGEOSOQGSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936759 1299926158 /nfs/dbraw/zinc/92/61/58/1299926158.db2.gz OSTQZMJGYXDJDX-QRVBRYPASA-N 2 0 342.487 2.416 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001102088040 1300275637 /nfs/dbraw/zinc/27/56/37/1300275637.db2.gz ITMNZXTUKCNNBX-ATZDWAIDSA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374576 1302858015 /nfs/dbraw/zinc/85/80/15/1302858015.db2.gz JDKMBTQXIFQTAV-UKRRQHHQSA-N 2 0 327.900 2.155 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397074 1302905631 /nfs/dbraw/zinc/90/56/31/1302905631.db2.gz YENZCXKVZIISFU-SJLPKXTDSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229999517 1303011647 /nfs/dbraw/zinc/01/16/47/1303011647.db2.gz KWVXXEQQYOOMSE-FQEVSTJZSA-N 2 0 327.472 2.067 20 30 EEEDRP C=CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1cccnc1 ZINC001230923750 1303548896 /nfs/dbraw/zinc/54/88/96/1303548896.db2.gz KFFRCVWGYVMZRP-HDICACEKSA-N 2 0 344.503 2.449 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccnc1 ZINC001230923755 1303549650 /nfs/dbraw/zinc/54/96/50/1303549650.db2.gz KFFRCVWGYVMZRP-ROUUACIJSA-N 2 0 344.503 2.449 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120430921 1309532463 /nfs/dbraw/zinc/53/24/63/1309532463.db2.gz OJGPFMIGXUWYHC-QZTJIDSGSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855422 1316068571 /nfs/dbraw/zinc/06/85/71/1316068571.db2.gz YTZRJSGDYRTFFW-AEFFLSMTSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206642058 1316599493 /nfs/dbraw/zinc/59/94/93/1316599493.db2.gz PYURWIHPTPRKOA-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC001153314909 1316809983 /nfs/dbraw/zinc/80/99/83/1316809983.db2.gz SCKRSMOOHBHPLL-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001155289369 1317539576 /nfs/dbraw/zinc/53/95/76/1317539576.db2.gz OWGJWVFTPLBCGO-QAPCUYQASA-N 2 0 330.476 2.225 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001158381113 1319213466 /nfs/dbraw/zinc/21/34/66/1319213466.db2.gz XYYZQSLSVZMIMI-NVXWUHKLSA-N 2 0 347.890 2.128 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC001258777541 1319342810 /nfs/dbraw/zinc/34/28/10/1319342810.db2.gz XKGTVWQZKWCGNZ-UHFFFAOYSA-N 2 0 334.552 2.152 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131476 1320078752 /nfs/dbraw/zinc/07/87/52/1320078752.db2.gz NGNOQMBOYRQIAT-MOPGFXCFSA-N 2 0 329.488 2.023 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399886 1320153934 /nfs/dbraw/zinc/15/39/34/1320153934.db2.gz GARHAHWWKITEJS-LJQANCHMSA-N 2 0 349.519 2.202 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001160646569 1320221452 /nfs/dbraw/zinc/22/14/52/1320221452.db2.gz RCOSWWPFKHJPDT-UHFFFAOYSA-N 2 0 349.438 2.043 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001162746493 1320948198 /nfs/dbraw/zinc/94/81/98/1320948198.db2.gz FJSDEEWQLQUHIQ-IBGZPJMESA-N 2 0 329.488 2.318 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001162935212 1320991261 /nfs/dbraw/zinc/99/12/61/1320991261.db2.gz UMHMEUHNRFUXPV-UHFFFAOYSA-N 2 0 343.515 2.258 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1nc(Cl)ccc1C#N ZINC001163126638 1321043710 /nfs/dbraw/zinc/04/37/10/1321043710.db2.gz UBEBDFRCGXXELW-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166425723 1321717181 /nfs/dbraw/zinc/71/71/81/1321717181.db2.gz SYRDTNBZEHGCMN-ZDUSSCGKSA-N 2 0 334.302 2.111 20 30 EEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203615404 1321923686 /nfs/dbraw/zinc/92/36/86/1321923686.db2.gz OHHGTTMHYHYTQD-SJORKVTESA-N 2 0 328.460 2.354 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2CCC(OC)CC2)CC1 ZINC001209401104 1324922971 /nfs/dbraw/zinc/92/29/71/1324922971.db2.gz KDPGEUFNMPJEQU-UHFFFAOYSA-N 2 0 335.536 2.483 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210218190 1325203400 /nfs/dbraw/zinc/20/34/00/1325203400.db2.gz PLPIASWGIYZJPS-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001574487021 1343678557 /nfs/dbraw/zinc/67/85/57/1343678557.db2.gz XUJLHHLSXOJLPT-ULQDDVLXSA-N 2 0 344.507 2.035 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938240 1371329095 /nfs/dbraw/zinc/32/90/95/1371329095.db2.gz SCGCIYAKOGNUSP-ZWOKBUDYSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410776 1371433681 /nfs/dbraw/zinc/43/36/81/1371433681.db2.gz OSDHHBJBKNAJCK-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001112444312 1371443826 /nfs/dbraw/zinc/44/38/26/1371443826.db2.gz PEGNPBVCQIPIGH-ZJOUEHCJSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+]CC(=O)N(CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001343038516 1372953591 /nfs/dbraw/zinc/95/35/91/1372953591.db2.gz WDRJXZNAUKCKFW-UHFFFAOYSA-N 2 0 327.472 2.112 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001367775838 1374259080 /nfs/dbraw/zinc/25/90/80/1374259080.db2.gz ICLFSGARINNUKC-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001378355077 1379884942 /nfs/dbraw/zinc/88/49/42/1379884942.db2.gz WXBGFOQEMVDPFO-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001381177935 1381547549 /nfs/dbraw/zinc/54/75/49/1381547549.db2.gz YJVOXNKHPHUCQD-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001382306847 1382060385 /nfs/dbraw/zinc/06/03/85/1382060385.db2.gz COBFCSRNZMWSFP-GJZGRUSLSA-N 2 0 348.516 2.431 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752814258 1406433524 /nfs/dbraw/zinc/43/35/24/1406433524.db2.gz FEZPURWZBNWDCJ-GOSISDBHSA-N 2 0 327.472 2.213 20 30 EEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755074848 1407084028 /nfs/dbraw/zinc/08/40/28/1407084028.db2.gz OFTBHRMGPAGSCT-GOSISDBHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001755075678 1407085804 /nfs/dbraw/zinc/08/58/04/1407085804.db2.gz LHYTYOGYGPWQIL-LJQANCHMSA-N 2 0 329.488 2.447 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389937 1400566202 /nfs/dbraw/zinc/56/62/02/1400566202.db2.gz PXPIWCLVRQRYQL-LSDHHAIUSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001733674529 1406013623 /nfs/dbraw/zinc/01/36/23/1406013623.db2.gz ZGBMEFJEJMDFPB-UXHICEINSA-N 2 0 341.499 2.207 20 30 EEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001755573455 1407644460 /nfs/dbraw/zinc/64/44/60/1407644460.db2.gz REXDYYRKWYDJQE-RBUKOAKNSA-N 2 0 333.520 2.347 20 30 EEEDRP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001755895200 1407965889 /nfs/dbraw/zinc/96/58/89/1407965889.db2.gz ZROKHNAAMUGDRS-IBGZPJMESA-N 2 0 340.471 2.147 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001121184341 1410214890 /nfs/dbraw/zinc/21/48/90/1410214890.db2.gz VLDPDYKDLUIGEP-LMBQMVEXSA-N 2 0 325.472 2.259 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691565051 1410397177 /nfs/dbraw/zinc/39/71/77/1410397177.db2.gz WVMGCZONESFSEJ-RTBURBONSA-N 2 0 342.487 2.426 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458275 760845465 /nfs/dbraw/zinc/84/54/65/760845465.db2.gz AGZNUPGCZKEMAF-RBUKOAKNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067393 769132990 /nfs/dbraw/zinc/13/29/90/769132990.db2.gz VNTMHLNKBJXBJE-WMZOPIPTSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477011 769655534 /nfs/dbraw/zinc/65/55/34/769655534.db2.gz JCRPWDZJNOEXQP-BZSNNMDCSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649286 773776051 /nfs/dbraw/zinc/77/60/51/773776051.db2.gz GOYFDWRSBKQRCC-IAGOWNOFSA-N 2 0 342.487 2.391 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820821 776963894 /nfs/dbraw/zinc/96/38/94/776963894.db2.gz PBULAVMPDSUIBY-FJIDUMEYSA-N 2 0 331.504 2.216 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414111 777343037 /nfs/dbraw/zinc/34/30/37/777343037.db2.gz HZMIXKMIAXSFMZ-HZPDHXFCSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3nccn3C)C[C@@]2(C)C1 ZINC000982397871 779992957 /nfs/dbraw/zinc/99/29/57/779992957.db2.gz UDIKUWHUNQWOCX-BGYRXZFFSA-N 2 0 344.503 2.489 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+](C)C ZINC001135317366 783601493 /nfs/dbraw/zinc/60/14/93/783601493.db2.gz YCSYLELKTWZYLL-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001135389614 783708315 /nfs/dbraw/zinc/70/83/15/783708315.db2.gz BEGRGNUJNIWMAL-KGLIPLIRSA-N 2 0 348.516 2.334 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743697 784351982 /nfs/dbraw/zinc/35/19/82/784351982.db2.gz ODJOSFWTSRNOEO-QWHCGFSZSA-N 2 0 334.302 2.110 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035730685 785033865 /nfs/dbraw/zinc/03/38/65/785033865.db2.gz SLHMJIYCEUDVGG-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587892 787779771 /nfs/dbraw/zinc/77/97/71/787779771.db2.gz ZYMSFJRKJCEFBF-UYAOXDASSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997185279 789378447 /nfs/dbraw/zinc/37/84/47/789378447.db2.gz FHHNESLFIJSEST-OAHLLOKOSA-N 2 0 338.455 2.496 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091111782 789793831 /nfs/dbraw/zinc/79/38/31/789793831.db2.gz CKELADGTRBTSEA-GPANFISMSA-N 2 0 327.900 2.344 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001146338907 791192450 /nfs/dbraw/zinc/19/24/50/791192450.db2.gz ITOBWTVMRFTSSZ-HOTGVXAUSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001146339406 791211165 /nfs/dbraw/zinc/21/11/65/791211165.db2.gz LBOIJPMCSLFBRA-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592810 791361963 /nfs/dbraw/zinc/36/19/63/791361963.db2.gz LMKAAPXJRZFBCD-JKSUJKDBSA-N 2 0 330.476 2.271 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005657 791817166 /nfs/dbraw/zinc/81/71/66/791817166.db2.gz HRSQCFWVNHBKBC-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147986065 792107960 /nfs/dbraw/zinc/10/79/60/792107960.db2.gz MPKFIGXVEBGXSC-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999278303 794200787 /nfs/dbraw/zinc/20/07/87/794200787.db2.gz IMMYPXRGXRPKNM-FHERZECASA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717267 794610344 /nfs/dbraw/zinc/61/03/44/794610344.db2.gz SSASLDPRPZICEF-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106150715 795127680 /nfs/dbraw/zinc/12/76/80/795127680.db2.gz BNHFPXKKPWZZQX-DMRZNYOFSA-N 2 0 327.900 2.153 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CCC(C)(C)C1)CCO2 ZINC001093408129 795146704 /nfs/dbraw/zinc/14/67/04/795146704.db2.gz VPOUQDHWTFJZAF-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001000217501 795557772 /nfs/dbraw/zinc/55/77/72/795557772.db2.gz HFVCQZZOWULRTM-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441102 796014978 /nfs/dbraw/zinc/01/49/78/796014978.db2.gz AAOSKBTYMVOFHU-RKVPGOIHSA-N 2 0 325.472 2.212 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094550296 796425347 /nfs/dbraw/zinc/42/53/47/796425347.db2.gz WQYCFNDMUYXQPJ-UYAOXDASSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179680 796678849 /nfs/dbraw/zinc/67/88/49/796678849.db2.gz FCPHLVZMBNEWSF-NZSAHSFTSA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078822845 797075940 /nfs/dbraw/zinc/07/59/40/797075940.db2.gz FORFGGGHYOQNNX-MSOLQXFVSA-N 2 0 343.471 2.385 20 30 EEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172965150 797173071 /nfs/dbraw/zinc/17/30/71/797173071.db2.gz BLOCOADKWXXDRN-CVEARBPZSA-N 2 0 336.480 2.209 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574954 798502665 /nfs/dbraw/zinc/50/26/65/798502665.db2.gz WUYSQYYEUURXFP-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580297 806668767 /nfs/dbraw/zinc/66/87/67/806668767.db2.gz HPTUDLRQJVWWLA-FPOVZHCZSA-N 2 0 345.531 2.494 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049465 798638077 /nfs/dbraw/zinc/63/80/77/798638077.db2.gz BZWAJLARJXUWDE-OTWHNJEPSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799196 800107654 /nfs/dbraw/zinc/10/76/54/800107654.db2.gz MZDYXYKSHGJUDE-RYRKJORJSA-N 2 0 337.508 2.031 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968383 800217484 /nfs/dbraw/zinc/21/74/84/800217484.db2.gz SLCAKGDNRGLXKV-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001182629369 801264913 /nfs/dbraw/zinc/26/49/13/801264913.db2.gz DSMDFAIWMGTPGF-LZQZEXGQSA-N 2 0 339.499 2.459 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183816170 801744419 /nfs/dbraw/zinc/74/44/19/801744419.db2.gz CXMKNMZELZVKLK-IAGOWNOFSA-N 2 0 330.476 2.453 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001184171882 801900155 /nfs/dbraw/zinc/90/01/55/801900155.db2.gz UGTNUUURYDUYLZ-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001004460429 802128462 /nfs/dbraw/zinc/12/84/62/802128462.db2.gz ZEPKWUHIDWWBAO-PMACEKPBSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623997 802294511 /nfs/dbraw/zinc/29/45/11/802294511.db2.gz YARPXAWHZZVEEG-ZCNNSNEGSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803094 804528415 /nfs/dbraw/zinc/52/84/15/804528415.db2.gz WGJPRMASCKBYCK-JYJNAYRXSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803095 804528494 /nfs/dbraw/zinc/52/84/94/804528494.db2.gz WGJPRMASCKBYCK-XHSDSOJGSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086579222 808152360 /nfs/dbraw/zinc/15/23/60/808152360.db2.gz RMXPRKCUECBOFO-IPMKNSEASA-N 2 0 327.472 2.241 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001086609569 810042250 /nfs/dbraw/zinc/04/22/50/810042250.db2.gz NCNVTIOWKHEMEQ-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001449023644 1094028692 /nfs/dbraw/zinc/02/86/92/1094028692.db2.gz WRKQLHXJRSVSNE-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001444819225 1099751361 /nfs/dbraw/zinc/75/13/61/1099751361.db2.gz CGERCXYYDKXLPE-BBRMVZONSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001495667970 1101409488 /nfs/dbraw/zinc/40/94/88/1101409488.db2.gz SZXGJANBAONPLZ-GXTWGEPZSA-N 2 0 346.313 2.110 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001499945657 1112551533 /nfs/dbraw/zinc/55/15/33/1112551533.db2.gz ZDMWDZGLQIRRPX-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000299456041 268072880 /nfs/dbraw/zinc/07/28/80/268072880.db2.gz AKHKXUYANMZFIM-UHFFFAOYSA-N 2 0 335.455 2.255 20 30 EEEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000106483859 279312532 /nfs/dbraw/zinc/31/25/32/279312532.db2.gz DYPXIRSNHFBQDZ-QGZVFWFLSA-N 2 0 330.476 2.095 20 30 EEEDRP C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000341260772 465080572 /nfs/dbraw/zinc/08/05/72/465080572.db2.gz CFLNDBUDQAFQPY-QGZVFWFLSA-N 2 0 331.504 2.491 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000347600732 465115177 /nfs/dbraw/zinc/11/51/77/465115177.db2.gz WBEMMRXISKMGQC-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000296461846 465202834 /nfs/dbraw/zinc/20/28/34/465202834.db2.gz WCODIMRXLZYMOZ-UHFFFAOYSA-N 2 0 344.503 2.281 20 30 EEEDRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](c1cncn1C)N(C)C ZINC000329214435 465269109 /nfs/dbraw/zinc/26/91/09/465269109.db2.gz LDLGTSRYVUTHRZ-IVSAIRAKSA-N 2 0 335.496 2.346 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000068280590 463115467 /nfs/dbraw/zinc/11/54/67/463115467.db2.gz VQCIEBFCFXZWMQ-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000157693701 463159148 /nfs/dbraw/zinc/15/91/48/463159148.db2.gz CEODGBMYUCXVBB-HXUWFJFHSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000283005452 463731355 /nfs/dbraw/zinc/73/13/55/463731355.db2.gz RMZXVHNYHFUIDN-GOSISDBHSA-N 2 0 347.890 2.404 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccsc1Br ZINC000261665132 463820935 /nfs/dbraw/zinc/82/09/35/463820935.db2.gz FXZSQUXPIJMFQY-NSHDSACASA-N 2 0 345.310 2.399 20 30 EEEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCN(c2cccs2)CC1 ZINC000261846551 463877518 /nfs/dbraw/zinc/87/75/18/463877518.db2.gz XKOBKVBVUYPREI-UHFFFAOYSA-N 2 0 349.548 2.177 20 30 EEEDRP C=CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898244 463892149 /nfs/dbraw/zinc/89/21/49/463892149.db2.gz VKJPAFJKKAMBPT-YJBOKZPZSA-N 2 0 326.448 2.211 20 30 EEEDRP COCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270547570 464261104 /nfs/dbraw/zinc/26/11/04/464261104.db2.gz FFAPPXDIYJQNPT-SWLSCSKDSA-N 2 0 342.846 2.023 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)no1 ZINC000264078890 464280218 /nfs/dbraw/zinc/28/02/18/464280218.db2.gz GTTNTSOEJKUQTH-HNNXBMFYSA-N 2 0 327.432 2.230 20 30 EEEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000264079291 464280855 /nfs/dbraw/zinc/28/08/55/464280855.db2.gz IDFUWOKMRASMEM-GJZGRUSLSA-N 2 0 330.476 2.401 20 30 EEEDRP CCN(CC)C(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264093817 464282619 /nfs/dbraw/zinc/28/26/19/464282619.db2.gz LYWNMUPWXHQNMJ-UHFFFAOYSA-N 2 0 345.535 2.241 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000264424096 464319846 /nfs/dbraw/zinc/31/98/46/464319846.db2.gz RQNDBHGWSFFWRF-KRWDZBQOSA-N 2 0 346.475 2.366 20 30 EEEDRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)CN1CC[NH+](C)CC1 ZINC000181689226 464521440 /nfs/dbraw/zinc/52/14/40/464521440.db2.gz LRMBTIMEVGLCTL-IAGOWNOFSA-N 2 0 330.476 2.123 20 30 EEEDRP CC[NH+]1CCC(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CC1 ZINC000267457906 464932854 /nfs/dbraw/zinc/93/28/54/464932854.db2.gz UBQUMXHMSKRYKQ-UHFFFAOYSA-N 2 0 348.491 2.230 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358785201 465320116 /nfs/dbraw/zinc/32/01/16/465320116.db2.gz ZJEMZLIXZPSXTA-LJQANCHMSA-N 2 0 344.503 2.109 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000366824748 465956569 /nfs/dbraw/zinc/95/65/69/465956569.db2.gz GLPYFZAOHSNYTH-QGZVFWFLSA-N 2 0 334.508 2.010 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368236191 466590233 /nfs/dbraw/zinc/59/02/33/466590233.db2.gz RZODGBJYINLSTL-OJAHFUOMSA-N 2 0 339.483 2.015 20 30 EEEDRP C=CCN1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865076 466685371 /nfs/dbraw/zinc/68/53/71/466685371.db2.gz XBCMFRZAFFQGAO-AZUAARDMSA-N 2 0 327.472 2.482 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000417057492 466766202 /nfs/dbraw/zinc/76/62/02/466766202.db2.gz BLNUTTDXQLVYIF-GOSISDBHSA-N 2 0 348.535 2.470 20 30 EEEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000424143856 466989438 /nfs/dbraw/zinc/98/94/38/466989438.db2.gz GOZSKRSHEVIGBJ-GOSISDBHSA-N 2 0 328.460 2.131 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000115115487 526924983 /nfs/dbraw/zinc/92/49/83/526924983.db2.gz JVXJQMYCHHRHDB-UHFFFAOYSA-N 2 0 345.512 2.174 20 30 EEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000760701826 577668293 /nfs/dbraw/zinc/66/82/93/577668293.db2.gz FNKASDTZORZIBH-MRXNPFEDSA-N 2 0 331.460 2.302 20 30 EEEDRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC000970178271 675669251 /nfs/dbraw/zinc/66/92/51/675669251.db2.gz OUFIMSBSDDNJBH-OAHLLOKOSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622599 676277071 /nfs/dbraw/zinc/27/70/71/676277071.db2.gz KLEUXBGLZJPALS-MJGOQNOKSA-N 2 0 336.439 2.284 20 30 EEEDRP CC[NH+](CC)C[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]C)C1 ZINC000261622009 676349672 /nfs/dbraw/zinc/34/96/72/676349672.db2.gz HZNKFDFUHGZUAL-WNRNVDISSA-N 2 0 348.535 2.183 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023125516 679134828 /nfs/dbraw/zinc/13/48/28/679134828.db2.gz RROWFXATDLQRGK-TUVASFSCSA-N 2 0 346.500 2.229 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023130686 679137507 /nfs/dbraw/zinc/13/75/07/679137507.db2.gz ZRMKVFKZHLABOK-JKIFEVAISA-N 2 0 346.500 2.231 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001023449205 679314551 /nfs/dbraw/zinc/31/45/51/679314551.db2.gz JRGREPPNHNUDQG-IRXDYDNUSA-N 2 0 330.476 2.240 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001023553997 679374511 /nfs/dbraw/zinc/37/45/11/679374511.db2.gz DUABFHQASCBPFE-MJGOQNOKSA-N 2 0 349.519 2.034 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825119 /nfs/dbraw/zinc/82/51/19/679825119.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 0 346.500 2.041 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984801128 685276580 /nfs/dbraw/zinc/27/65/80/685276580.db2.gz ZJTOSYBPWCNTDW-SNRMKQJTSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024517065 680022860 /nfs/dbraw/zinc/02/28/60/680022860.db2.gz QMBONULZAQPFCS-IRXDYDNUSA-N 2 0 330.476 2.382 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616035 681801413 /nfs/dbraw/zinc/80/14/13/681801413.db2.gz BCAAOJGJCBAXMV-NRSPTQNISA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288976 682397827 /nfs/dbraw/zinc/39/78/27/682397827.db2.gz NVTPCMDRJMUNLJ-RBUKOAKNSA-N 2 0 340.471 2.240 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301266 682414176 /nfs/dbraw/zinc/41/41/76/682414176.db2.gz IMXFPTDSVKLDHO-RTBURBONSA-N 2 0 331.504 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591387 683061150 /nfs/dbraw/zinc/06/11/50/683061150.db2.gz BCAUKNSAUALRNC-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3cnc(C)c3)C[C@H]21 ZINC000992724539 683305639 /nfs/dbraw/zinc/30/56/39/683305639.db2.gz DDVHIKXVLBEEOU-BRWVUGGUSA-N 2 0 330.476 2.329 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000992756493 683393631 /nfs/dbraw/zinc/39/36/31/683393631.db2.gz MWLAFOAMQFUGKW-RCCFBDPRSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001026403606 684574952 /nfs/dbraw/zinc/57/49/52/684574952.db2.gz MEUNVOSPOBVOOG-NUEKZKHPSA-N 2 0 348.878 2.340 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001026571735 684750113 /nfs/dbraw/zinc/75/01/13/684750113.db2.gz JNFNVJISEAYBGG-UHFFFAOYSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262477432 686279599 /nfs/dbraw/zinc/27/95/99/686279599.db2.gz ZZKRUHIRGROIQG-BBWFWOEESA-N 2 0 334.508 2.005 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622898 692857757 /nfs/dbraw/zinc/85/77/57/692857757.db2.gz UGQKJYRAXOESDM-SFHVURJKSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880465 1192643069 /nfs/dbraw/zinc/64/30/69/1192643069.db2.gz MCBDTOIEVIWUEW-HAGHYFMRSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H](C)CC)[C@H](C)C2)CC1 ZINC001107034292 1192859620 /nfs/dbraw/zinc/85/96/20/1192859620.db2.gz UHRMTMUTYLIELH-YQVWRLOYSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502310 1181579476 /nfs/dbraw/zinc/57/94/76/1181579476.db2.gz KVBVPPVZYSYVGU-INIZCTEOSA-N 2 0 327.900 2.251 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001482427265 1185681274 /nfs/dbraw/zinc/68/12/74/1185681274.db2.gz ACUBXVCXTQHKBY-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001105482002 1188098440 /nfs/dbraw/zinc/09/84/40/1188098440.db2.gz PCOYNQHTTQTDAB-ZJRDLVKKSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539661 1188161073 /nfs/dbraw/zinc/16/10/73/1188161073.db2.gz MNKJANNJCAKJCA-KURKYZTESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001034537807 1196358843 /nfs/dbraw/zinc/35/88/43/1196358843.db2.gz DLKDACXMBXTANU-QZTJIDSGSA-N 2 0 337.483 2.050 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001034971012 1196928040 /nfs/dbraw/zinc/92/80/40/1196928040.db2.gz ALWKRZABHULFPQ-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001034971679 1196928996 /nfs/dbraw/zinc/92/89/96/1196928996.db2.gz UCJPSAAJNGDDCZ-CZUORRHYSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876756803 1199759615 /nfs/dbraw/zinc/75/96/15/1199759615.db2.gz YUDMOCNDTDCMLL-OAHLLOKOSA-N 2 0 341.377 2.472 20 30 EEEDRP CC(C)CNC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000104173161 1204612382 /nfs/dbraw/zinc/61/23/82/1204612382.db2.gz KXBJKVGVTFICJP-UHFFFAOYSA-N 2 0 345.535 2.145 20 30 EEEDRP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001275132424 1205264632 /nfs/dbraw/zinc/26/46/32/1205264632.db2.gz SLDCCFMDDGKBNO-OYRHEFFESA-N 2 0 325.500 2.373 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCOCC2)cc1C#N ZINC001275171836 1205273353 /nfs/dbraw/zinc/27/33/53/1205273353.db2.gz PEEDOMYELYSMJV-YQQQUEKLSA-N 2 0 342.487 2.408 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001275786089 1205526289 /nfs/dbraw/zinc/52/62/89/1205526289.db2.gz CLTYKRTVXZZVKN-AEFFLSMTSA-N 2 0 337.471 2.107 20 30 EEEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1 ZINC001275959352 1205603221 /nfs/dbraw/zinc/60/32/21/1205603221.db2.gz CFNFLZLDVWNGPZ-AZUAARDMSA-N 2 0 329.488 2.319 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111228449 1208393383 /nfs/dbraw/zinc/39/33/83/1208393383.db2.gz HBPLKAOORJEPGR-QRVBRYPASA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908771 1208771411 /nfs/dbraw/zinc/77/14/11/1208771411.db2.gz VHCIPYCEFJFAAS-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[NH+]1CCC(N(C)C(=O)CN2CCc3sccc3C2)CC1 ZINC001006434440 1209285643 /nfs/dbraw/zinc/28/56/43/1209285643.db2.gz IZIGIEMSVIBZGS-UHFFFAOYSA-N 2 0 333.501 2.215 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)CC1 ZINC000957647324 1215294901 /nfs/dbraw/zinc/29/49/01/1215294901.db2.gz CAJFHYULVQUIMY-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303252185 1215784025 /nfs/dbraw/zinc/78/40/25/1215784025.db2.gz BFXUCAWGFINRAI-KRWDZBQOSA-N 2 0 331.508 2.210 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001114848842 1215834955 /nfs/dbraw/zinc/83/49/55/1215834955.db2.gz GXQQRGSEELNMKG-KXTWHKPSSA-N 2 0 341.499 2.174 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1Cl ZINC000304758921 1216103483 /nfs/dbraw/zinc/10/34/83/1216103483.db2.gz QPIGVSJZDXCORV-CQSZACIVSA-N 2 0 326.847 2.410 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000960304457 1216483091 /nfs/dbraw/zinc/48/30/91/1216483091.db2.gz UUIGBSYSHNDIMP-RTBURBONSA-N 2 0 327.472 2.276 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230123 1217099094 /nfs/dbraw/zinc/09/90/94/1217099094.db2.gz KLTMRXQSZXMAAK-MOPGFXCFSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000965065731 1218869542 /nfs/dbraw/zinc/86/95/42/1218869542.db2.gz ZPVICLCXLVDLCV-UHFFFAOYSA-N 2 0 339.911 2.488 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423949 1220500375 /nfs/dbraw/zinc/50/03/75/1220500375.db2.gz MJKPFTJWCHWWQK-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC=C(C)C)CC[C@H]2C)CC1 ZINC000968680616 1221486922 /nfs/dbraw/zinc/48/69/22/1221486922.db2.gz BWYSTPNSLSSOQI-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC2CCC2)CC3)CC1 ZINC001016983967 1227013651 /nfs/dbraw/zinc/01/36/51/1227013651.db2.gz AXNODDDPBDTTRN-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017148177 1227170459 /nfs/dbraw/zinc/17/04/59/1227170459.db2.gz GRIHHGNWYAOTGE-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001039042271 1230258897 /nfs/dbraw/zinc/25/88/97/1230258897.db2.gz OULPKWIFABNRPY-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131910 1230341447 /nfs/dbraw/zinc/34/14/47/1230341447.db2.gz YJJPJDIYVZJMQL-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165697 1230387159 /nfs/dbraw/zinc/38/71/59/1230387159.db2.gz RIPGKOLOBGYCBZ-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167414 1230391051 /nfs/dbraw/zinc/39/10/51/1230391051.db2.gz TVLOSKIZNGRZCA-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242866 1230476839 /nfs/dbraw/zinc/47/68/39/1230476839.db2.gz CUQVAQQTLVJGQP-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948346 1231408219 /nfs/dbraw/zinc/40/82/19/1231408219.db2.gz PBJPSUUDQGUVPU-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953181 1231408970 /nfs/dbraw/zinc/40/89/70/1231408970.db2.gz KHUYWANGOQZLBS-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001045188033 1233567625 /nfs/dbraw/zinc/56/76/25/1233567625.db2.gz ZHQJOUOVHJRCMY-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980039 1234270216 /nfs/dbraw/zinc/27/02/16/1234270216.db2.gz PPUALSYCBSPFTG-HXUWFJFHSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC)C3)CC1 ZINC001047209191 1235673100 /nfs/dbraw/zinc/67/31/00/1235673100.db2.gz QYOWNJYKHGFRNX-WDSOQIARSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC=C)CC1 ZINC001048589944 1238040883 /nfs/dbraw/zinc/04/08/83/1238040883.db2.gz DLKIXVBMIKUPHZ-FNLKRUPLSA-N 2 0 343.515 2.267 20 30 EEEDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793483 1238544947 /nfs/dbraw/zinc/54/49/47/1238544947.db2.gz ITZKOGBMSADMDV-ZWKOTPCHSA-N 2 0 328.460 2.186 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001000991617 1241394820 /nfs/dbraw/zinc/39/48/20/1241394820.db2.gz IZUVJEVCIIBJIN-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001000992598 1241400881 /nfs/dbraw/zinc/40/08/81/1241400881.db2.gz NZJDRPUGQNOYQO-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913452 1242676723 /nfs/dbraw/zinc/67/67/23/1242676723.db2.gz YFDXIRYMRYCJIP-PMACEKPBSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050563315 1243850675 /nfs/dbraw/zinc/85/06/75/1243850675.db2.gz CBSONIJAEUHOAM-OAHLLOKOSA-N 2 0 325.884 2.148 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001050663418 1244074742 /nfs/dbraw/zinc/07/47/42/1244074742.db2.gz UHNNMJMBCXVZLO-IBGZPJMESA-N 2 0 337.483 2.309 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050766065 1244320717 /nfs/dbraw/zinc/32/07/17/1244320717.db2.gz GGPJXSSVJWWBCK-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701277 1244783787 /nfs/dbraw/zinc/78/37/87/1244783787.db2.gz CALFXXHCSJBBRT-VQIMIIECSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096418 1245893115 /nfs/dbraw/zinc/89/31/15/1245893115.db2.gz SXHKQGGSTQFBEC-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001101546866 1245950424 /nfs/dbraw/zinc/95/04/24/1245950424.db2.gz VCGDXCFNCOCCLY-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145169 1247517384 /nfs/dbraw/zinc/51/73/84/1247517384.db2.gz LOIIQFXOZGEDGF-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171598 1247597388 /nfs/dbraw/zinc/59/73/88/1247597388.db2.gz VAOGBCDSHZUKGM-FPOVZHCZSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199223 1247694372 /nfs/dbraw/zinc/69/43/72/1247694372.db2.gz QIKBIERIXCCTQX-DOTOQJQBSA-N 2 0 327.900 2.394 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001101039195 1259603294 /nfs/dbraw/zinc/60/32/94/1259603294.db2.gz AACFYLHYIUPBEQ-UHFFFAOYSA-N 2 0 346.450 2.022 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001187240795 1279447585 /nfs/dbraw/zinc/44/75/85/1279447585.db2.gz MASKQGXQVSSIPQ-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001187221246 1279465300 /nfs/dbraw/zinc/46/53/00/1279465300.db2.gz VSNJIHZAHCVPNH-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188139375 1279774668 /nfs/dbraw/zinc/77/46/68/1279774668.db2.gz MYIWAJOXFBEDGZ-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405174 1279882434 /nfs/dbraw/zinc/88/24/34/1279882434.db2.gz CJNUEJYHVUZFGX-DOTOQJQBSA-N 2 0 348.878 2.193 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193400625 1282484748 /nfs/dbraw/zinc/48/47/48/1282484748.db2.gz ZQOYLFTYQBYZNQ-UYAOXDASSA-N 2 0 327.472 2.019 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001197907373 1284901134 /nfs/dbraw/zinc/90/11/34/1284901134.db2.gz CUVHNOOJGZWYPB-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902200 1285402581 /nfs/dbraw/zinc/40/25/81/1285402581.db2.gz HSEMUVIXDVHBQH-SJORKVTESA-N 2 0 333.476 2.358 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001202358851 1289961679 /nfs/dbraw/zinc/96/16/79/1289961679.db2.gz HHFVUOMAFYJUEW-HXUWFJFHSA-N 2 0 341.499 2.205 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCOC2)cc1C#N ZINC001276718790 1296759069 /nfs/dbraw/zinc/75/90/69/1296759069.db2.gz KXUIQABCPHICBJ-UXDRXVOSSA-N 2 0 342.487 2.408 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC001215461257 1296910988 /nfs/dbraw/zinc/91/09/88/1296910988.db2.gz YKHQQRTUVFQOSZ-CRAIPNDOSA-N 2 0 347.890 2.080 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001216954271 1297339200 /nfs/dbraw/zinc/33/92/00/1297339200.db2.gz RVKUJKNTTLOIHM-NVXWUHKLSA-N 2 0 331.460 2.195 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001073904795 1297675319 /nfs/dbraw/zinc/67/53/19/1297675319.db2.gz NMPCYVJGIVBXFY-QGZVFWFLSA-N 2 0 349.475 2.128 20 30 EEEDRP N#Cc1c(NC(=O)C23CCC([NH3+])(CC2)CC3)sc2c1CC[NH2+]C2 ZINC001218552633 1297710828 /nfs/dbraw/zinc/71/08/28/1297710828.db2.gz JTOLFLLVEHHCFW-UHFFFAOYSA-N 2 0 330.457 2.256 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001099079120 1298862169 /nfs/dbraw/zinc/86/21/69/1298862169.db2.gz NOWHAMSXPYCBPE-FPOVZHCZSA-N 2 0 339.483 2.356 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222072771 1299323411 /nfs/dbraw/zinc/32/34/11/1299323411.db2.gz LXQKWJYMAPPOHB-INIZCTEOSA-N 2 0 331.460 2.339 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015944 1300144677 /nfs/dbraw/zinc/14/46/77/1300144677.db2.gz WCDNARXUQDUQOF-BPLDGKMQSA-N 2 0 333.879 2.103 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901134 1300322933 /nfs/dbraw/zinc/32/29/33/1300322933.db2.gz RQBXCKOCDGDMKC-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230717187 1303412192 /nfs/dbraw/zinc/41/21/92/1303412192.db2.gz SYJNNURYVNYDBI-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CC[NH+](CCCNC(=O)C[N@H+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846463 1303497606 /nfs/dbraw/zinc/49/76/06/1303497606.db2.gz KNOZIEBRTFYXCS-KRWDZBQOSA-N 2 0 330.476 2.060 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949049 1304098896 /nfs/dbraw/zinc/09/88/96/1304098896.db2.gz LDMZLNNMZLMJMP-RDJZCZTQSA-N 2 0 327.900 2.442 20 30 EEEDRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]3C2)cn1 ZINC001232842510 1304268450 /nfs/dbraw/zinc/26/84/50/1304268450.db2.gz HJYCVQXRDLGSBQ-CVEARBPZSA-N 2 0 341.484 2.307 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001112379011 1304507090 /nfs/dbraw/zinc/50/70/90/1304507090.db2.gz NGRAHWJUAJPNCW-JZXOWHBKSA-N 2 0 325.472 2.071 20 30 EEEDRP COC(=O)[C@H](C[NH3+])Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240360427 1309311742 /nfs/dbraw/zinc/31/17/42/1309311742.db2.gz FTCBRNTUGKIXAL-IBGZPJMESA-N 2 0 349.434 2.202 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448717 1309547309 /nfs/dbraw/zinc/54/73/09/1309547309.db2.gz DXIUSZMLEUAAMT-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117711 1309920693 /nfs/dbraw/zinc/92/06/93/1309920693.db2.gz QTANJENPUCBOPT-VCMYPUNYSA-N 2 0 331.504 2.454 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246304291 1310276626 /nfs/dbraw/zinc/27/66/26/1310276626.db2.gz LVSXWBIAKWLFQX-SJORKVTESA-N 2 0 337.508 2.258 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246411637 1310304600 /nfs/dbraw/zinc/30/46/00/1310304600.db2.gz BIJYKWJDRUFVFA-MSOLQXFVSA-N 2 0 346.906 2.486 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150333356 1316237485 /nfs/dbraw/zinc/23/74/85/1316237485.db2.gz MFHVRECODGJXSN-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151308718 1316501835 /nfs/dbraw/zinc/50/18/35/1316501835.db2.gz SPTAYZKACVWBFQ-QGZVFWFLSA-N 2 0 339.524 2.280 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152148858 1316638571 /nfs/dbraw/zinc/63/85/71/1316638571.db2.gz SEXZWLFKWHMZHL-HOTGVXAUSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034220 1316941873 /nfs/dbraw/zinc/94/18/73/1316941873.db2.gz WNYSEFHAQJMKGV-QUCCMNQESA-N 2 0 341.499 2.349 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903741 1317376141 /nfs/dbraw/zinc/37/61/41/1317376141.db2.gz ADBVLGYPNSFJHF-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180923 1317488992 /nfs/dbraw/zinc/48/89/92/1317488992.db2.gz XHXDHNZFEQOGJJ-IAGOWNOFSA-N 2 0 327.513 2.136 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036622 1318979449 /nfs/dbraw/zinc/97/94/49/1318979449.db2.gz DQIAAMHZYWNSHK-WOJBJXKFSA-N 2 0 339.483 2.008 20 30 EEEDRP C[NH+]1CCC(C#N)(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258139610 1319188038 /nfs/dbraw/zinc/18/80/38/1319188038.db2.gz KRHZOHMAHHYKKR-UHFFFAOYSA-N 2 0 326.488 2.271 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001160267986 1320117195 /nfs/dbraw/zinc/11/71/95/1320117195.db2.gz RNJMFJCPOXGGHY-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160359893 1320144109 /nfs/dbraw/zinc/14/41/09/1320144109.db2.gz FILVEKUPUNRJSI-IBGZPJMESA-N 2 0 331.504 2.411 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704688 1320594441 /nfs/dbraw/zinc/59/44/41/1320594441.db2.gz GBEXTMZBGVHYHP-RBUKOAKNSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924809 1320678442 /nfs/dbraw/zinc/67/84/42/1320678442.db2.gz LXJKPWUJPATPMU-ROUUACIJSA-N 2 0 349.519 2.200 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001162747186 1320948542 /nfs/dbraw/zinc/94/85/42/1320948542.db2.gz OOMNSPPTEGPGBK-IBGZPJMESA-N 2 0 329.488 2.318 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001162928529 1320990287 /nfs/dbraw/zinc/99/02/87/1320990287.db2.gz JZLMPQFHBFGJLV-IBGZPJMESA-N 2 0 341.499 2.155 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001162934657 1320991198 /nfs/dbraw/zinc/99/11/98/1320991198.db2.gz GXSDCOXKLCCSOJ-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536538 1321411778 /nfs/dbraw/zinc/41/17/78/1321411778.db2.gz UNEACEGRCKFZNG-QGZVFWFLSA-N 2 0 327.513 2.162 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]C/C=C\Cl)C23CCC3)CC1 ZINC001203773664 1321958400 /nfs/dbraw/zinc/95/84/00/1321958400.db2.gz WDADVJAGSILCKV-YCFODECYSA-N 2 0 349.906 2.101 20 30 EEEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001262562441 1322323319 /nfs/dbraw/zinc/32/33/19/1322323319.db2.gz AVPPLKLVPMFBCO-FCEWJHQRSA-N 2 0 331.460 2.071 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415912 1323121804 /nfs/dbraw/zinc/12/18/04/1323121804.db2.gz QPUUCSOTGFTYHW-HNNXBMFYSA-N 2 0 333.879 2.247 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205436989 1323132111 /nfs/dbraw/zinc/13/21/11/1323132111.db2.gz VYUXQEOJLVAWHK-OTWHNJEPSA-N 2 0 345.462 2.073 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865504 1323643255 /nfs/dbraw/zinc/64/32/55/1323643255.db2.gz RNNLFIGPYPWMPM-HXUWFJFHSA-N 2 0 329.488 2.478 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208457647 1324508181 /nfs/dbraw/zinc/50/81/81/1324508181.db2.gz YDSCXBDSUWVFDO-OAHLLOKOSA-N 2 0 336.867 2.241 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209232559 1324866827 /nfs/dbraw/zinc/86/68/27/1324866827.db2.gz KGXAAVZUJVRSKW-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001209486115 1324945865 /nfs/dbraw/zinc/94/58/65/1324945865.db2.gz WHRPDRHULAJWDQ-WOJBJXKFSA-N 2 0 341.499 2.205 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001491580175 1330172536 /nfs/dbraw/zinc/17/25/36/1330172536.db2.gz RIKDSNPFUHDDJV-HNNXBMFYSA-N 2 0 330.476 2.130 20 30 EEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001332078638 1335721011 /nfs/dbraw/zinc/72/10/11/1335721011.db2.gz ZSNGQLJRLQIOLJ-DLBZAZTESA-N 2 0 348.878 2.379 20 30 EEEDRP C#CC[C@]1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574525023 1343679692 /nfs/dbraw/zinc/67/96/92/1343679692.db2.gz BSKOIBSCLKSKDC-HXUWFJFHSA-N 2 0 325.456 2.407 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001121232233 1371865125 /nfs/dbraw/zinc/86/51/25/1371865125.db2.gz BJZOLXWUWVLICH-HNSLBZJHSA-N 2 0 343.515 2.434 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200796213 1373113573 /nfs/dbraw/zinc/11/35/73/1373113573.db2.gz VMTMPEGBYQWFPG-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001367400287 1374157168 /nfs/dbraw/zinc/15/71/68/1374157168.db2.gz MTCRSJAVJJEGEK-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001367400292 1374157611 /nfs/dbraw/zinc/15/76/11/1374157611.db2.gz MTCRSJAVJJEGEK-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)[NH+](C)C ZINC001376811457 1378766859 /nfs/dbraw/zinc/76/68/59/1378766859.db2.gz YSMUYHWZAURLTG-SFHVURJKSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001379324963 1380681316 /nfs/dbraw/zinc/68/13/16/1380681316.db2.gz PYUBBLUWVDLACW-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001380286785 1381152176 /nfs/dbraw/zinc/15/21/76/1381152176.db2.gz PPMIPXSTKOZZDX-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001382136821 1381998969 /nfs/dbraw/zinc/99/89/69/1381998969.db2.gz ILGXNBNYBMEXNS-HNNXBMFYSA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392519290 1390077352 /nfs/dbraw/zinc/07/73/52/1390077352.db2.gz DOOQBOSECRCBSO-OAHLLOKOSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001393390120 1390423588 /nfs/dbraw/zinc/42/35/88/1390423588.db2.gz KXDIMNFNTXUOQC-HZPDHXFCSA-N 2 0 327.900 2.442 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001393803921 1390548067 /nfs/dbraw/zinc/54/80/67/1390548067.db2.gz FUUVIVSDKMZEQH-AWEZNQCLSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCC(C)C)C2)CC1 ZINC001753450681 1406742310 /nfs/dbraw/zinc/74/23/10/1406742310.db2.gz VRCAHQLWJBKYSE-LJQANCHMSA-N 2 0 333.520 2.301 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595448 1397465838 /nfs/dbraw/zinc/46/58/38/1397465838.db2.gz FVZUBVVGZBJFHM-YOEHRIQHSA-N 2 0 348.516 2.336 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754469796 1406914219 /nfs/dbraw/zinc/91/42/19/1406914219.db2.gz FZZVEPLPHVNBRS-IEBWSBKVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001754865596 1406970099 /nfs/dbraw/zinc/97/00/99/1406970099.db2.gz OBFCIPRRIDWRGI-CEXWTWQISA-N 2 0 349.519 2.129 20 30 EEEDRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576385824 1403569935 /nfs/dbraw/zinc/56/99/35/1403569935.db2.gz YQLFBIIPUFBICK-KBAYOESNSA-N 2 0 326.444 2.253 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001755464739 1407499396 /nfs/dbraw/zinc/49/93/96/1407499396.db2.gz PDZFNKMHKCLENP-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755520500 1407578749 /nfs/dbraw/zinc/57/87/49/1407578749.db2.gz JVJZTOKWYAPIHM-SJORKVTESA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755548193 1407622459 /nfs/dbraw/zinc/62/24/59/1407622459.db2.gz WGMCQMUPVJDXNZ-MOPGFXCFSA-N 2 0 327.472 2.189 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755851325 1407903093 /nfs/dbraw/zinc/90/30/93/1407903093.db2.gz HTFCXYQFDWMJHN-KGLIPLIRSA-N 2 0 335.414 2.273 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)s1 ZINC001168030035 782398735 /nfs/dbraw/zinc/39/87/35/782398735.db2.gz LVGWMDZXBKGKMM-WMLDXEAASA-N 2 0 346.500 2.233 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104288283 757957888 /nfs/dbraw/zinc/95/78/88/757957888.db2.gz VGYPXWCEBDQDQD-QRVBRYPASA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104895589 765524507 /nfs/dbraw/zinc/52/45/07/765524507.db2.gz AXRPYMJIKPFNGI-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669410 770002703 /nfs/dbraw/zinc/00/27/03/770002703.db2.gz ZKGRDYUROKGOJM-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089868541 782929707 /nfs/dbraw/zinc/92/97/07/782929707.db2.gz DCCHGZCDANIEIJ-HAGHYFMRSA-N 2 0 345.531 2.463 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089646841 773683776 /nfs/dbraw/zinc/68/37/76/773683776.db2.gz QDQXRYIYZAWNCE-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980169833 774000283 /nfs/dbraw/zinc/00/02/83/774000283.db2.gz JJAVZLZHEYLKIV-KSZLIROESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997617159 790454622 /nfs/dbraw/zinc/45/46/22/790454622.db2.gz DXBWJAXFWLESSM-LPHOPBHVSA-N 2 0 331.504 2.243 20 30 EEEDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)CC[NH2+]CC1 ZINC000925812507 777624809 /nfs/dbraw/zinc/62/48/09/777624809.db2.gz IFGMABXVMZLVGL-ZDUSSCGKSA-N 2 0 333.407 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541008 777625146 /nfs/dbraw/zinc/62/51/46/777625146.db2.gz IKGUBOUIABTHDA-RBUKOAKNSA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC000981813581 778238847 /nfs/dbraw/zinc/23/88/47/778238847.db2.gz NFWGNRIMLPIEKC-MRXNPFEDSA-N 2 0 328.460 2.261 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137915 778345220 /nfs/dbraw/zinc/34/52/20/778345220.db2.gz PHHZVQFKTAJLQG-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163751 779182881 /nfs/dbraw/zinc/18/28/81/779182881.db2.gz RUUMUNZVPYFWAS-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC001135477384 783866349 /nfs/dbraw/zinc/86/63/49/783866349.db2.gz GBFFMMOPXLXAFF-GOSISDBHSA-N 2 0 330.476 2.130 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035193315 784082557 /nfs/dbraw/zinc/08/25/57/784082557.db2.gz YIMSSDLEPWHKCN-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035216047 784140394 /nfs/dbraw/zinc/14/03/94/784140394.db2.gz RFLIMNMHUQYYSU-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979029 784904011 /nfs/dbraw/zinc/90/40/11/784904011.db2.gz AYMYYLWGHCWHPK-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977783 784929218 /nfs/dbraw/zinc/92/92/18/784929218.db2.gz ZAQXDYSIGKMOGQ-ROUUACIJSA-N 2 0 329.488 2.253 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705518 784986964 /nfs/dbraw/zinc/98/69/64/784986964.db2.gz DYWGJIQIRTVVEB-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035856451 785296773 /nfs/dbraw/zinc/29/67/73/785296773.db2.gz OIHOHZBLPHCMPD-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996099377 786010268 /nfs/dbraw/zinc/01/02/68/786010268.db2.gz LYZKIMARCQEDOP-JKSUJKDBSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996675325 787102365 /nfs/dbraw/zinc/10/23/65/787102365.db2.gz XPSOPDFZOWTDGR-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996675323 787102703 /nfs/dbraw/zinc/10/27/03/787102703.db2.gz XPSOPDFZOWTDGR-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485375 787381706 /nfs/dbraw/zinc/38/17/06/787381706.db2.gz YGWODOOMHCOSEN-QWFCFKBJSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550441 787578374 /nfs/dbraw/zinc/57/83/74/787578374.db2.gz VQSGBDWYSHRCGK-AHRSYUTCSA-N 2 0 349.494 2.193 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000996980639 788325593 /nfs/dbraw/zinc/32/55/93/788325593.db2.gz YXIQXBTUJCBAEC-QGZVFWFLSA-N 2 0 348.516 2.287 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946845516 788578201 /nfs/dbraw/zinc/57/82/01/788578201.db2.gz AUGVZXCOJLEPEV-KDURUIRLSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991502002 789143970 /nfs/dbraw/zinc/14/39/70/789143970.db2.gz JOPAFVDMNHBYPK-QUCCMNQESA-N 2 0 336.439 2.393 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001146339409 791210785 /nfs/dbraw/zinc/21/07/85/791210785.db2.gz LBOIJPMCSLFBRA-LSDHHAIUSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981755 792356885 /nfs/dbraw/zinc/35/68/85/792356885.db2.gz FLIDNRHRXSRJAS-PKOBYXMFSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCCC(C)C)C3)CC1 ZINC001148827444 792702418 /nfs/dbraw/zinc/70/24/18/792702418.db2.gz DAESDHNOGOQULY-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941642 793032018 /nfs/dbraw/zinc/03/20/18/793032018.db2.gz ZLRJHTCCQCMSJD-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927927 793052121 /nfs/dbraw/zinc/05/21/21/793052121.db2.gz QQSTVHSGNRBVRM-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086934655 793073678 /nfs/dbraw/zinc/07/36/78/793073678.db2.gz WPMYYNCRAOTKTA-IEBWSBKVSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC000992504086 794432944 /nfs/dbraw/zinc/43/29/44/794432944.db2.gz GBUVPUYQPQMXKV-FPOVZHCZSA-N 2 0 343.515 2.411 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508374 794560576 /nfs/dbraw/zinc/56/05/76/794560576.db2.gz HMNTTWOVTRDQFL-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000999490600 794592613 /nfs/dbraw/zinc/59/26/13/794592613.db2.gz RFKXPUSAUSSMDA-XJKSGUPXSA-N 2 0 334.489 2.041 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1F ZINC001079309640 794599406 /nfs/dbraw/zinc/59/94/06/794599406.db2.gz JSKMEFSGNHMIBX-PKOBYXMFSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371824 795103834 /nfs/dbraw/zinc/10/38/34/795103834.db2.gz VNAGUDYEDKHFOM-OALUTQOASA-N 2 0 343.515 2.053 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377078 795112370 /nfs/dbraw/zinc/11/23/70/795112370.db2.gz FZODROCKNDIPEF-RTBURBONSA-N 2 0 345.531 2.299 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836348 795347999 /nfs/dbraw/zinc/34/79/99/795347999.db2.gz PJDVNVGGIFZKDI-IAGOWNOFSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334143 795741740 /nfs/dbraw/zinc/74/17/40/795741740.db2.gz DSXXMDATJPIKTG-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094529030 796362455 /nfs/dbraw/zinc/36/24/55/796362455.db2.gz FVHKIGTYJFVISX-QWFCFKBJSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902915 796441434 /nfs/dbraw/zinc/44/14/34/796441434.db2.gz SCARNJQWTCNXHU-PMACEKPBSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1ccccc1 ZINC001081147016 796665402 /nfs/dbraw/zinc/66/54/02/796665402.db2.gz VNBQVAWLRJULMC-VQTJNVASSA-N 2 0 344.418 2.165 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078640100 796787114 /nfs/dbraw/zinc/78/71/14/796787114.db2.gz SFOPQXUGSISQMX-LSDHHAIUSA-N 2 0 331.485 2.074 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC001172303342 796949630 /nfs/dbraw/zinc/94/96/30/796949630.db2.gz XAGJVXAXJNUPBF-XOKHGSTOSA-N 2 0 344.459 2.025 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094933533 797047624 /nfs/dbraw/zinc/04/76/24/797047624.db2.gz UDDSJQSXWZNGMO-BPUTZDHNSA-N 2 0 331.485 2.026 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@H](OC)C1 ZINC001212442608 797095688 /nfs/dbraw/zinc/09/56/88/797095688.db2.gz RKLCMMOFPBWRGC-KZNAEPCWSA-N 2 0 348.491 2.252 20 30 EEEDRP C=CCN1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001108039612 797126630 /nfs/dbraw/zinc/12/66/30/797126630.db2.gz DBKZSTPGRIRFHU-IBGZPJMESA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201174 797401759 /nfs/dbraw/zinc/40/17/59/797401759.db2.gz IAQOWGAPSPMFJZ-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C[NH+](C)CCCCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422821 797442234 /nfs/dbraw/zinc/44/22/34/797442234.db2.gz WSNDVYMXYAXCIW-UHFFFAOYSA-N 2 0 342.487 2.484 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176157170 798373471 /nfs/dbraw/zinc/37/34/71/798373471.db2.gz NTLPQCSTHUNDGI-DLBZAZTESA-N 2 0 327.513 2.184 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404321 798411202 /nfs/dbraw/zinc/41/12/02/798411202.db2.gz VVQMMSYTKCPTBS-ROUUACIJSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564757 798498226 /nfs/dbraw/zinc/49/82/26/798498226.db2.gz RAARXCPEDJZAID-UONOGXRCSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001003483671 799734293 /nfs/dbraw/zinc/73/42/93/799734293.db2.gz SXZOCDYAQOPCKD-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C2)CC1 ZINC001183496384 801628762 /nfs/dbraw/zinc/62/87/62/801628762.db2.gz KBIUFQOTROIKED-WIYYLYMNSA-N 2 0 347.547 2.452 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086145290 802282928 /nfs/dbraw/zinc/28/29/28/802282928.db2.gz HLMOTEMTIRNNTH-OKILXGFUSA-N 2 0 345.834 2.118 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624006 802294640 /nfs/dbraw/zinc/29/46/40/802294640.db2.gz YJIZAMJYEYPFKC-NSHGMRRFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004570517 802391243 /nfs/dbraw/zinc/39/12/43/802391243.db2.gz UETUHXVDKKETCM-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742827 802996100 /nfs/dbraw/zinc/99/61/00/802996100.db2.gz IYUKSDFYDMOEAM-CALCHBBNSA-N 2 0 343.471 2.149 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744258 803420653 /nfs/dbraw/zinc/42/06/53/803420653.db2.gz OBPYXCOULOCWJI-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417883 803506261 /nfs/dbraw/zinc/50/62/61/803506261.db2.gz KOCMNOMWTNYITP-IBGZPJMESA-N 2 0 337.508 2.036 20 30 EEEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597389 809190819 /nfs/dbraw/zinc/19/08/19/809190819.db2.gz BUSVNCZPYZNJEM-RBUKOAKNSA-N 2 0 339.483 2.385 20 30 EEEDRP CCCCCCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467789 809297296 /nfs/dbraw/zinc/29/72/96/809297296.db2.gz VGSAWUAGLJUIFY-UHFFFAOYSA-N 2 0 341.540 2.194 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291366 810781413 /nfs/dbraw/zinc/78/14/13/810781413.db2.gz XAMPUFLITSTUNN-YRXWBPOGSA-N 2 0 333.520 2.345 20 30 EEEDRP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131700928 813131799 /nfs/dbraw/zinc/13/17/99/813131799.db2.gz LLMWVXRMBXVCEO-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131700930 813132258 /nfs/dbraw/zinc/13/22/58/813132258.db2.gz LLMWVXRMBXVCEO-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001437261034 1089401850 /nfs/dbraw/zinc/40/18/50/1089401850.db2.gz JVRBKYZEPCKOAK-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114821 1093176612 /nfs/dbraw/zinc/17/66/12/1093176612.db2.gz FMUZOXHSQBLVKK-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001441625745 1095503408 /nfs/dbraw/zinc/50/34/08/1095503408.db2.gz YLOLMYWCBWCZTC-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1)[NH+](C)C ZINC001444066970 1098591015 /nfs/dbraw/zinc/59/10/15/1098591015.db2.gz BPPDEGZBQZAYPN-MRXNPFEDSA-N 2 0 348.516 2.479 20 30 EEEDRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495051270 1104689172 /nfs/dbraw/zinc/68/91/72/1104689172.db2.gz URAVQPHCWFEHIN-QGZVFWFLSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001495052028 1104689189 /nfs/dbraw/zinc/68/91/89/1104689189.db2.gz XZRONQRHFKQDAP-KRWDZBQOSA-N 2 0 346.450 2.024 20 30 EEEDRP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1C#N ZINC000191288150 239016543 /nfs/dbraw/zinc/01/65/43/239016543.db2.gz LBOYONFFZHXLDZ-UHFFFAOYSA-N 2 0 338.455 2.143 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491544113 246066832 /nfs/dbraw/zinc/06/68/32/246066832.db2.gz KHDHIGBZRSPBDK-LJQANCHMSA-N 2 0 326.440 2.149 20 30 EEEDRP N#Cc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000174358926 207013902 /nfs/dbraw/zinc/01/39/02/207013902.db2.gz HPAQIYSMFWDXSW-UHFFFAOYSA-N 2 0 325.412 2.398 20 30 EEEDRP CCC[N@H+](CCOc1ccccc1C#N)CCN1CC[NH+](CC)CC1 ZINC000344156291 161203120 /nfs/dbraw/zinc/20/31/20/161203120.db2.gz KWUCBNUCAWNYFQ-UHFFFAOYSA-N 2 0 344.503 2.287 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000565841401 319220266 /nfs/dbraw/zinc/22/02/66/319220266.db2.gz YQJHUNOBHDIAQY-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)ccn2)CC1 ZINC000580605714 324094861 /nfs/dbraw/zinc/09/48/61/324094861.db2.gz LQZZGWWRYQYDSC-HXUWFJFHSA-N 2 0 347.466 2.482 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154256514 462747399 /nfs/dbraw/zinc/74/73/99/462747399.db2.gz ONHZQRRVNSBZHT-SFHVURJKSA-N 2 0 329.488 2.377 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330842 463579816 /nfs/dbraw/zinc/57/98/16/463579816.db2.gz BUBBLRNRIZQAEY-SFHVURJKSA-N 2 0 328.460 2.046 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171722665 463913941 /nfs/dbraw/zinc/91/39/41/463913941.db2.gz MYQGUUIJXYTQCX-INIZCTEOSA-N 2 0 336.524 2.447 20 30 EEEDRP C=CCc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc(OC)c1O ZINC000290083285 464107103 /nfs/dbraw/zinc/10/71/03/464107103.db2.gz GOEOVQWEFSRXSC-UHFFFAOYSA-N 2 0 349.519 2.445 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264058983 464276719 /nfs/dbraw/zinc/27/67/19/464276719.db2.gz BZXGAAFYMSGIGB-HOTGVXAUSA-N 2 0 330.476 2.276 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895576 464375151 /nfs/dbraw/zinc/37/51/51/464375151.db2.gz VOXGJJMCQRYDNM-UXHICEINSA-N 2 0 339.483 2.112 20 30 EEEDRP CC1CCN(C(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190527970 464669371 /nfs/dbraw/zinc/66/93/71/464669371.db2.gz DJIKNOGFIJDABO-LJQANCHMSA-N 2 0 344.503 2.324 20 30 EEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000267910845 464944794 /nfs/dbraw/zinc/94/47/94/464944794.db2.gz ZLPNDVAJVCSOCD-IBGZPJMESA-N 2 0 332.492 2.483 20 30 EEEDRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H](C)[NH3+] ZINC000593918305 468432990 /nfs/dbraw/zinc/43/29/90/468432990.db2.gz DXKGEGCPLRETSL-BEFAXECRSA-N 2 0 342.487 2.258 20 30 EEEDRP C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC[NH2+]C1 ZINC000593918223 468433042 /nfs/dbraw/zinc/43/30/42/468433042.db2.gz ATWUQZLUFYOABZ-FQEVSTJZSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000343576324 465529764 /nfs/dbraw/zinc/52/97/64/465529764.db2.gz GSYYCSVDZZTFJF-LPHOPBHVSA-N 2 0 336.524 2.483 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364369478 466697745 /nfs/dbraw/zinc/69/77/45/466697745.db2.gz CXOJRUPTAPYRGT-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1Cl ZINC000424152874 466992102 /nfs/dbraw/zinc/99/21/02/466992102.db2.gz JFBMQNBUWNKMME-CQSZACIVSA-N 2 0 338.839 2.240 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000458311454 467807412 /nfs/dbraw/zinc/80/74/12/467807412.db2.gz AIMSLVHRXUDDAO-INIZCTEOSA-N 2 0 334.508 2.153 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488846368 468108604 /nfs/dbraw/zinc/10/86/04/468108604.db2.gz STKLYJYRDFTCKD-JENIJYKNSA-N 2 0 348.535 2.399 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000518817286 468128164 /nfs/dbraw/zinc/12/81/64/468128164.db2.gz NCSUJMSPNPPCOY-GOSISDBHSA-N 2 0 340.471 2.003 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000533051218 468165679 /nfs/dbraw/zinc/16/56/79/468165679.db2.gz MJESIGCLRUPKQD-SFHVURJKSA-N 2 0 345.491 2.166 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000571419767 468787115 /nfs/dbraw/zinc/78/71/15/468787115.db2.gz MMCROWZGCFXMSC-LJQANCHMSA-N 2 0 342.487 2.213 20 30 EEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595337843 468816825 /nfs/dbraw/zinc/81/68/25/468816825.db2.gz LTIUKOCEFTWHIL-FQEVSTJZSA-N 2 0 326.488 2.201 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609133484 469894753 /nfs/dbraw/zinc/89/47/53/469894753.db2.gz MYEQHIZXLORUEI-LPHOPBHVSA-N 2 0 336.524 2.482 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638100928 470964621 /nfs/dbraw/zinc/96/46/21/470964621.db2.gz OBTICAVBZFMXQM-OAHLLOKOSA-N 2 0 341.377 2.472 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000995225084 782131822 /nfs/dbraw/zinc/13/18/22/782131822.db2.gz BXVPIBRRJPDSGS-UYAOXDASSA-N 2 0 345.531 2.396 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000371042520 526587412 /nfs/dbraw/zinc/58/74/12/526587412.db2.gz JCRUZTXVVVFSMO-GOSISDBHSA-N 2 0 348.535 2.400 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000891921003 677703314 /nfs/dbraw/zinc/70/33/14/677703314.db2.gz HEPRUKYEWGQPNG-IEBWSBKVSA-N 2 0 348.535 2.271 20 30 EEEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262281922 679108133 /nfs/dbraw/zinc/10/81/33/679108133.db2.gz LFXIPADUUJPPFU-CYBMUJFWSA-N 2 0 326.391 2.048 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023130118 679136728 /nfs/dbraw/zinc/13/67/28/679136728.db2.gz ATKPOWBROWUSBQ-HZSPNIEDSA-N 2 0 344.297 2.006 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023507832 679346259 /nfs/dbraw/zinc/34/62/59/679346259.db2.gz AOZHTNDVRWZWKO-SFHVURJKSA-N 2 0 341.499 2.256 20 30 EEEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972583496 679354084 /nfs/dbraw/zinc/35/40/84/679354084.db2.gz WBTGQQHYEHGAAJ-QUCCMNQESA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000176989576 679794414 /nfs/dbraw/zinc/79/44/14/679794414.db2.gz CRUINUNZXSBZRX-INIZCTEOSA-N 2 0 330.476 2.093 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542069 681865828 /nfs/dbraw/zinc/86/58/28/681865828.db2.gz KWCGINFOYODDOH-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817754 682282111 /nfs/dbraw/zinc/28/21/11/682282111.db2.gz GGHOWAOOOPTVTO-SXLOBPIMSA-N 2 0 341.499 2.346 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273404 682379823 /nfs/dbraw/zinc/37/98/23/682379823.db2.gz DYUPRGZHADYHDD-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279437 682388259 /nfs/dbraw/zinc/38/82/59/682388259.db2.gz BQLHADYJQVNING-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3nccn3C)C[C@H]21 ZINC000992752086 683383369 /nfs/dbraw/zinc/38/33/69/683383369.db2.gz GZFIWMPCNSZXGV-BRWVUGGUSA-N 2 0 330.476 2.146 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001026404167 684576742 /nfs/dbraw/zinc/57/67/42/684576742.db2.gz PWZQZPCCSOZOEN-USXIJHARSA-N 2 0 328.460 2.164 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990814806 693908632 /nfs/dbraw/zinc/90/86/32/693908632.db2.gz JGERTMHKRKXYTG-QFBILLFUSA-N 2 0 328.460 2.061 20 30 EEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985653262 687397108 /nfs/dbraw/zinc/39/71/08/687397108.db2.gz KGDLNXVJYBDQQA-GOSISDBHSA-N 2 0 325.472 2.308 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(NC[C@]2(C)CCCC[C@H]2O)=[NH+]C)CC1 ZINC000262745907 688310607 /nfs/dbraw/zinc/31/06/07/688310607.db2.gz AJKYFDKOAZNRKI-MJGOQNOKSA-N 2 0 336.524 2.133 20 30 EEEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000262790203 688474005 /nfs/dbraw/zinc/47/40/05/688474005.db2.gz KODGEKOYSRAIDX-KUHUBIRLSA-N 2 0 348.539 2.212 20 30 EEEDRP Cc1ncc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000263021913 688901264 /nfs/dbraw/zinc/90/12/64/688901264.db2.gz ACLKUBBYXUMZGV-UHFFFAOYSA-N 2 0 327.432 2.052 20 30 EEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240286 692049844 /nfs/dbraw/zinc/04/98/44/692049844.db2.gz DXJVNWMVFNWNMS-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978271427 693437596 /nfs/dbraw/zinc/43/75/96/693437596.db2.gz MIPTVTVBFKUFBF-AKHDSKFASA-N 2 0 331.504 2.264 20 30 EEEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752141032 1179310638 /nfs/dbraw/zinc/31/06/38/1179310638.db2.gz BXLUYKREYQHOQC-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001482492126 1186307773 /nfs/dbraw/zinc/30/77/73/1186307773.db2.gz IGBXGARXYOGYIQ-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001105427401 1186940819 /nfs/dbraw/zinc/94/08/19/1186940819.db2.gz KMCMJYMEZHTMBN-IRFCIJBXSA-N 2 0 341.499 2.012 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001105447643 1187206958 /nfs/dbraw/zinc/20/69/58/1187206958.db2.gz LDQARXUMZMAMDK-PUZFROQSSA-N 2 0 329.488 2.319 20 30 EEEDRP CN(c1ccccc1C=[NH+]N1CCC[C@@H]1CO)C1CC[NH+](C)CC1 ZINC000841661514 1187370463 /nfs/dbraw/zinc/37/04/63/1187370463.db2.gz IMCDCFLFHJRXTD-GOSISDBHSA-N 2 0 330.476 2.008 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001033683163 1195064049 /nfs/dbraw/zinc/06/40/49/1195064049.db2.gz FYFQIBBINVZCAP-IBGZPJMESA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033951221 1195552633 /nfs/dbraw/zinc/55/26/33/1195552633.db2.gz CNGVLKXVHHQYBS-FQEVSTJZSA-N 2 0 341.499 2.350 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990799 1195608350 /nfs/dbraw/zinc/60/83/50/1195608350.db2.gz XUVOZSYVYGLNFP-IBGZPJMESA-N 2 0 327.472 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001034047083 1195698634 /nfs/dbraw/zinc/69/86/34/1195698634.db2.gz YHABYDAHSQZONF-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398956 1196190111 /nfs/dbraw/zinc/19/01/11/1196190111.db2.gz PRVZYKYONIODRD-QFBILLFUSA-N 2 0 337.483 2.193 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132125593 1199331443 /nfs/dbraw/zinc/33/14/43/1199331443.db2.gz XDUXSMOWTAFVSI-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132142163 1199375184 /nfs/dbraw/zinc/37/51/84/1199375184.db2.gz YVUGPWNEGLECNI-IAGOWNOFSA-N 2 0 330.476 2.453 20 30 EEEDRP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001132269138 1199508756 /nfs/dbraw/zinc/50/87/56/1199508756.db2.gz FVUXIDFAXCRQRI-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747668 1200072062 /nfs/dbraw/zinc/07/20/62/1200072062.db2.gz WUZDRYZZBMUIMI-UHFFFAOYSA-N 2 0 329.488 2.463 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132870102 1200132654 /nfs/dbraw/zinc/13/26/54/1200132654.db2.gz QCFODEWGCFVAIE-ZBFHGGJFSA-N 2 0 333.501 2.131 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133065317 1200388324 /nfs/dbraw/zinc/38/83/24/1200388324.db2.gz XACCIJLJWZQARD-ZFWWWQNUSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213850 1200601069 /nfs/dbraw/zinc/60/10/69/1200601069.db2.gz SVLOQGMRQROCHW-PKOBYXMFSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133334025 1200757428 /nfs/dbraw/zinc/75/74/28/1200757428.db2.gz PXWILPRBHSZCMN-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001274974494 1205222954 /nfs/dbraw/zinc/22/29/54/1205222954.db2.gz MKQMUANTXZZTOC-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536007 1208610495 /nfs/dbraw/zinc/61/04/95/1208610495.db2.gz BZPXCAQWULTTSB-HOTGVXAUSA-N 2 0 339.443 2.426 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802369 1208723363 /nfs/dbraw/zinc/72/33/63/1208723363.db2.gz YJFCGBZDBLHTNR-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@H](C)C2)CC1 ZINC000948069987 1208853931 /nfs/dbraw/zinc/85/39/31/1208853931.db2.gz LYWHKQXFUUDGCR-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378270 1209101969 /nfs/dbraw/zinc/10/19/69/1209101969.db2.gz SQFDRHWLBRIIPT-SJORKVTESA-N 2 0 339.911 2.394 20 30 EEEDRP CCc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000303783203 1213905313 /nfs/dbraw/zinc/90/53/13/1213905313.db2.gz NZVBFRJUKKQODD-OALUTQOASA-N 3 0 345.535 2.240 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCC1 ZINC000303908960 1213924127 /nfs/dbraw/zinc/92/41/27/1213924127.db2.gz XZIZHZQZNXSUIM-HNNXBMFYSA-N 2 0 332.448 2.449 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)CC1 ZINC000957573292 1215222466 /nfs/dbraw/zinc/22/24/66/1215222466.db2.gz QBSRLJGHIAFGTG-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957596942 1215242952 /nfs/dbraw/zinc/24/29/52/1215242952.db2.gz KBQLCJZVLFNMFB-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289579 1217130534 /nfs/dbraw/zinc/13/05/34/1217130534.db2.gz BWENKXABGRAQPC-RBUKOAKNSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961373617 1217163145 /nfs/dbraw/zinc/16/31/45/1217163145.db2.gz IGPAJGARYSCTIF-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961377770 1217165294 /nfs/dbraw/zinc/16/52/94/1217165294.db2.gz ZOQXXDJZGJKJBZ-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327542 1217523053 /nfs/dbraw/zinc/52/30/53/1217523053.db2.gz DFCRTPXAZWONBE-HKUYNNGSSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384105 1217581091 /nfs/dbraw/zinc/58/10/91/1217581091.db2.gz QIBBAAJMLJJAML-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000965933151 1219373075 /nfs/dbraw/zinc/37/30/75/1219373075.db2.gz PUUQMLNTEPLJFH-UHFFFAOYSA-N 2 0 325.456 2.012 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016625929 1226700168 /nfs/dbraw/zinc/70/01/68/1226700168.db2.gz QAEHULCPEDAWRR-PKOBYXMFSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016863953 1226930343 /nfs/dbraw/zinc/93/03/43/1226930343.db2.gz XKMIPNUYECMUAD-INIZCTEOSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137775 1230351187 /nfs/dbraw/zinc/35/11/87/1230351187.db2.gz LBHXBNCMSIONMP-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001039396503 1230579861 /nfs/dbraw/zinc/57/98/61/1230579861.db2.gz TZARXNBOIXDHKY-ZACQAIPSSA-N 2 0 328.460 2.087 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257207 1231136531 /nfs/dbraw/zinc/13/65/31/1231136531.db2.gz CRJNGUKDYVEEDN-HXUWFJFHSA-N 2 0 343.515 2.200 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277255 1231148628 /nfs/dbraw/zinc/14/86/28/1231148628.db2.gz ZJOHMDYJAOLRKV-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360456 1231519364 /nfs/dbraw/zinc/51/93/64/1231519364.db2.gz YMEFYDPXCZALQJ-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726307 1231663715 /nfs/dbraw/zinc/66/37/15/1231663715.db2.gz VFWVJFGOJHCNSM-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042366965 1232048847 /nfs/dbraw/zinc/04/88/47/1232048847.db2.gz YPXKBFQOMXOUMO-QUCCMNQESA-N 2 0 339.483 2.308 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001045199862 1233576083 /nfs/dbraw/zinc/57/60/83/1233576083.db2.gz LJCJGVGSZFWWPA-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001045385461 1233711398 /nfs/dbraw/zinc/71/13/98/1233711398.db2.gz PRTKBOMDXFSQLJ-IBGZPJMESA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)CC1 ZINC001045895285 1234127181 /nfs/dbraw/zinc/12/71/81/1234127181.db2.gz DVJQMRDNSYVBMT-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046937291 1235327831 /nfs/dbraw/zinc/32/78/31/1235327831.db2.gz HRAYQICZMRRYBK-CABCVRRESA-N 2 0 329.435 2.119 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048539505 1237914127 /nfs/dbraw/zinc/91/41/27/1237914127.db2.gz PZHCZMUGAZDXHE-YRPNKDGESA-N 2 0 345.531 2.489 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003349 1239717073 /nfs/dbraw/zinc/71/70/73/1239717073.db2.gz JEZLHZVANSXCSD-NSHGMRRFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049519769 1241218975 /nfs/dbraw/zinc/21/89/75/1241218975.db2.gz AZFMTJKWCXTLST-VAMGGRTRSA-N 2 0 343.515 2.482 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049662914 1241807822 /nfs/dbraw/zinc/80/78/22/1241807822.db2.gz JRTKFOIZMWYTOM-IPMKNSEASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218645 1243842616 /nfs/dbraw/zinc/84/26/16/1243842616.db2.gz JMSGNEAXXZDDHM-YRXWBPOGSA-N 2 0 329.488 2.138 20 30 EEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859562 1244699296 /nfs/dbraw/zinc/69/92/96/1244699296.db2.gz SGONBRMHNYVZJU-QRVBRYPASA-N 2 0 327.472 2.312 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)CC2)CC1 ZINC001052952328 1245540640 /nfs/dbraw/zinc/54/06/40/1245540640.db2.gz CPTCXXXNZAVIEP-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)CC2)CC1 ZINC001052953782 1245545090 /nfs/dbraw/zinc/54/50/90/1245545090.db2.gz HYSMRLXVMPCDPQ-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)CC)CC2)CC1 ZINC001052954725 1245546946 /nfs/dbraw/zinc/54/69/46/1245546946.db2.gz QWCKIVOQBYTYHO-HKUYNNGSSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(=C)C)CC2)CC1 ZINC001052959259 1245557695 /nfs/dbraw/zinc/55/76/95/1245557695.db2.gz TTXBIDVRJZKRDM-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001101547502 1245950991 /nfs/dbraw/zinc/95/09/91/1245950991.db2.gz DBGTVUUSCJPRTQ-SFHVURJKSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001101548959 1245953957 /nfs/dbraw/zinc/95/39/57/1245953957.db2.gz SKAFACSGIWDROK-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001101570942 1245973537 /nfs/dbraw/zinc/97/35/37/1245973537.db2.gz AMBHJUPSOUZIDN-GOSISDBHSA-N 2 0 335.536 2.450 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395557 1247181029 /nfs/dbraw/zinc/18/10/29/1247181029.db2.gz ULZNETWPYMGZSF-OWCLPIDISA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650982 1247773420 /nfs/dbraw/zinc/77/34/20/1247773420.db2.gz BZTAAMGFWWUTTI-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054239725 1247833090 /nfs/dbraw/zinc/83/30/90/1247833090.db2.gz KQTMARIRGOTCHZ-NVXWUHKLSA-N 2 0 325.884 2.005 20 30 EEEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676517 1254496520 /nfs/dbraw/zinc/49/65/20/1254496520.db2.gz MNHIQVMYOLEEBI-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001073118316 1255701267 /nfs/dbraw/zinc/70/12/67/1255701267.db2.gz OENMMFCBHFPPHM-LJQANCHMSA-N 2 0 327.472 2.184 20 30 EEEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001100858313 1259354904 /nfs/dbraw/zinc/35/49/04/1259354904.db2.gz PGUKWVCVSWCADU-NKELODKYSA-N 2 0 327.472 2.187 20 30 EEEDRP C=CCC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001186156964 1278977346 /nfs/dbraw/zinc/97/73/46/1278977346.db2.gz SLCCFJJVSYKXPS-AZUAARDMSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001201037551 1287266364 /nfs/dbraw/zinc/26/63/64/1287266364.db2.gz LQUKNJGVGXWKPM-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445272 1281987547 /nfs/dbraw/zinc/98/75/47/1281987547.db2.gz LESHJNMJMYASDS-AQNXPRMDSA-N 2 0 341.499 2.441 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCCCC)C2)CC1 ZINC001194246896 1282955605 /nfs/dbraw/zinc/95/56/05/1282955605.db2.gz SMMYKQYEHPJRIC-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196221994 1283956410 /nfs/dbraw/zinc/95/64/10/1283956410.db2.gz DLVIOWIMYKJITD-IAGOWNOFSA-N 2 0 341.540 2.096 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198864509 1285377806 /nfs/dbraw/zinc/37/78/06/1285377806.db2.gz AVWJXASBNHLCQC-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557803 1296939290 /nfs/dbraw/zinc/93/92/90/1296939290.db2.gz DBKGMACLRHKLMJ-IEBWSBKVSA-N 2 0 329.488 2.174 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001073456064 1297085200 /nfs/dbraw/zinc/08/52/00/1297085200.db2.gz SUCBBCMYHOTACZ-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742933 1297473973 /nfs/dbraw/zinc/47/39/73/1297473973.db2.gz JFDMIKCSFFCNGE-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP N#Cc1c(NC(=O)[C@@H]2CCC3(C2)CC[NH2+]CC3)sc2c1CC[NH2+]C2 ZINC001218552110 1297709104 /nfs/dbraw/zinc/70/91/04/1297709104.db2.gz BXUGKLZGAQMRCO-GFCCVEGCSA-N 2 0 344.484 2.374 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936763 1299925985 /nfs/dbraw/zinc/92/59/85/1299925985.db2.gz OSTQZMJGYXDJDX-QYZOEREBSA-N 2 0 342.487 2.416 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200843 1300012615 /nfs/dbraw/zinc/01/26/15/1300012615.db2.gz TWVGHGVIYIYEKN-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102524460 1301181561 /nfs/dbraw/zinc/18/15/61/1301181561.db2.gz GINCWTUVZRETOX-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001228243240 1302171642 /nfs/dbraw/zinc/17/16/42/1302171642.db2.gz JILWGHGWFKNWDY-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086406 1302193285 /nfs/dbraw/zinc/19/32/85/1302193285.db2.gz AMKHPKCLQPXHMZ-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168465 1302374225 /nfs/dbraw/zinc/37/42/25/1302374225.db2.gz JWLXWCOLPWGSKW-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccnc1 ZINC001230835536 1303489875 /nfs/dbraw/zinc/48/98/75/1303489875.db2.gz KXBKXCNWIRKMQG-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232018156 1303973187 /nfs/dbraw/zinc/97/31/87/1303973187.db2.gz FYLWCTHGSOWUHN-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(C#N)ccn1 ZINC001232479767 1304142135 /nfs/dbraw/zinc/14/21/35/1304142135.db2.gz XGDIEDUZERBHIC-UHFFFAOYSA-N 2 0 331.508 2.439 20 30 EEEDRP C=CCCC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnco3)CC2)CC1 ZINC001277758836 1304356455 /nfs/dbraw/zinc/35/64/55/1304356455.db2.gz ZEMUKTJSBYKEBU-UHFFFAOYSA-N 2 0 347.463 2.151 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)COC[C@H](C)[NH+]2CCCC2)CCCCC1 ZINC001115735214 1305692987 /nfs/dbraw/zinc/69/29/87/1305692987.db2.gz RIILTFCFFSQUSN-KRWDZBQOSA-N 2 0 337.508 2.082 20 30 EEEDRP N#Cc1cc(-c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240361315 1309313520 /nfs/dbraw/zinc/31/35/20/1309313520.db2.gz WDAHPWVAUUELRU-OAQYLSRUSA-N 2 0 332.451 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423413 1309526166 /nfs/dbraw/zinc/52/61/66/1309526166.db2.gz UHGVFZPLOCBKAB-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001121616441 1310072175 /nfs/dbraw/zinc/07/21/75/1310072175.db2.gz KWGWBHCZNQVFKI-UFQJCFOOSA-N 2 0 331.504 2.149 20 30 EEEDRP C=CCCCCCC[C@@H](O)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246060959 1310228305 /nfs/dbraw/zinc/22/83/05/1310228305.db2.gz WDDDYWFQIVTCDB-RBUKOAKNSA-N 2 0 325.541 2.490 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2cccc(F)c2)CCN1 ZINC001246450827 1310315121 /nfs/dbraw/zinc/31/51/21/1310315121.db2.gz LZVYHXDJJUTIDN-FHWLQOOXSA-N 2 0 330.451 2.490 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149707038 1316020658 /nfs/dbraw/zinc/02/06/58/1316020658.db2.gz BUIQAFPJWROGTJ-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715807 1316352392 /nfs/dbraw/zinc/35/23/92/1316352392.db2.gz MNZMELBDQBTSJB-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001152323714 1316656974 /nfs/dbraw/zinc/65/69/74/1316656974.db2.gz CFLMTMABIZWLMS-UHFFFAOYSA-N 2 0 349.425 2.175 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001152474016 1316676854 /nfs/dbraw/zinc/67/68/54/1316676854.db2.gz YLFOEWQOLBYOPU-IBGZPJMESA-N 2 0 345.462 2.003 20 30 EEEDRP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153315057 1316810224 /nfs/dbraw/zinc/81/02/24/1316810224.db2.gz VYPVKOBFYLCFOD-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033787 1316940970 /nfs/dbraw/zinc/94/09/70/1316940970.db2.gz MWEMEMFJNRJZCC-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252474021 1317611588 /nfs/dbraw/zinc/61/15/88/1317611588.db2.gz UYUHDYFAODIISD-XUVXKRRUSA-N 2 0 330.472 2.004 20 30 EEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001156051277 1317852992 /nfs/dbraw/zinc/85/29/92/1317852992.db2.gz BMGGFKQTXROSLX-OAHLLOKOSA-N 2 0 327.432 2.284 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254964624 1318241297 /nfs/dbraw/zinc/24/12/97/1318241297.db2.gz RPMUDYOKQAOYRT-QZTJIDSGSA-N 2 0 331.504 2.036 20 30 EEEDRP CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109986 1318416360 /nfs/dbraw/zinc/41/63/60/1318416360.db2.gz WZVPXIMMFHEZCE-OAHLLOKOSA-N 2 0 348.466 2.364 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255684262 1318515472 /nfs/dbraw/zinc/51/54/72/1318515472.db2.gz WFMMWYXXPQIGJC-WCRBZPEASA-N 2 0 346.563 2.293 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001157886646 1318916868 /nfs/dbraw/zinc/91/68/68/1318916868.db2.gz JTYFCGPQFJDILE-IBGZPJMESA-N 2 0 345.462 2.146 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001157887036 1318917826 /nfs/dbraw/zinc/91/78/26/1318917826.db2.gz PUPQBTKPGLJBAT-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC(C)C)CC2)CC1 ZINC001161946992 1320689324 /nfs/dbraw/zinc/68/93/24/1320689324.db2.gz PXSQBFSPOYBXSI-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001162831765 1320970182 /nfs/dbraw/zinc/97/01/82/1320970182.db2.gz DYSLQHSSIALKJI-UHFFFAOYSA-N 2 0 341.499 2.155 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162841499 1320972311 /nfs/dbraw/zinc/97/23/11/1320972311.db2.gz VERWLSXRBZSLGY-LJQANCHMSA-N 2 0 329.488 2.011 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1cnc(Cl)cc1C#N ZINC001163128148 1321044494 /nfs/dbraw/zinc/04/44/94/1321044494.db2.gz ASYAWZILSKNONY-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165314116 1321499232 /nfs/dbraw/zinc/49/92/32/1321499232.db2.gz GJDTVXDFJDBCHA-AWEZNQCLSA-N 2 0 333.879 2.295 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C12CCC2 ZINC001203348488 1321867797 /nfs/dbraw/zinc/86/77/97/1321867797.db2.gz DPHKHPRAEZNING-MSOLQXFVSA-N 2 0 340.471 2.027 20 30 EEEDRP O=C(Cc1ncc[nH]1)N[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203539891 1321908087 /nfs/dbraw/zinc/90/80/87/1321908087.db2.gz RMQAQSNYUFXIGL-ZWKOTPCHSA-N 2 0 348.450 2.021 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284298 1322341940 /nfs/dbraw/zinc/34/19/40/1322341940.db2.gz LIPMOHXLHVUSSA-SJORKVTESA-N 2 0 339.911 2.442 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210811103 1325445209 /nfs/dbraw/zinc/44/52/09/1325445209.db2.gz JAKNFJJLSNJYQW-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001492101684 1330470164 /nfs/dbraw/zinc/47/01/64/1330470164.db2.gz JENRKBSFYCSSOU-KRWDZBQOSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001340111642 1337123806 /nfs/dbraw/zinc/12/38/06/1337123806.db2.gz GNSISWAFRAATIC-QGZVFWFLSA-N 2 0 330.476 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001100619718 1338556841 /nfs/dbraw/zinc/55/68/41/1338556841.db2.gz DUOVMUDIOTYGOF-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001100651923 1338599926 /nfs/dbraw/zinc/59/99/26/1338599926.db2.gz PVSGHHNVZZOWQK-SOAGJPPSSA-N 2 0 341.499 2.109 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001588631634 1348923983 /nfs/dbraw/zinc/92/39/83/1348923983.db2.gz JTCUCEVYLBZIAI-QGZVFWFLSA-N 2 0 341.463 2.103 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523209 1367756729 /nfs/dbraw/zinc/75/67/29/1367756729.db2.gz YZTAUPCMGJSPGK-VQIMIIECSA-N 2 0 342.487 2.368 20 30 EEEDRP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001389350777 1388065960 /nfs/dbraw/zinc/06/59/60/1388065960.db2.gz GYWDLYCIVMFULC-IBGZPJMESA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098571213 1370984048 /nfs/dbraw/zinc/98/40/48/1370984048.db2.gz OCFACLTWTFFDAW-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001366631276 1373979984 /nfs/dbraw/zinc/97/99/84/1373979984.db2.gz NHJKGXDUXPHCKS-GOSISDBHSA-N 2 0 330.476 2.083 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001375895887 1378119049 /nfs/dbraw/zinc/11/90/49/1378119049.db2.gz KATCPJBFWFSGPX-HXUWFJFHSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001378893663 1380243477 /nfs/dbraw/zinc/24/34/77/1380243477.db2.gz COANXJOPRSNMJD-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680497 1381336457 /nfs/dbraw/zinc/33/64/57/1381336457.db2.gz YQMQDDQYYGUZGE-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001381532941 1381640223 /nfs/dbraw/zinc/64/02/23/1381640223.db2.gz OFAXQCLWLPZGDK-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001752606587 1406320269 /nfs/dbraw/zinc/32/02/69/1406320269.db2.gz PZCSEQASZNQRFD-KRWDZBQOSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001752805644 1406424591 /nfs/dbraw/zinc/42/45/91/1406424591.db2.gz UYWOUHZQGQSVPG-GOSISDBHSA-N 2 0 341.499 2.256 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001393605366 1390489534 /nfs/dbraw/zinc/48/95/34/1390489534.db2.gz WPNPEOZCKYGOQC-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001394533107 1390723505 /nfs/dbraw/zinc/72/35/05/1390723505.db2.gz GSMDDJMVNUELLN-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001397612802 1391370412 /nfs/dbraw/zinc/37/04/12/1391370412.db2.gz WAWYGFXOTLUNDU-UWWQBHOKSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001754456586 1406912489 /nfs/dbraw/zinc/91/24/89/1406912489.db2.gz PQHFQOXZDIOKLP-SFHVURJKSA-N 2 0 339.443 2.332 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001425914290 1401800387 /nfs/dbraw/zinc/80/03/87/1401800387.db2.gz LWUJNSJALGRZCT-KGLIPLIRSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC001574517329 1403521961 /nfs/dbraw/zinc/52/19/61/1403521961.db2.gz MHOAHHHQCXPLMO-QUCCMNQESA-N 2 0 325.456 2.085 20 30 EEEDRP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001723649081 1405769860 /nfs/dbraw/zinc/76/98/60/1405769860.db2.gz GGCAJTOTFVGDNU-IBGZPJMESA-N 2 0 333.520 2.299 20 30 EEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001755533102 1407600193 /nfs/dbraw/zinc/60/01/93/1407600193.db2.gz JDYHJMJXIOIUQG-LJQANCHMSA-N 2 0 337.483 2.145 20 30 EEEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001755573112 1407644651 /nfs/dbraw/zinc/64/46/51/1407644651.db2.gz MTDXWZBBCBCZIT-LJQANCHMSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166045 1410877588 /nfs/dbraw/zinc/87/75/88/1410877588.db2.gz BGQHEVGYNKISBD-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537002 1411034298 /nfs/dbraw/zinc/03/42/98/1411034298.db2.gz RNQWCHZHLSQCCD-MSOLQXFVSA-N 2 0 331.504 2.293 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211620641 761164658 /nfs/dbraw/zinc/16/46/58/761164658.db2.gz YDJRZKPVSVBAGH-ZCNNSNEGSA-N 2 0 341.499 2.180 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087310597 761583618 /nfs/dbraw/zinc/58/36/18/761583618.db2.gz ZQNAWRUSBVXFOG-HOJAQTOUSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167700668 761877768 /nfs/dbraw/zinc/87/77/68/761877768.db2.gz SELINZNINFMBMW-HXUWFJFHSA-N 2 0 341.499 2.363 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982740 782690376 /nfs/dbraw/zinc/69/03/76/782690376.db2.gz WEMLGNYPRYZYSF-ZBFHGGJFSA-N 2 0 333.501 2.390 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)[C@H](C)C2)CC1 ZINC000948070325 773435214 /nfs/dbraw/zinc/43/52/14/773435214.db2.gz ONFIZXFIZREFMD-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089869544 783131030 /nfs/dbraw/zinc/13/10/30/783131030.db2.gz LWLVDOBCAVZYKP-OKYOBFRVSA-N 2 0 331.504 2.073 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220490 774112067 /nfs/dbraw/zinc/11/20/67/774112067.db2.gz ZUMVMTWUPMDDBL-BBWFWOEESA-N 2 0 340.471 2.001 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC000980479531 774705179 /nfs/dbraw/zinc/70/51/79/774705179.db2.gz XHRORRVBWRVSCB-HXUWFJFHSA-N 2 0 343.515 2.365 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971557 775434633 /nfs/dbraw/zinc/43/46/33/775434633.db2.gz HJRMQPNZWOBLEO-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089819377 776799225 /nfs/dbraw/zinc/79/92/25/776799225.db2.gz GOUBWXSPBGUXCC-FJIDUMEYSA-N 2 0 331.504 2.216 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997649019 790541494 /nfs/dbraw/zinc/54/14/94/790541494.db2.gz NDVCBNSYRRKISZ-HNNXBMFYSA-N 2 0 338.455 2.496 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472912 778500478 /nfs/dbraw/zinc/50/04/78/778500478.db2.gz PNWGOTWWPFYVES-NRSPTQNISA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982012703 778864132 /nfs/dbraw/zinc/86/41/32/778864132.db2.gz DYEHGJRLXLKASF-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280102 779520033 /nfs/dbraw/zinc/52/00/33/779520033.db2.gz UOSJWQZCWOHXPK-BWPNAZKDSA-N 2 0 331.504 2.217 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+](C)C ZINC001135372220 783662441 /nfs/dbraw/zinc/66/24/41/783662441.db2.gz OVVHDGVODRMXBC-UONOGXRCSA-N 2 0 334.439 2.022 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135390632 783712046 /nfs/dbraw/zinc/71/20/46/783712046.db2.gz LUXXCPONAMMBBH-JKSUJKDBSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976048 784925084 /nfs/dbraw/zinc/92/50/84/784925084.db2.gz GHRZJQAOGVXYNT-OLZOCXBDSA-N 2 0 334.302 2.110 20 30 EEEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001036298745 786169147 /nfs/dbraw/zinc/16/91/47/786169147.db2.gz PEGMUGCBXIEJNU-PBHICJAKSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424408 787198263 /nfs/dbraw/zinc/19/82/63/787198263.db2.gz MNXUOHCTNIDIEL-ZHALLVOQSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCCNc1cc(C2(C#N)CC2)ccn1 ZINC001171071298 788354500 /nfs/dbraw/zinc/35/45/00/788354500.db2.gz WNURJHWPBXPCLA-HNNXBMFYSA-N 2 0 328.416 2.275 20 30 EEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997124674 789000508 /nfs/dbraw/zinc/00/05/08/789000508.db2.gz IAXUICKIJVUGID-VQIMIIECSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)CN1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001006000222 789226413 /nfs/dbraw/zinc/22/64/13/789226413.db2.gz FKMPRONDQOCKQL-UHFFFAOYSA-N 2 0 327.900 2.394 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(C#N)cn1 ZINC001144163788 789294347 /nfs/dbraw/zinc/29/43/47/789294347.db2.gz VWOWEDUHWJFTDX-UHFFFAOYSA-N 2 0 331.508 2.439 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013351 793506525 /nfs/dbraw/zinc/50/65/25/793506525.db2.gz ODVDYXYPDSMXPY-LSTHTHJFSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311463 793631706 /nfs/dbraw/zinc/63/17/06/793631706.db2.gz AFOGVCDSDQTBOH-FPOVZHCZSA-N 2 0 339.483 2.498 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079310751 794600907 /nfs/dbraw/zinc/60/09/07/794600907.db2.gz HZGYBIZPBRUXTL-VDZJLULYSA-N 2 0 345.462 2.380 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573764 794671903 /nfs/dbraw/zinc/67/19/03/794671903.db2.gz JTYARYXRJVOSOJ-JKSUJKDBSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093381095 795120741 /nfs/dbraw/zinc/12/07/41/795120741.db2.gz GOJCLIYYKHQTAC-YLJYHZDGSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106666962 796074011 /nfs/dbraw/zinc/07/40/11/796074011.db2.gz BOJAZFXQOPKGQJ-VQIMIIECSA-N 2 0 329.488 2.274 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564318 806590042 /nfs/dbraw/zinc/59/00/42/806590042.db2.gz OEWAWGCRKJJXNL-JXFKEZNVSA-N 2 0 340.471 2.003 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175057234 797965710 /nfs/dbraw/zinc/96/57/10/797965710.db2.gz XJAVFXLZDZVKGI-CYBMUJFWSA-N 2 0 334.302 2.111 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471080 798050876 /nfs/dbraw/zinc/05/08/76/798050876.db2.gz AKNDASOJFVAUCR-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346753 798161295 /nfs/dbraw/zinc/16/12/95/798161295.db2.gz ZNZNPLTUBSWNMH-QWFCFKBJSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176157171 798373423 /nfs/dbraw/zinc/37/34/23/798373423.db2.gz NTLPQCSTHUNDGI-IAGOWNOFSA-N 2 0 327.513 2.184 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958108 798577418 /nfs/dbraw/zinc/57/74/18/798577418.db2.gz LTZOKCZZCMVWMY-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176844221 798587338 /nfs/dbraw/zinc/58/73/38/798587338.db2.gz GOAOUAPFFBZLEU-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803287 798624425 /nfs/dbraw/zinc/62/44/25/798624425.db2.gz UPCVVBQYAOVPCF-GOEBONIOSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC001016335109 798671351 /nfs/dbraw/zinc/67/13/51/798671351.db2.gz AQVFXEOEXNIICZ-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001179435462 799920224 /nfs/dbraw/zinc/92/02/24/799920224.db2.gz QQGVVBIVJXSQDU-LPHOPBHVSA-N 2 0 345.462 2.098 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179585276 800017915 /nfs/dbraw/zinc/01/79/15/800017915.db2.gz GECPISNMBFGRFO-SFHVURJKSA-N 2 0 325.472 2.098 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180357573 800376526 /nfs/dbraw/zinc/37/65/26/800376526.db2.gz WLPZNGITVIRUKK-UHFFFAOYSA-N 2 0 339.524 2.331 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516133 801221037 /nfs/dbraw/zinc/22/10/37/801221037.db2.gz BEVKVIKPLQDZFE-FRFSOERESA-N 2 0 329.916 2.399 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC)C2)CC1 ZINC001183495904 801627947 /nfs/dbraw/zinc/62/79/47/801627947.db2.gz BREZGDCIPUHXOV-WAOWUJCRSA-N 2 0 347.547 2.452 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001183575656 801656254 /nfs/dbraw/zinc/65/62/54/801656254.db2.gz DABBPBXHCIUAKK-MOPGFXCFSA-N 2 0 327.472 2.275 20 30 EEEDRP N#CC1(c2ccccc2)CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001170367095 809908917 /nfs/dbraw/zinc/90/89/17/809908917.db2.gz FHFZZXYMLHNBFA-UHFFFAOYSA-N 2 0 326.488 2.357 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130431327 811632246 /nfs/dbraw/zinc/63/22/46/811632246.db2.gz VGKNJBLPNOXLDU-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CC)C1 ZINC001130438025 811668120 /nfs/dbraw/zinc/66/81/20/811668120.db2.gz IXDMLURPBQNOIU-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001131453874 812854077 /nfs/dbraw/zinc/85/40/77/812854077.db2.gz BPIUWRFNGFRFGQ-QYZOEREBSA-N 2 0 349.519 2.033 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001436922671 1088582633 /nfs/dbraw/zinc/58/26/33/1088582633.db2.gz CCZXWDRUFYHRFM-QAQDUYKDSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323960 1089488067 /nfs/dbraw/zinc/48/80/67/1089488067.db2.gz DXTAURZSMRETAI-MOPGFXCFSA-N 2 0 342.487 2.417 20 30 EEEDRP C[NH+](C)C1(C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)CCC1 ZINC001440326847 1093469355 /nfs/dbraw/zinc/46/93/55/1093469355.db2.gz ZJVDYZBAVCMBFL-UHFFFAOYSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001449069902 1094084750 /nfs/dbraw/zinc/08/47/50/1094084750.db2.gz YWPOXFKRKCCZLG-HOTGVXAUSA-N 2 0 327.900 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001449069909 1094085093 /nfs/dbraw/zinc/08/50/93/1094085093.db2.gz YWPOXFKRKCCZLG-JKSUJKDBSA-N 2 0 327.900 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001444819237 1099751750 /nfs/dbraw/zinc/75/17/50/1099751750.db2.gz CGERCXYYDKXLPE-XJKSGUPXSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506935753 1114986181 /nfs/dbraw/zinc/98/61/81/1114986181.db2.gz MEFYZVHNNDBMPW-QUCCMNQESA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000491809147 246163626 /nfs/dbraw/zinc/16/36/26/246163626.db2.gz WZDCDKWYUVKNSM-QZTJIDSGSA-N 2 0 341.499 2.394 20 30 EEEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000156614016 206088225 /nfs/dbraw/zinc/08/82/25/206088225.db2.gz ZFYJATIMTSPMJH-FQEVSTJZSA-N 2 0 343.471 2.168 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000491808537 533101735 /nfs/dbraw/zinc/10/17/35/533101735.db2.gz WFDGCRNGZWWLKD-MOPGFXCFSA-N 2 0 348.535 2.238 20 30 EEEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191419247 533313672 /nfs/dbraw/zinc/31/36/72/533313672.db2.gz MGRGJSPQTWTDHD-UHFFFAOYSA-N 2 0 332.492 2.467 20 30 EEEDRP N#Cc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C(N)=O)cc1 ZINC000115600042 152033029 /nfs/dbraw/zinc/03/30/29/152033029.db2.gz ZKEKKJNGEIZZDR-GOSISDBHSA-N 2 0 328.460 2.330 20 30 EEEDRP C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000119969121 462948046 /nfs/dbraw/zinc/94/80/46/462948046.db2.gz ULEYGNXSKIVSBN-UHFFFAOYSA-N 2 0 334.464 2.209 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000134122965 463005907 /nfs/dbraw/zinc/00/59/07/463005907.db2.gz NXROKUIOQQJOLU-DOTOQJQBSA-N 2 0 330.476 2.392 20 30 EEEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH+](C)CC1 ZINC000161790167 463457748 /nfs/dbraw/zinc/45/77/48/463457748.db2.gz YTYRZPCJKSZBPU-HNNXBMFYSA-N 2 0 327.476 2.242 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911808 463741221 /nfs/dbraw/zinc/74/12/21/463741221.db2.gz VDQDPKDRDAFXDE-IBGZPJMESA-N 3 0 343.519 2.171 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803804 463866363 /nfs/dbraw/zinc/86/63/63/463866363.db2.gz SAUHLQPFXHCOFG-GOEBONIOSA-N 2 0 349.910 2.035 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171722554 463913365 /nfs/dbraw/zinc/91/33/65/463913365.db2.gz LTTWQWFRDIRESE-UHFFFAOYSA-N 2 0 330.476 2.068 20 30 EEEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCc2ccccc21 ZINC000262452229 464027320 /nfs/dbraw/zinc/02/73/20/464027320.db2.gz WEJIWDBXNHZUDH-UHFFFAOYSA-N 2 0 342.487 2.270 20 30 EEEDRP C[NH+]=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC000262757324 464043863 /nfs/dbraw/zinc/04/38/63/464043863.db2.gz HTBDMJJGIMKOPF-CQSZACIVSA-N 2 0 328.382 2.417 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(F)ccc12 ZINC000264095044 464282488 /nfs/dbraw/zinc/28/24/88/464282488.db2.gz LVHNWYYBMTWZNH-OAHLLOKOSA-N 2 0 331.439 2.238 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000276658943 465018184 /nfs/dbraw/zinc/01/81/84/465018184.db2.gz PYZWDGSOLJZNBR-UHFFFAOYSA-N 2 0 348.491 2.230 20 30 EEEDRP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919338 468433520 /nfs/dbraw/zinc/43/35/20/468433520.db2.gz UHTRZCZWCIBMSW-SFHVURJKSA-N 2 0 328.460 2.012 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658428 465462984 /nfs/dbraw/zinc/46/29/84/465462984.db2.gz HLAJFIPZFXGMHL-PKOBYXMFSA-N 2 0 348.535 2.469 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)C(C)C ZINC000343444306 465517303 /nfs/dbraw/zinc/51/73/03/465517303.db2.gz NESUZOCCWIAOCQ-GOSISDBHSA-N 2 0 334.508 2.246 20 30 EEEDRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330598412 465723588 /nfs/dbraw/zinc/72/35/88/465723588.db2.gz FIDBYGBIRVVEIY-AWEZNQCLSA-N 2 0 338.496 2.011 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000424130724 466986218 /nfs/dbraw/zinc/98/62/18/466986218.db2.gz HQVZMOXKMOXXCJ-RBUKOAKNSA-N 2 0 342.487 2.207 20 30 EEEDRP C=CCN(CCc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140396 467297584 /nfs/dbraw/zinc/29/75/84/467297584.db2.gz HBJDSMNZRMZZJJ-UHFFFAOYSA-N 2 0 329.488 2.447 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000458311455 467807339 /nfs/dbraw/zinc/80/73/39/467807339.db2.gz AIMSLVHRXUDDAO-MRXNPFEDSA-N 2 0 334.508 2.153 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488846370 468108419 /nfs/dbraw/zinc/10/84/19/468108419.db2.gz STKLYJYRDFTCKD-ZHALLVOQSA-N 2 0 348.535 2.399 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600721427 468633833 /nfs/dbraw/zinc/63/38/33/468633833.db2.gz MGGXJLUHPCDAGK-SJLPKXTDSA-N 2 0 331.460 2.008 20 30 EEEDRP Cc1ccc(C#N)nc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000596098775 469153068 /nfs/dbraw/zinc/15/30/68/469153068.db2.gz VHASQKRLPFXGEU-UHFFFAOYSA-N 2 0 336.443 2.281 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000995225069 782132326 /nfs/dbraw/zinc/13/23/26/782132326.db2.gz BXVPIBRRJPDSGS-AZUAARDMSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000113319819 527104611 /nfs/dbraw/zinc/10/46/11/527104611.db2.gz DDSFHPQDLCUMGB-HXUWFJFHSA-N 2 0 329.488 2.060 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000763946986 577728377 /nfs/dbraw/zinc/72/83/77/577728377.db2.gz ZLYOTSVISZIZQP-KRWDZBQOSA-N 2 0 331.460 2.066 20 30 EEEDRP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949429909 676260969 /nfs/dbraw/zinc/26/09/69/676260969.db2.gz IKLPOOQGONTJFZ-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202292 676727672 /nfs/dbraw/zinc/72/76/72/676727672.db2.gz WACRICNLQUENNY-IJEWVQPXSA-N 2 0 325.884 2.383 20 30 EEEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCSCC1 ZINC000261983704 676891897 /nfs/dbraw/zinc/89/18/97/676891897.db2.gz JEKRNILUIFCHHH-AWEZNQCLSA-N 2 0 338.546 2.324 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825242 /nfs/dbraw/zinc/82/52/42/679825242.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 0 346.500 2.041 20 30 EEEDRP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262757947 679551910 /nfs/dbraw/zinc/55/19/10/679551910.db2.gz DZZYRMQRYACUMC-LNLFQRSKSA-N 2 0 336.524 2.063 20 30 EEEDRP C[N@H+]1CC=C(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000263170819 679565599 /nfs/dbraw/zinc/56/55/99/679565599.db2.gz RMRYNWBPHDDJFX-UHFFFAOYSA-N 2 0 347.894 2.039 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642169 681950508 /nfs/dbraw/zinc/95/05/08/681950508.db2.gz QQQNIIZMYGSNHH-IZZBFERCSA-N 2 0 343.515 2.197 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261944819 682527409 /nfs/dbraw/zinc/52/74/09/682527409.db2.gz FLUBHFLLVUZADX-QFBILLFUSA-N 2 0 336.524 2.185 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451519 682785962 /nfs/dbraw/zinc/78/59/62/682785962.db2.gz HRHSLUNXAUAINL-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC000992815386 683516501 /nfs/dbraw/zinc/51/65/01/683516501.db2.gz MGFGZYPTOPXXMZ-YESZJQIVSA-N 2 0 339.911 2.297 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]12 ZINC001026427692 684632588 /nfs/dbraw/zinc/63/25/88/684632588.db2.gz SAXNFEQHDOCHDN-CEXWTWQISA-N 2 0 327.472 2.374 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000985656758 687409381 /nfs/dbraw/zinc/40/93/81/687409381.db2.gz NKNWFMWKDPIWMM-IBGZPJMESA-N 2 0 342.487 2.321 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986355134 688504734 /nfs/dbraw/zinc/50/47/34/688504734.db2.gz LJLIESNALCALIZ-BEFAXECRSA-N 2 0 340.471 2.122 20 30 EEEDRP C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262803323 688515216 /nfs/dbraw/zinc/51/52/16/688515216.db2.gz RRZPHAWPKIXHQR-KRWDZBQOSA-N 2 0 336.524 2.065 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989663842 692148301 /nfs/dbraw/zinc/14/83/01/692148301.db2.gz CAOVQTXWEXKFLI-YOEHRIQHSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C[C@H]2C)CC1 ZINC000989828561 692371253 /nfs/dbraw/zinc/37/12/53/692371253.db2.gz FRHIIRHTCSTBFB-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001027600782 693418735 /nfs/dbraw/zinc/41/87/35/693418735.db2.gz MBYUUYUGEXNOSE-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000120316920 693445535 /nfs/dbraw/zinc/44/55/35/693445535.db2.gz GMAMOMBHQIVLQA-KURKYZTESA-N 2 0 341.499 2.392 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752524696 1181927640 /nfs/dbraw/zinc/92/76/40/1181927640.db2.gz HAARGXAYLKZHSS-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001423449564 1187031545 /nfs/dbraw/zinc/03/15/45/1187031545.db2.gz JNLDZPJHBUVFBQ-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)CCC1 ZINC001105574843 1188188895 /nfs/dbraw/zinc/18/88/95/1188188895.db2.gz JUEHDOYZNGSKGH-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991064324 1189766411 /nfs/dbraw/zinc/76/64/11/1189766411.db2.gz CWHRBDQDJTYSEF-CMKODMSKSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809025 1194416648 /nfs/dbraw/zinc/41/66/48/1194416648.db2.gz WRYXDBBLXVBFKD-SLFFLAALSA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139585 1195813106 /nfs/dbraw/zinc/81/31/06/1195813106.db2.gz UUMIJYGZLUMCMX-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001134750292 1199790922 /nfs/dbraw/zinc/79/09/22/1199790922.db2.gz STXWYIYRYHEWBN-CQSZACIVSA-N 2 0 334.489 2.090 20 30 EEEDRP C[C@H](C#N)OCC[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)CCO[C@@H](C)C#N)CC1 ZINC000886389632 1202500164 /nfs/dbraw/zinc/50/01/64/1202500164.db2.gz RLGUJXJLXXOZHL-VPLLLXJESA-N 2 0 336.480 2.019 20 30 EEEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001275368754 1205323402 /nfs/dbraw/zinc/32/34/02/1205323402.db2.gz ZWUOOKJTMMMUPB-OALUTQOASA-N 2 0 337.471 2.250 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948078889 1208859835 /nfs/dbraw/zinc/85/98/35/1208859835.db2.gz PTNDTVRSFTTZRT-CVEARBPZSA-N 2 0 331.460 2.337 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)[NH+]1CCCC1)CCO2 ZINC000949153658 1209556010 /nfs/dbraw/zinc/55/60/10/1209556010.db2.gz DTKHFXOYJJGDRA-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001017265800 1212448264 /nfs/dbraw/zinc/44/82/64/1212448264.db2.gz CXTWEUZTSPZABI-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303774046 1213903468 /nfs/dbraw/zinc/90/34/68/1213903468.db2.gz FTBKUIKFGWPCLN-MSOLQXFVSA-N 3 0 337.556 2.276 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])NCC3CCC3)CC2)c1 ZINC000303874957 1213917455 /nfs/dbraw/zinc/91/74/55/1213917455.db2.gz DIZWIWBQGPJNKN-UHFFFAOYSA-N 2 0 343.519 2.212 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000957633806 1215278631 /nfs/dbraw/zinc/27/86/31/1215278631.db2.gz PIYNVGIAXFTQML-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000960301586 1216482080 /nfs/dbraw/zinc/48/20/80/1216482080.db2.gz XQDNBKMRHHESCK-MISYRCLQSA-N 2 0 339.483 2.113 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC000961024324 1217011960 /nfs/dbraw/zinc/01/19/60/1217011960.db2.gz CAQRBTGVLFFLTK-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327842 1221212489 /nfs/dbraw/zinc/21/24/89/1221212489.db2.gz TUNCRHOKCMDHTB-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894231 1222488505 /nfs/dbraw/zinc/48/85/05/1222488505.db2.gz HIWDLQHHPJVGOT-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016682760 1226772278 /nfs/dbraw/zinc/77/22/78/1226772278.db2.gz RALOSQAATIWYRR-QGZVFWFLSA-N 2 0 331.504 2.409 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001019151368 1228803485 /nfs/dbraw/zinc/80/34/85/1228803485.db2.gz WONGFZJAMQOZIY-SFHVURJKSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140404 1230355450 /nfs/dbraw/zinc/35/54/50/1230355450.db2.gz FYWPEXLULNCHTJ-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141023 1230356713 /nfs/dbraw/zinc/35/67/13/1230356713.db2.gz NFKSZJNTCMOBRZ-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384695 1230569213 /nfs/dbraw/zinc/56/92/13/1230569213.db2.gz JXLFHWSYPCYMKA-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040746242 1231355992 /nfs/dbraw/zinc/35/59/92/1231355992.db2.gz XOTUJIDMLFLBPH-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041584655 1231609010 /nfs/dbraw/zinc/60/90/10/1231609010.db2.gz BWRHIPAQUSAAAI-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063461 1231861977 /nfs/dbraw/zinc/86/19/77/1231861977.db2.gz XGUKLRRIHVNXQW-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123438 1231903774 /nfs/dbraw/zinc/90/37/74/1231903774.db2.gz SEOICNJRJCAKOW-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123538 1231904581 /nfs/dbraw/zinc/90/45/81/1231904581.db2.gz SQXYLOIBLKSIOM-LPHOPBHVSA-N 2 0 336.439 2.202 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045200864 1233576982 /nfs/dbraw/zinc/57/69/82/1233576982.db2.gz SPCQQNQEMQFCLB-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045944182 1234204257 /nfs/dbraw/zinc/20/42/57/1234204257.db2.gz ZHHDOKNRBKTTRE-IBGZPJMESA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960200 1234234229 /nfs/dbraw/zinc/23/42/29/1234234229.db2.gz GFQUTRJVDIEQIH-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC001047246950 1235743197 /nfs/dbraw/zinc/74/31/97/1235743197.db2.gz CKVDLMYQBYLMQI-IBGZPJMESA-N 2 0 342.487 2.247 20 30 EEEDRP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056843 1237033012 /nfs/dbraw/zinc/03/30/12/1237033012.db2.gz BGJHCPKCMJAPOA-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001048480717 1237743348 /nfs/dbraw/zinc/74/33/48/1237743348.db2.gz VKPAJGVJEQXMPK-PXNSSMCTSA-N 2 0 345.531 2.206 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048817893 1238730599 /nfs/dbraw/zinc/73/05/99/1238730599.db2.gz ZCMPTRVAIUBUSH-XHSDSOJGSA-N 2 0 325.884 2.002 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC001000202029 1240057196 /nfs/dbraw/zinc/05/71/96/1240057196.db2.gz JLJMRXGJAWFPFL-UHFFFAOYSA-N 2 0 336.439 2.332 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166373 1240166805 /nfs/dbraw/zinc/16/68/05/1240166805.db2.gz ZLBJIZSAOQRVMC-LVCYWYKZSA-N 2 0 341.499 2.430 20 30 EEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000997829 1241412591 /nfs/dbraw/zinc/41/25/91/1241412591.db2.gz GKMOLLFQWFYINR-UHFFFAOYSA-N 2 0 327.472 2.339 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566176 1241440358 /nfs/dbraw/zinc/44/03/58/1241440358.db2.gz GYJZHYPOPLTCCZ-OTWHNJEPSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677640 1241850318 /nfs/dbraw/zinc/85/03/18/1241850318.db2.gz VNVBBIJEDITEGK-DLBZAZTESA-N 2 0 329.444 2.043 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913148 1242672366 /nfs/dbraw/zinc/67/23/66/1242672366.db2.gz BQEWPQFASDACSP-OTWHNJEPSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050520080 1243774585 /nfs/dbraw/zinc/77/45/85/1243774585.db2.gz CXFODQAXOHCZDW-INIZCTEOSA-N 2 0 337.895 2.005 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050553805 1243835856 /nfs/dbraw/zinc/83/58/56/1243835856.db2.gz LKUZUOLWUNAAID-HNNXBMFYSA-N 2 0 327.900 2.250 20 30 EEEDRP C#CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@H+]3C)cccc2C1 ZINC001051293322 1245492121 /nfs/dbraw/zinc/49/21/21/1245492121.db2.gz QOJJPEIZTMHZGV-FQEVSTJZSA-N 2 0 339.483 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)CC1 ZINC001052953753 1245544528 /nfs/dbraw/zinc/54/45/28/1245544528.db2.gz HEKMYRCKXCXTFI-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257091 1245580565 /nfs/dbraw/zinc/58/05/65/1245580565.db2.gz GQTQRHFLCOXDOB-AOIWGVFYSA-N 2 0 339.499 2.413 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050048 1245768404 /nfs/dbraw/zinc/76/84/04/1245768404.db2.gz BKEZMHQPZDNVKJ-OALUTQOASA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001101550708 1245955838 /nfs/dbraw/zinc/95/58/38/1245955838.db2.gz WBBGCXSIWJNGMS-RTBURBONSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001101556007 1245960426 /nfs/dbraw/zinc/96/04/26/1245960426.db2.gz UQTTYEMHXPPBKR-UHFFFAOYSA-N 2 0 338.455 2.436 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001101590161 1245996749 /nfs/dbraw/zinc/99/67/49/1245996749.db2.gz BSAXMAUXHFAIDA-UHFFFAOYSA-N 2 0 342.487 2.249 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597508 1258245785 /nfs/dbraw/zinc/24/57/85/1258245785.db2.gz XETJRXNWYOUBIS-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100764854 1259232441 /nfs/dbraw/zinc/23/24/41/1259232441.db2.gz IMNGZNIZAIICLU-UHFFFAOYSA-N 2 0 339.524 2.186 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185411730 1278642095 /nfs/dbraw/zinc/64/20/95/1278642095.db2.gz LNTXLXLSVQADBS-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001185468190 1278653768 /nfs/dbraw/zinc/65/37/68/1278653768.db2.gz AKQBCALSNYZQPN-QFBILLFUSA-N 2 0 333.520 2.369 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCCO1 ZINC001200873005 1287216394 /nfs/dbraw/zinc/21/63/94/1287216394.db2.gz DJMBNLVBOIHKOV-QGZVFWFLSA-N 2 0 342.443 2.040 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]cn1)[NH2+]Cc1cccc(C#N)c1 ZINC001134545432 1278002451 /nfs/dbraw/zinc/00/24/51/1278002451.db2.gz OTWBZJQZEFFSNO-CABCVRRESA-N 2 0 339.443 2.287 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1c[nH]cn1 ZINC001134545438 1278002517 /nfs/dbraw/zinc/00/25/17/1278002517.db2.gz OTWBZJQZEFFSNO-LSDHHAIUSA-N 2 0 339.443 2.287 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186604981 1279174564 /nfs/dbraw/zinc/17/45/64/1279174564.db2.gz JXJNMOGGTVDHSO-GOSISDBHSA-N 2 0 333.520 2.302 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001191019166 1281177840 /nfs/dbraw/zinc/17/78/40/1281177840.db2.gz KDEFEAYPEJANJM-SFHVURJKSA-N 2 0 342.487 2.321 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192960520 1282246431 /nfs/dbraw/zinc/24/64/31/1282246431.db2.gz QOHRZAVJKQVIGW-LJQANCHMSA-N 2 0 345.462 2.052 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001193600894 1282629734 /nfs/dbraw/zinc/62/97/34/1282629734.db2.gz OGSMTDUJLBBOFT-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)CC1 ZINC001194246703 1282955358 /nfs/dbraw/zinc/95/53/58/1282955358.db2.gz QIWNXLQGEKAJIA-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC001197886442 1284868479 /nfs/dbraw/zinc/86/84/79/1284868479.db2.gz VVAODDCDPVTYQG-UHFFFAOYSA-N 2 0 348.516 2.386 20 30 EEEDRP C=CCCC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886032 1285413008 /nfs/dbraw/zinc/41/30/08/1285413008.db2.gz XFCBCUOMCFTATR-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1OC ZINC001198969209 1285450573 /nfs/dbraw/zinc/45/05/73/1285450573.db2.gz SOSKVGDAAOASAM-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(=C)C)C2)CC1 ZINC001072095418 1295236407 /nfs/dbraw/zinc/23/64/07/1295236407.db2.gz HXTFNCGUMIEWOY-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001211307257 1295810781 /nfs/dbraw/zinc/81/07/81/1295810781.db2.gz PYFLPJODHWXGQL-ZIFCJYIRSA-N 2 0 331.504 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001216837768 1297310276 /nfs/dbraw/zinc/31/02/76/1297310276.db2.gz QQJHJBZFBGYURE-NLWGTHIKSA-N 2 0 347.547 2.450 20 30 EEEDRP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001218448930 1297667713 /nfs/dbraw/zinc/66/77/13/1297667713.db2.gz UEFOCOANRVJPJF-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059298 1300219826 /nfs/dbraw/zinc/21/98/26/1300219826.db2.gz JZRAIAQXELJEAP-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001223686395 1300224944 /nfs/dbraw/zinc/22/49/44/1300224944.db2.gz BWTKAIWXAWCPDF-UHFFFAOYSA-N 2 0 330.476 2.312 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102496184 1301147741 /nfs/dbraw/zinc/14/77/41/1301147741.db2.gz IGAKFGMJXBJMRK-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001228660651 1302365837 /nfs/dbraw/zinc/36/58/37/1302365837.db2.gz GWDXRFRYVPDDAG-QRVBRYPASA-N 2 0 342.487 2.415 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271355 1302622264 /nfs/dbraw/zinc/62/22/64/1302622264.db2.gz KHYXJNHQNJGMFL-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230619425 1303328921 /nfs/dbraw/zinc/32/89/21/1303328921.db2.gz YSJBPZAYNWJKFZ-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000799346905 1305234344 /nfs/dbraw/zinc/23/43/44/1305234344.db2.gz TVPPOIUMRNDSTM-INIZCTEOSA-N 2 0 330.476 2.093 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001121289606 1309969854 /nfs/dbraw/zinc/96/98/54/1309969854.db2.gz ZLRUJJJPFPSDMD-NQPFRDSSSA-N 2 0 329.488 2.044 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246306350 1310276394 /nfs/dbraw/zinc/27/63/94/1310276394.db2.gz WHBXXLPDFASISX-SJORKVTESA-N 2 0 327.513 2.313 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626080 1316320460 /nfs/dbraw/zinc/32/04/60/1316320460.db2.gz SPHXZSRLCHAKHB-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCCC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001253246972 1317806694 /nfs/dbraw/zinc/80/66/94/1317806694.db2.gz DYUUTIUAJDTORP-GOSISDBHSA-N 2 0 325.541 2.490 20 30 EEEDRP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158780625 1319433123 /nfs/dbraw/zinc/43/31/23/1319433123.db2.gz BEHSONUTKSVIBA-GOSISDBHSA-N 2 0 339.524 2.234 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492098 1320175275 /nfs/dbraw/zinc/17/52/75/1320175275.db2.gz MGAAWDJRGRJSAX-UHFFFAOYSA-N 2 0 329.488 2.024 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621873 1320561389 /nfs/dbraw/zinc/56/13/89/1320561389.db2.gz CHMPSBMGBPAYAR-UHFFFAOYSA-N 2 0 331.504 2.269 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001161862941 1320652013 /nfs/dbraw/zinc/65/20/13/1320652013.db2.gz FXEWIKTXPORGQG-UHFFFAOYSA-N 2 0 332.407 2.096 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC001161947107 1320689409 /nfs/dbraw/zinc/68/94/09/1320689409.db2.gz YFQBRARGSMQOTP-QGZVFWFLSA-N 2 0 349.494 2.218 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952706 1320692216 /nfs/dbraw/zinc/69/22/16/1320692216.db2.gz JQFDIVZKPGVTNT-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297584 1321090475 /nfs/dbraw/zinc/09/04/75/1321090475.db2.gz QIGRLQNQCKRXNN-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F)[NH+]1CCCC1 ZINC001163832770 1321228845 /nfs/dbraw/zinc/22/88/45/1321228845.db2.gz HNTXMSISDGYFQR-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001165465024 1321530253 /nfs/dbraw/zinc/53/02/53/1321530253.db2.gz QNISMFGGNSPOAZ-GOSISDBHSA-N 2 0 349.519 2.082 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F)[NH+](CC)CC ZINC001166433137 1321719157 /nfs/dbraw/zinc/71/91/57/1321719157.db2.gz ZXNJLMQJZCMDBV-SFHVURJKSA-N 2 0 348.466 2.414 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556993 1321911999 /nfs/dbraw/zinc/91/19/99/1321911999.db2.gz MPWAMLQWRFRPDC-QZTJIDSGSA-N 2 0 331.504 2.147 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)Cc2ccccc2)C12CCC2 ZINC001203813286 1321965443 /nfs/dbraw/zinc/96/54/43/1321965443.db2.gz CASIOQZPANLYNX-MOPGFXCFSA-N 2 0 339.483 2.159 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)C12CCC2 ZINC001203813290 1321965525 /nfs/dbraw/zinc/96/55/25/1321965525.db2.gz CASIOQZPANLYNX-RBUKOAKNSA-N 2 0 339.483 2.159 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203822803 1321968405 /nfs/dbraw/zinc/96/84/05/1321968405.db2.gz AUTVOPJXQTXPSQ-MSOLQXFVSA-N 2 0 331.504 2.293 20 30 EEEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cc2)c1 ZINC001205682300 1323243412 /nfs/dbraw/zinc/24/34/12/1323243412.db2.gz RRFOOXKFKCYLMJ-HXUWFJFHSA-N 2 0 336.439 2.296 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001209447060 1324934093 /nfs/dbraw/zinc/93/40/93/1324934093.db2.gz WPQGLMGFARRORV-QGZVFWFLSA-N 2 0 347.890 2.224 20 30 EEEDRP C#CC[C@@]1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574525021 1343680026 /nfs/dbraw/zinc/68/00/26/1343680026.db2.gz BSKOIBSCLKSKDC-FQEVSTJZSA-N 2 0 325.456 2.407 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCCC[NH2+]3)CC2)c1 ZINC001647255717 1353208536 /nfs/dbraw/zinc/20/85/36/1353208536.db2.gz CWWVPPSPSQWHTI-LJQANCHMSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1F ZINC001647585401 1353336449 /nfs/dbraw/zinc/33/64/49/1353336449.db2.gz KGIMVCKPOHGKDE-MRXNPFEDSA-N 2 0 346.450 2.185 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000838586913 1372853397 /nfs/dbraw/zinc/85/33/97/1372853397.db2.gz JEFJFCPINWBBNU-IEBWSBKVSA-N 2 0 344.503 2.241 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001357572678 1373216841 /nfs/dbraw/zinc/21/68/41/1373216841.db2.gz JRXILPVHCPXHMV-RTBURBONSA-N 2 0 345.487 2.077 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001365952750 1373782810 /nfs/dbraw/zinc/78/28/10/1373782810.db2.gz JWNPWLMVXIRUNQ-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001366221946 1373845051 /nfs/dbraw/zinc/84/50/51/1373845051.db2.gz UROMJTFYHQJIPD-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001370519337 1374972492 /nfs/dbraw/zinc/97/24/92/1374972492.db2.gz PFFXXBGFBHZOAE-IYARVYRRSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001375101973 1377370831 /nfs/dbraw/zinc/37/08/31/1377370831.db2.gz KTDHEIILOVBMME-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001375632103 1377901051 /nfs/dbraw/zinc/90/10/51/1377901051.db2.gz LEHMMOISYBCWRT-UHFFFAOYSA-N 2 0 327.900 2.395 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001377706937 1379463834 /nfs/dbraw/zinc/46/38/34/1379463834.db2.gz OTQOKLPJZYFWHP-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001378611856 1380104458 /nfs/dbraw/zinc/10/44/58/1380104458.db2.gz KBQVJDWQUVBCLF-KBXCAEBGSA-N 2 0 348.466 2.125 20 30 EEEDRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390665246 1388723347 /nfs/dbraw/zinc/72/33/47/1388723347.db2.gz OYMJJAUCNIZQJI-AWEZNQCLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001390698706 1388737053 /nfs/dbraw/zinc/73/70/53/1388737053.db2.gz IWXKAWDAYBNYSQ-KBXCAEBGSA-N 2 0 348.466 2.268 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001392195096 1389886297 /nfs/dbraw/zinc/88/62/97/1389886297.db2.gz ZGWLYSDUMFDZRN-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001394141941 1390632406 /nfs/dbraw/zinc/63/24/06/1390632406.db2.gz PZZJRKBNEPMNKB-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(C#N)s2)CC1 ZINC001394394213 1390684602 /nfs/dbraw/zinc/68/46/02/1390684602.db2.gz FUFCJLIENPSEDV-UHFFFAOYSA-N 2 0 348.516 2.384 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001753874983 1406776828 /nfs/dbraw/zinc/77/68/28/1406776828.db2.gz CXOAYORWHKXADS-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001401257390 1397092601 /nfs/dbraw/zinc/09/26/01/1397092601.db2.gz OYZALDSPKVSKOR-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001401504739 1397413744 /nfs/dbraw/zinc/41/37/44/1397413744.db2.gz VUIYEOOAYODOHK-LSDHHAIUSA-N 2 0 325.884 2.242 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001402070198 1397746816 /nfs/dbraw/zinc/74/68/16/1397746816.db2.gz JIRBITOVVMAJBF-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(C)CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001755344358 1407343155 /nfs/dbraw/zinc/34/31/55/1407343155.db2.gz VKVDPLCYGFVHLD-SFHVURJKSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001755573111 1407644857 /nfs/dbraw/zinc/64/48/57/1407644857.db2.gz MTDXWZBBCBCZIT-IBGZPJMESA-N 2 0 327.472 2.212 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001755655572 1407707697 /nfs/dbraw/zinc/70/76/97/1407707697.db2.gz XSJVXYCHKUZQLR-XLIONFOSSA-N 2 0 339.483 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCC)[C@@H]3C2)CC1 ZINC001755713002 1407767243 /nfs/dbraw/zinc/76/72/43/1407767243.db2.gz SPSXNVDKGSQXBI-ZCNNSNEGSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001755828015 1407878099 /nfs/dbraw/zinc/87/80/99/1407878099.db2.gz YLVXSORIJQOUFU-KRWDZBQOSA-N 2 0 339.443 2.025 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCC3CCC3)C2)CC1 ZINC001755865547 1407916944 /nfs/dbraw/zinc/91/69/44/1407916944.db2.gz IMLLHTNWHCOAGK-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+]CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691889227 1410397163 /nfs/dbraw/zinc/39/71/63/1410397163.db2.gz UXTMGZAAKHMQLW-UHFFFAOYSA-N 2 0 339.483 2.114 20 30 EEEDRP C=CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001075390935 757892513 /nfs/dbraw/zinc/89/25/13/757892513.db2.gz RAZPJPNDXHZZPS-HKUYNNGSSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203203650 759715061 /nfs/dbraw/zinc/71/50/61/759715061.db2.gz QWHITKVHYJOSDN-IAGOWNOFSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458274 760844531 /nfs/dbraw/zinc/84/45/31/760844531.db2.gz AGZNUPGCZKEMAF-OALUTQOASA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445848 769294190 /nfs/dbraw/zinc/29/41/90/769294190.db2.gz NBKPDJLZGOONMN-QZTJIDSGSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479061 769671506 /nfs/dbraw/zinc/67/15/06/769671506.db2.gz XKIOZYPIAVKXMQ-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211666442 769941191 /nfs/dbraw/zinc/94/11/91/769941191.db2.gz BSTCYEFWLMLEDU-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001131696862 783093623 /nfs/dbraw/zinc/09/36/23/783093623.db2.gz BZSWMGQYXLWTHG-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089638422 773643893 /nfs/dbraw/zinc/64/38/93/773643893.db2.gz BRZMOPDRNULBPN-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886663 774010397 /nfs/dbraw/zinc/01/03/97/774010397.db2.gz VQFJAJJUUDTOOD-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660530 774043528 /nfs/dbraw/zinc/04/35/28/774043528.db2.gz KRMCIHYUVNQRGN-SJORKVTESA-N 2 0 342.487 2.076 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980221684 774114578 /nfs/dbraw/zinc/11/45/78/774114578.db2.gz RVXIAKFKQUPFIN-ZCNNSNEGSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251722 774191543 /nfs/dbraw/zinc/19/15/43/774191543.db2.gz GCUIFWIAONSPQL-HSALFYBXSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC000980477198 774701126 /nfs/dbraw/zinc/70/11/26/774701126.db2.gz CMKVNXYZCUTCBZ-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238865 776920603 /nfs/dbraw/zinc/92/06/03/776920603.db2.gz KXVHNKAYOLTBMP-ROUUACIJSA-N 2 0 327.472 2.055 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238860 776920725 /nfs/dbraw/zinc/92/07/25/776920725.db2.gz KXVHNKAYOLTBMP-MSOLQXFVSA-N 2 0 327.472 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275241 779478272 /nfs/dbraw/zinc/47/82/72/779478272.db2.gz DWELTQXEEYBQQY-RLLQIKCJSA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088857975 790815255 /nfs/dbraw/zinc/81/52/55/790815255.db2.gz LDMVXQSAPGMIQS-MDZRGWNJSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172712 781888471 /nfs/dbraw/zinc/88/84/71/781888471.db2.gz MDGGLBBGMHIWGG-GDBMZVCRSA-N 2 0 339.911 2.442 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001135308278 783569414 /nfs/dbraw/zinc/56/94/14/783569414.db2.gz QQUOOUSUVKRCOR-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+](C)C ZINC001135371724 783659903 /nfs/dbraw/zinc/65/99/03/783659903.db2.gz IHGPQKXRDPVVAZ-UONOGXRCSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035193316 784082591 /nfs/dbraw/zinc/08/25/91/784082591.db2.gz YIMSSDLEPWHKCN-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170843064 784253169 /nfs/dbraw/zinc/25/31/69/784253169.db2.gz YTCUFQBTNXJEGX-QGZVFWFLSA-N 2 0 349.523 2.289 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135743986 784352269 /nfs/dbraw/zinc/35/22/69/784352269.db2.gz SPEQWUKKAKGLJF-SJORKVTESA-N 2 0 347.478 2.392 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858093 784640973 /nfs/dbraw/zinc/64/09/73/784640973.db2.gz SJTZAOIZMOOYRQ-ROUUACIJSA-N 2 0 329.488 2.253 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000995919490 785817990 /nfs/dbraw/zinc/81/79/90/785817990.db2.gz CPAKXHHKZOPDQX-RBUKOAKNSA-N 2 0 343.515 2.411 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1)[NH+](C)C ZINC000996313932 786253933 /nfs/dbraw/zinc/25/39/33/786253933.db2.gz GRHBDRYSMDMGEP-ZWKOTPCHSA-N 2 0 342.487 2.225 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996508539 786469522 /nfs/dbraw/zinc/46/95/22/786469522.db2.gz VHTDBGONAZPDEG-FXAWDEMLSA-N 2 0 329.488 2.476 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001107473085 787340323 /nfs/dbraw/zinc/34/03/23/787340323.db2.gz ZOQQDPVBZOHRGC-NVXWUHKLSA-N 2 0 336.867 2.305 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859476 788823996 /nfs/dbraw/zinc/82/39/96/788823996.db2.gz WQBMCTFVZBAZFQ-VNTMZGSJSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132890 789055388 /nfs/dbraw/zinc/05/53/88/789055388.db2.gz QYGFBUHPCXQWDN-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000997188616 789387982 /nfs/dbraw/zinc/38/79/82/789387982.db2.gz SXFPCTSXOOYIBK-NVXWUHKLSA-N 2 0 330.476 2.238 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000923389342 789485343 /nfs/dbraw/zinc/48/53/43/789485343.db2.gz PATRWRHCOXIAAN-NJAFHUGGSA-N 2 0 348.487 2.223 20 30 EEEDRP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611816 792559866 /nfs/dbraw/zinc/55/98/66/792559866.db2.gz OTTIMFVXRAIPKU-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992297653 793563622 /nfs/dbraw/zinc/56/36/22/793563622.db2.gz JQWOHYJMAUPVAG-QWFCFKBJSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079159308 794429453 /nfs/dbraw/zinc/42/94/53/794429453.db2.gz VTDCNYXDIDOVIN-OTWHNJEPSA-N 2 0 345.462 2.073 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C/C=C\Cl)CC3)CC1 ZINC000992510257 794455302 /nfs/dbraw/zinc/45/53/02/794455302.db2.gz PFIWIZYAONJPNG-VOQXOGPISA-N 2 0 349.906 2.197 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079187501 794467107 /nfs/dbraw/zinc/46/71/07/794467107.db2.gz JRUPGYADLLUDPU-RBUKOAKNSA-N 2 0 345.462 2.380 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001079310750 794600814 /nfs/dbraw/zinc/60/08/14/794600814.db2.gz HZGYBIZPBRUXTL-HHXXYDBFSA-N 2 0 345.462 2.380 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858721 795507761 /nfs/dbraw/zinc/50/77/61/795507761.db2.gz DBQVBSKZJHOZHJ-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867590 795610939 /nfs/dbraw/zinc/61/09/39/795610939.db2.gz XEIGPIGHNLBPLJ-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334149 795744076 /nfs/dbraw/zinc/74/40/76/795744076.db2.gz DSXXMDATJPIKTG-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496545 796289359 /nfs/dbraw/zinc/28/93/59/796289359.db2.gz ALJXMXDZOYTLJB-QWFCFKBJSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902500 796440761 /nfs/dbraw/zinc/44/07/61/796440761.db2.gz LLWYTPJILQQRMG-UXHICEINSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905709 796450285 /nfs/dbraw/zinc/45/02/85/796450285.db2.gz OBZBLDDDRAJNEB-SJLPKXTDSA-N 2 0 343.471 2.291 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001171757677 796721891 /nfs/dbraw/zinc/72/18/91/796721891.db2.gz MRCCACJDXWXIFS-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820008 797025581 /nfs/dbraw/zinc/02/55/81/797025581.db2.gz TZXIUDURYBXSLR-RTBURBONSA-N 2 0 343.515 2.149 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001112560789 806586871 /nfs/dbraw/zinc/58/68/71/806586871.db2.gz PKLGQJZSRZGRIR-ZVDOUQERSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782689 797693815 /nfs/dbraw/zinc/69/38/15/797693815.db2.gz LIWRIRAZCJRSBP-BMFZPTHFSA-N 2 0 327.900 2.438 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001175056737 797964907 /nfs/dbraw/zinc/96/49/07/797964907.db2.gz OYVIXPSDTNMMMB-QGZVFWFLSA-N 2 0 347.478 2.394 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176843799 798599430 /nfs/dbraw/zinc/59/94/30/798599430.db2.gz BCGGWIVNKRMKPM-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176846009 798618505 /nfs/dbraw/zinc/61/85/05/798618505.db2.gz XDPPDYDPUROZEF-GASCZTMLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585717 806695593 /nfs/dbraw/zinc/69/55/93/806695593.db2.gz NTRICJXIGWLDDP-ZVDOUQERSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150817880 799580569 /nfs/dbraw/zinc/58/05/69/799580569.db2.gz IMPBBWANQKCQLS-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)CCC=C)[C@@H]2C)CC1 ZINC001180204595 800308489 /nfs/dbraw/zinc/30/84/89/800308489.db2.gz UZINNZXJZQWLEB-LNLFQRSKSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586765 801483545 /nfs/dbraw/zinc/48/35/45/801483545.db2.gz VTPRMCOFDFIMED-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCC(=C)C)C2)CC1 ZINC001183495881 801627758 /nfs/dbraw/zinc/62/77/58/801627758.db2.gz AUKVWDJQXHWMNL-WIYYLYMNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C2)CC1 ZINC001183497208 801629745 /nfs/dbraw/zinc/62/97/45/801629745.db2.gz XRMFESCXKMABRD-WIYYLYMNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001085986649 801839913 /nfs/dbraw/zinc/83/99/13/801839913.db2.gz KBCNGRUVGOCPIF-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549285 802352301 /nfs/dbraw/zinc/35/23/01/802352301.db2.gz XDSIBZYDUCJLBW-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253420 802615130 /nfs/dbraw/zinc/61/51/30/802615130.db2.gz GAQABJVSTLVGHZ-WCVJEAGWSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082502 802955064 /nfs/dbraw/zinc/95/50/64/802955064.db2.gz COMJAPMCJMVINJ-ROUUACIJSA-N 2 0 339.524 2.016 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108732799 804418280 /nfs/dbraw/zinc/41/82/80/804418280.db2.gz CQRSEEHLVXLBIY-LNLFQRSKSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001108799402 804523634 /nfs/dbraw/zinc/52/36/34/804523634.db2.gz OFFXNRAAGBYIHW-JYJNAYRXSA-N 2 0 328.460 2.306 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001129842514 811005448 /nfs/dbraw/zinc/00/54/48/811005448.db2.gz ZIAQNZSHCQUEBO-QGZVFWFLSA-N 2 0 347.890 2.272 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437261727 1089405705 /nfs/dbraw/zinc/40/57/05/1089405705.db2.gz LUPKJNJROXPNBQ-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323973 1089488155 /nfs/dbraw/zinc/48/81/55/1089488155.db2.gz DXTAURZSMRETAI-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001437404518 1089679393 /nfs/dbraw/zinc/67/93/93/1089679393.db2.gz RGTLRSHUCSVJCK-RDTXWAMCSA-N 2 0 348.466 2.268 20 30 EEEDRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001438368776 1090845566 /nfs/dbraw/zinc/84/55/66/1090845566.db2.gz CEMGQZSERHRKOX-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC001442726525 1097100586 /nfs/dbraw/zinc/10/05/86/1097100586.db2.gz WZNSIIIOHJCPDI-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480379963 1100169397 /nfs/dbraw/zinc/16/93/97/1100169397.db2.gz NYSATULWVPSJHE-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001480794028 1107127680 /nfs/dbraw/zinc/12/76/80/1107127680.db2.gz USHYCVYRUFUMHK-MRXNPFEDSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166467 781924184 /nfs/dbraw/zinc/92/41/84/781924184.db2.gz VSTXGSRJRCCZEQ-RBSFLKMASA-N 2 0 347.425 2.273 20 30 EEEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266786375 201220642 /nfs/dbraw/zinc/22/06/42/201220642.db2.gz YWEOVIARQQZHRU-SFHVURJKSA-N 2 0 349.519 2.152 20 30 EEEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000095948318 463112407 /nfs/dbraw/zinc/11/24/07/463112407.db2.gz KYVDRPDOJVXFKS-IYBDPMFKSA-N 2 0 332.492 2.452 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000123102875 463317343 /nfs/dbraw/zinc/31/73/43/463317343.db2.gz PPDVDZWPQNGVGP-UHFFFAOYSA-N 2 0 334.508 2.383 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491327845 468351197 /nfs/dbraw/zinc/35/11/97/468351197.db2.gz YGWWIMSYPMMYLY-PKOBYXMFSA-N 2 0 342.487 2.076 20 30 EEEDRP C#CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000104679189 463419053 /nfs/dbraw/zinc/41/90/53/463419053.db2.gz HUWKWDXUPAIJBE-UHFFFAOYSA-N 2 0 343.446 2.004 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261976751 463916665 /nfs/dbraw/zinc/91/66/65/463916665.db2.gz NWTPJIUYRKNAPQ-HNNXBMFYSA-N 2 0 340.475 2.036 20 30 EEEDRP C[NH+]=C(NCC1(c2cccc(F)c2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262612846 464035031 /nfs/dbraw/zinc/03/50/31/464035031.db2.gz BAFBTLLMUKHOIN-SFHVURJKSA-N 2 0 342.462 2.379 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(N(C)CCC#N)cc1)CC[NH+](C)C ZINC000290095575 464107395 /nfs/dbraw/zinc/10/73/95/464107395.db2.gz HIZFLUSZDDMFLY-UHFFFAOYSA-N 2 0 345.535 2.352 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290753901 464130264 /nfs/dbraw/zinc/13/02/64/464130264.db2.gz YNPGCVBYSPOXNG-SJLPKXTDSA-N 2 0 332.492 2.228 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(c2ccccc2)CC1 ZINC000279957158 464170924 /nfs/dbraw/zinc/17/09/24/464170924.db2.gz IJIGFUNSOVKZAE-LJQANCHMSA-N 2 0 343.519 2.292 20 30 EEEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C[C@@H](C)O1 ZINC000264059038 464277043 /nfs/dbraw/zinc/27/70/43/464277043.db2.gz CDLLDRFNOHESBF-HUUCEWRRSA-N 2 0 332.492 2.499 20 30 EEEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(CC)CC2)c1 ZINC000264074675 464279981 /nfs/dbraw/zinc/27/99/81/464279981.db2.gz FHXFKWZNZOCMDZ-INIZCTEOSA-N 2 0 331.508 2.249 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264136510 464286605 /nfs/dbraw/zinc/28/66/05/464286605.db2.gz ZVWRQTOTOMRYGB-AEFFLSMTSA-N 2 0 331.508 2.068 20 30 EEEDRP C=CCNC(=[NH2+])NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000264136833 464287376 /nfs/dbraw/zinc/28/73/76/464287376.db2.gz ZZJYDOAOINUYCA-UHFFFAOYSA-N 2 0 334.464 2.006 20 30 EEEDRP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000281591149 464515276 /nfs/dbraw/zinc/51/52/76/464515276.db2.gz FBCIKYATVFTFAR-UHFFFAOYSA-N 2 0 342.487 2.215 20 30 EEEDRP CCCNC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267406331 464930887 /nfs/dbraw/zinc/93/08/87/464930887.db2.gz XQESYDHZPZYIJO-UHFFFAOYSA-N 2 0 332.492 2.372 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000359218223 465387992 /nfs/dbraw/zinc/38/79/92/465387992.db2.gz DFJUPZCAVJOZQY-SJLPKXTDSA-N 2 0 334.508 2.221 20 30 EEEDRP C=CCc1cc(C[NH2+]CC2(COC)CC[NH2+]CC2)cc(OC)c1O ZINC000414979396 467458976 /nfs/dbraw/zinc/45/89/76/467458976.db2.gz UWEKWEZURSIBRR-UHFFFAOYSA-N 2 0 334.460 2.235 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000578603007 468223796 /nfs/dbraw/zinc/22/37/96/468223796.db2.gz BWQQQSQARMUKHG-UHFFFAOYSA-N 2 0 340.471 2.390 20 30 EEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000592470854 468705960 /nfs/dbraw/zinc/70/59/60/468705960.db2.gz MXXDTZRMUAFJQY-MTNOOBJLSA-N 2 0 338.455 2.031 20 30 EEEDRP C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611564136 469280339 /nfs/dbraw/zinc/28/03/39/469280339.db2.gz NGOBTFDOPDCZBB-HKUYNNGSSA-N 2 0 326.488 2.475 20 30 EEEDRP C=CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000658117346 471267630 /nfs/dbraw/zinc/26/76/30/471267630.db2.gz UNGPAAMRKGJIGP-HNNXBMFYSA-N 2 0 339.505 2.143 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000669385663 471471592 /nfs/dbraw/zinc/47/15/92/471471592.db2.gz NXAPNOCYYHSPNZ-OKZBNKHCSA-N 2 0 334.508 2.078 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106331562 526590046 /nfs/dbraw/zinc/59/00/46/526590046.db2.gz UCCBBKOWPGGVKE-SJORKVTESA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000764840540 577489250 /nfs/dbraw/zinc/48/92/50/577489250.db2.gz OISWZUMZXOXDLG-KRWDZBQOSA-N 2 0 329.488 2.375 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC000970792276 676154281 /nfs/dbraw/zinc/15/42/81/676154281.db2.gz HTZBBVRMNVPAKO-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C)c3)C2)CC1 ZINC000970792531 676154373 /nfs/dbraw/zinc/15/43/73/676154373.db2.gz NAEGBELBWGDHGH-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159699 675763973 /nfs/dbraw/zinc/76/39/73/675763973.db2.gz WHUDMAZIXHXRFW-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970327014 675790482 /nfs/dbraw/zinc/79/04/82/675790482.db2.gz YNYBSMHKGUCXRM-LPHOPBHVSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021636396 676291348 /nfs/dbraw/zinc/29/13/48/676291348.db2.gz QFAVFGYTSIGQMN-QFBILLFUSA-N 2 0 336.439 2.284 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001022809901 678586053 /nfs/dbraw/zinc/58/60/53/678586053.db2.gz YJAGMIINCNKDOR-GASCZTMLSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371448 679277645 /nfs/dbraw/zinc/27/76/45/679277645.db2.gz ZZHBKFYCXLGAKZ-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588693 679397883 /nfs/dbraw/zinc/39/78/83/679397883.db2.gz ITLMKGWNDDIOHW-SFHVURJKSA-N 2 0 329.488 2.419 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024477117 679950170 /nfs/dbraw/zinc/95/01/70/679950170.db2.gz JCNSGKVBPMHFPI-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652648 681318264 /nfs/dbraw/zinc/31/82/64/681318264.db2.gz RRHSWETYMSGNBR-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514792 682943471 /nfs/dbraw/zinc/94/34/71/682943471.db2.gz FWTDYUMTHFUGDW-CVEARBPZSA-N 2 0 331.460 2.195 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001026360157 684433751 /nfs/dbraw/zinc/43/37/51/684433751.db2.gz IWLQLYUZUZAOLH-XUVXKRRUSA-N 2 0 341.499 2.417 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001026427693 684632743 /nfs/dbraw/zinc/63/27/43/684632743.db2.gz SAXNFEQHDOCHDN-GBESFXJTSA-N 2 0 327.472 2.374 20 30 EEEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262237151 684636326 /nfs/dbraw/zinc/63/63/26/684636326.db2.gz HKOPJTBWRLQHRU-GOSISDBHSA-N 2 0 330.476 2.259 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987292896 689572542 /nfs/dbraw/zinc/57/25/42/689572542.db2.gz NAPGGOMEPASYGL-GDBMZVCRSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C[C@H]2C)CC1 ZINC000989829351 692355875 /nfs/dbraw/zinc/35/58/75/692355875.db2.gz RTYKDOHHLYUFKP-CRAIPNDOSA-N 2 0 345.512 2.172 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C[C@H]2C)CC1 ZINC000989828562 692371517 /nfs/dbraw/zinc/37/15/17/692371517.db2.gz FRHIIRHTCSTBFB-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000977659810 692889724 /nfs/dbraw/zinc/88/97/24/692889724.db2.gz YETWJJYPAOSMPU-WMZOPIPTSA-N 2 0 333.520 2.204 20 30 EEEDRP N#CCCCN1CC[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272716593 1191977327 /nfs/dbraw/zinc/97/73/27/1191977327.db2.gz IMUPWPIHDGTGCG-IBGZPJMESA-N 2 0 332.492 2.091 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cccc(C#N)c1 ZINC001480979244 1179416086 /nfs/dbraw/zinc/41/60/86/1179416086.db2.gz BLCBJQQGMNDQOO-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268405137 1182515859 /nfs/dbraw/zinc/51/58/59/1182515859.db2.gz QIJUDQNJHCGBQX-YJBOKZPZSA-N 2 0 333.451 2.002 20 30 EEEDRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001482532648 1186536142 /nfs/dbraw/zinc/53/61/42/1186536142.db2.gz HJOCLFAZEXJFON-IBGZPJMESA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381418 1186747743 /nfs/dbraw/zinc/74/77/43/1186747743.db2.gz DNJSCTDUUPSDIG-VQIMIIECSA-N 2 0 337.483 2.193 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001105439003 1187121418 /nfs/dbraw/zinc/12/14/18/1187121418.db2.gz VNEQBKVGSAKUOX-RBAQFSTRSA-N 2 0 341.499 2.176 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105575045 1188189103 /nfs/dbraw/zinc/18/91/03/1188189103.db2.gz PTUUXIFYYNIXEW-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]32)CC1 ZINC001076604922 1189036239 /nfs/dbraw/zinc/03/62/39/1189036239.db2.gz YJYVBRCRLCDMNY-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273038615 1194343829 /nfs/dbraw/zinc/34/38/29/1194343829.db2.gz HAUUMBINRVZBPN-IBGZPJMESA-N 2 0 332.492 2.089 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417279 1194540000 /nfs/dbraw/zinc/54/00/00/1194540000.db2.gz VVAUXJCSRFGKHU-CRAIPNDOSA-N 2 0 325.472 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC3CC3)C2)CC1 ZINC001034538857 1196362521 /nfs/dbraw/zinc/36/25/21/1196362521.db2.gz SRGMIFJIVZQKQL-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406641 1199664618 /nfs/dbraw/zinc/66/46/18/1199664618.db2.gz LYNMQKKEVCPBMI-IRXDYDNUSA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583423 1199672500 /nfs/dbraw/zinc/67/25/00/1199672500.db2.gz KFRNNIGADKFQSI-JKSUJKDBSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607090 1199698456 /nfs/dbraw/zinc/69/84/56/1199698456.db2.gz DBRNGRRTVYDPGB-ROUUACIJSA-N 2 0 341.499 2.395 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133332864 1200755340 /nfs/dbraw/zinc/75/53/40/1200755340.db2.gz ACUCCGSMWJTCEV-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)cc1 ZINC001275132612 1205264571 /nfs/dbraw/zinc/26/45/71/1205264571.db2.gz YQACOIFURHJQQI-UHFFFAOYSA-N 2 0 339.483 2.044 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001275296297 1205302145 /nfs/dbraw/zinc/30/21/45/1205302145.db2.gz ZAWNVAXLSXLEHH-UHFFFAOYSA-N 2 0 336.443 2.164 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947537140 1208610718 /nfs/dbraw/zinc/61/07/18/1208610718.db2.gz LMZQQXVGOZNHOT-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642301 1209268727 /nfs/dbraw/zinc/26/87/27/1209268727.db2.gz FRWZRFYTMTXRAB-IBGZPJMESA-N 2 0 341.499 2.350 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CCO2 ZINC000949204350 1209576160 /nfs/dbraw/zinc/57/61/60/1209576160.db2.gz DGHHAZHPFWRUFX-GOSISDBHSA-N 2 0 349.519 2.129 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])NCC(C)C)CC2)c1 ZINC000303871198 1213916664 /nfs/dbraw/zinc/91/66/64/1213916664.db2.gz BNXAUGCTWYHVKT-UHFFFAOYSA-N 2 0 331.508 2.067 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000304781401 1216105005 /nfs/dbraw/zinc/10/50/05/1216105005.db2.gz GGHYYSZWICFZHY-HIFRSBDPSA-N 2 0 338.883 2.496 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC000959922797 1216233307 /nfs/dbraw/zinc/23/33/07/1216233307.db2.gz DHYMZGBYCRAUST-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961188430 1217077306 /nfs/dbraw/zinc/07/73/06/1217077306.db2.gz VLLHKNSTQQCHOQ-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961342226 1217150024 /nfs/dbraw/zinc/15/00/24/1217150024.db2.gz QHFFZURGNMHURB-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961432206 1217187569 /nfs/dbraw/zinc/18/75/69/1217187569.db2.gz PNXKDCGAPLERPM-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357214 1217551551 /nfs/dbraw/zinc/55/15/51/1217551551.db2.gz IXGVXPKEDFDCGG-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1CC ZINC001037885680 1219973135 /nfs/dbraw/zinc/97/31/35/1219973135.db2.gz JJLVYZUOXCJIRP-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419417 1221289916 /nfs/dbraw/zinc/28/99/16/1221289916.db2.gz ULWUJRFGNCBEIW-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001007518414 1222273405 /nfs/dbraw/zinc/27/34/05/1222273405.db2.gz AQNFNCNDDOASTK-MOPGFXCFSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016690381 1226783756 /nfs/dbraw/zinc/78/37/56/1226783756.db2.gz KCAXDAFEINMELY-HUUCEWRRSA-N 2 0 325.884 2.194 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018938542 1228552129 /nfs/dbraw/zinc/55/21/29/1228552129.db2.gz SAZMROCGCJVBCO-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001019469804 1229135298 /nfs/dbraw/zinc/13/52/98/1229135298.db2.gz OUFIMSBSDDNJBH-HNNXBMFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137925 1230351444 /nfs/dbraw/zinc/35/14/44/1230351444.db2.gz LBHXBNCMSIONMP-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039164995 1230387446 /nfs/dbraw/zinc/38/74/46/1230387446.db2.gz JMXNXXJUVZFQKL-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039233241 1230466097 /nfs/dbraw/zinc/46/60/97/1230466097.db2.gz JJEUXDYOKCMTQZ-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001039411301 1230592210 /nfs/dbraw/zinc/59/22/10/1230592210.db2.gz PJPODOUHOYKOQT-MOPGFXCFSA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040280417 1231149672 /nfs/dbraw/zinc/14/96/72/1231149672.db2.gz GXKUCDVCFQOXDF-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329186 1231172881 /nfs/dbraw/zinc/17/28/81/1231172881.db2.gz SADBDWTYJWBXNP-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883235 1231395249 /nfs/dbraw/zinc/39/52/49/1231395249.db2.gz LAJMJCWONIWAAT-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842141 1231725876 /nfs/dbraw/zinc/72/58/76/1231725876.db2.gz BTKZAJYUEYKXCO-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)C)C3)C2)CC1 ZINC001041844150 1231727874 /nfs/dbraw/zinc/72/78/74/1231727874.db2.gz DRUMEWKEHMKGPA-OAQYLSRUSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042305649 1232018406 /nfs/dbraw/zinc/01/84/06/1232018406.db2.gz BYNBCPUKDCFUPM-UYAOXDASSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=C)Cl)C[C@@H]2C)CC1 ZINC001044871475 1233331916 /nfs/dbraw/zinc/33/19/16/1233331916.db2.gz KWWUMKWKWIPLJN-RDJZCZTQSA-N 2 0 337.895 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](F)CC)CC1 ZINC001045895891 1234127555 /nfs/dbraw/zinc/12/75/55/1234127555.db2.gz RYXUAUWCHZISMU-QRVBRYPASA-N 2 0 349.494 2.145 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001046950796 1235346526 /nfs/dbraw/zinc/34/65/26/1235346526.db2.gz LMCFAWYRZCLUJE-CVEARBPZSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047243380 1235732367 /nfs/dbraw/zinc/73/23/67/1235732367.db2.gz LCODZIACNXHMDL-MOPGFXCFSA-N 2 0 333.520 2.156 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001047245154 1235737127 /nfs/dbraw/zinc/73/71/27/1235737127.db2.gz XVVDKGBBHYEGDG-SFHVURJKSA-N 2 0 342.487 2.316 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001047245152 1235737269 /nfs/dbraw/zinc/73/72/69/1235737269.db2.gz XVVDKGBBHYEGDG-GOSISDBHSA-N 2 0 342.487 2.316 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048524831 1237858688 /nfs/dbraw/zinc/85/86/88/1237858688.db2.gz BQAKQTCZFGFNRT-IEWDOMPSSA-N 2 0 331.504 2.406 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543136 1237923264 /nfs/dbraw/zinc/92/32/64/1237923264.db2.gz NGFCPGVRWBKMMT-VBUUOAMHSA-N 2 0 336.439 2.330 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001000104086 1239945836 /nfs/dbraw/zinc/94/58/36/1239945836.db2.gz MUVIMVNVRNMIGN-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001005474 1241428537 /nfs/dbraw/zinc/42/85/37/1241428537.db2.gz BHAARISPNBOWAK-JKSUJKDBSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001001490535 1242373427 /nfs/dbraw/zinc/37/34/27/1242373427.db2.gz ZFTPGWAGXFZXAJ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC[C@H](C)F)CC1 ZINC001049909454 1242657597 /nfs/dbraw/zinc/65/75/97/1242657597.db2.gz BGNQRWSOINMKQF-UHOSZYNNSA-N 2 0 349.494 2.145 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257627 1245582825 /nfs/dbraw/zinc/58/28/25/1245582825.db2.gz DHBHFPPBIPQKMF-RYRKJORJSA-N 2 0 325.472 2.023 20 30 EEEDRP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460718 1245858556 /nfs/dbraw/zinc/85/85/56/1245858556.db2.gz UEAKNKCVXFGFGY-GGPKGHCWSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001053106123 1245922679 /nfs/dbraw/zinc/92/26/79/1245922679.db2.gz SGYVWRXPEKUNOV-PKOBYXMFSA-N 2 0 342.487 2.377 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141697 1247504449 /nfs/dbraw/zinc/50/44/49/1247504449.db2.gz NRNREIGVGYMRBV-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186692 1247658000 /nfs/dbraw/zinc/65/80/00/1247658000.db2.gz ZUCHPRFITKSDNU-FQEVSTJZSA-N 2 0 343.471 2.293 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCCC)C3)C2)CC1 ZINC001054244583 1247857111 /nfs/dbraw/zinc/85/71/11/1247857111.db2.gz HLIKRFOBQZDSNO-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191548 1257620238 /nfs/dbraw/zinc/62/02/38/1257620238.db2.gz JWSOUOGTFJIDEP-AKHDSKFASA-N 2 0 331.504 2.386 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O2 ZINC001098620448 1257728198 /nfs/dbraw/zinc/72/81/98/1257728198.db2.gz XAYXAXYJVHKSMT-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250282 1258035206 /nfs/dbraw/zinc/03/52/06/1258035206.db2.gz FJLGLVSCJOFUSJ-MGPQQGTHSA-N 2 0 333.398 2.024 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001099552529 1258200460 /nfs/dbraw/zinc/20/04/60/1258200460.db2.gz OKSMYVWWFHUMAR-VJANTYMQSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCC(C)C)C2)CC1 ZINC001101025105 1259577471 /nfs/dbraw/zinc/57/74/71/1259577471.db2.gz WCVRDBPDBUZAKR-UHFFFAOYSA-N 2 0 333.520 2.252 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001190899078 1281130748 /nfs/dbraw/zinc/13/07/48/1281130748.db2.gz GXJAVUHJEVRELH-RTBURBONSA-N 2 0 345.462 2.050 20 30 EEEDRP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192906922 1282228678 /nfs/dbraw/zinc/22/86/78/1282228678.db2.gz RWFJRBXAQYRQSX-SFHVURJKSA-N 2 0 339.524 2.234 20 30 EEEDRP C#CCC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CCC)c1ccccc1OC ZINC001198969936 1285452216 /nfs/dbraw/zinc/45/22/16/1285452216.db2.gz YYGPLTKPODYNNM-SFHVURJKSA-N 2 0 345.487 2.197 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604467 1296947955 /nfs/dbraw/zinc/94/79/55/1296947955.db2.gz CJYYRYVAQMRQKT-RSPOEFSDSA-N 2 0 341.499 2.344 20 30 EEEDRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2C[NH2+]C[C@H]2C#N)O1 ZINC001217831041 1297518288 /nfs/dbraw/zinc/51/82/88/1297518288.db2.gz IRBXIEDEEHUZDF-WSTZPKSXSA-N 2 0 343.471 2.184 20 30 EEEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801630 1297543539 /nfs/dbraw/zinc/54/35/39/1297543539.db2.gz QBOQBEBWAQCKEL-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537920 1298052527 /nfs/dbraw/zinc/05/25/27/1298052527.db2.gz RNKOAFLVXLPZBW-IIDMSEBBSA-N 2 0 348.406 2.035 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099548500 1299209143 /nfs/dbraw/zinc/20/91/43/1299209143.db2.gz WLAZITCKHFITIC-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222073239 1299325119 /nfs/dbraw/zinc/32/51/19/1299325119.db2.gz SFIWBIVZANZYMX-INIZCTEOSA-N 2 0 331.460 2.339 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143275 1300912308 /nfs/dbraw/zinc/91/23/08/1300912308.db2.gz WIJOHUMQNVOMJI-NRFANRHFSA-N 2 0 341.499 2.315 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103050163 1302129799 /nfs/dbraw/zinc/12/97/99/1302129799.db2.gz VGTILVAWEDJCKN-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001229231227 1302685772 /nfs/dbraw/zinc/68/57/72/1302685772.db2.gz NVPYJTOXFIFMMV-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001111875882 1304039576 /nfs/dbraw/zinc/03/95/76/1304039576.db2.gz JFANGWALUKBJPF-BJLQDIEVSA-N 2 0 349.519 2.034 20 30 EEEDRP CCC(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277852597 1304906285 /nfs/dbraw/zinc/90/62/85/1304906285.db2.gz WOLOLHNVJBSPLE-MOPGFXCFSA-N 2 0 328.460 2.400 20 30 EEEDRP N#CCCC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3CC4CC[NH+]3CC4)(C1)CCC2 ZINC001277941070 1305210125 /nfs/dbraw/zinc/21/01/25/1305210125.db2.gz JRBRQMHFHGIRBG-YZGWKJHDSA-N 2 0 344.503 2.326 20 30 EEEDRP CSc1nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C2C[NH2+]C2)n1 ZINC001240338076 1309308388 /nfs/dbraw/zinc/30/83/88/1309308388.db2.gz JBQYVTFPINGOFG-UHFFFAOYSA-N 2 0 337.452 2.111 20 30 EEEDRP N#CC1(c2ccccc2-c2ccnc(N3CC[NH2+]CC3)c2)CC[NH2+]CC1 ZINC001242397233 1309661179 /nfs/dbraw/zinc/66/11/79/1309661179.db2.gz SVUPWBPPXWYMEJ-UHFFFAOYSA-N 2 0 347.466 2.303 20 30 EEEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246600216 1310353252 /nfs/dbraw/zinc/35/32/52/1310353252.db2.gz FVRRXQZPQFJDJN-UHFFFAOYSA-N 2 0 338.499 2.418 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001162996804 1321008121 /nfs/dbraw/zinc/00/81/21/1321008121.db2.gz ASGYNUYNNDICKP-UHFFFAOYSA-N 2 0 329.488 2.319 20 30 EEEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C#N)nc1)C2 ZINC001140542534 1314902445 /nfs/dbraw/zinc/90/24/45/1314902445.db2.gz ASUKKBKCIZZVKX-QUCCMNQESA-N 2 0 340.471 2.134 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203123399 1315703375 /nfs/dbraw/zinc/70/33/75/1315703375.db2.gz UZIXTSOEPMEQFB-ROUUACIJSA-N 2 0 336.439 2.297 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937467 1316096748 /nfs/dbraw/zinc/09/67/48/1316096748.db2.gz SJBRZZOMGOXTQU-SJORKVTESA-N 2 0 339.524 2.279 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152480256 1316678022 /nfs/dbraw/zinc/67/80/22/1316678022.db2.gz OFEQMULNBFFKCU-AWEZNQCLSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823914 1316892766 /nfs/dbraw/zinc/89/27/66/1316892766.db2.gz DMVYVXWNGNSBCO-DNVCBOLYSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850905 1316899706 /nfs/dbraw/zinc/89/97/06/1316899706.db2.gz NRPHRNUUTLMLAD-MRXNPFEDSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226706 1317510887 /nfs/dbraw/zinc/51/08/87/1317510887.db2.gz NRYNMUBDQCNFBE-RBUKOAKNSA-N 2 0 341.499 2.349 20 30 EEEDRP CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252129929 1317559328 /nfs/dbraw/zinc/55/93/28/1317559328.db2.gz HEPFAITZRDUAMI-SFHVURJKSA-N 2 0 341.540 2.194 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001254344976 1318049064 /nfs/dbraw/zinc/04/90/64/1318049064.db2.gz LEXUIXQNJLUSGA-UHFFFAOYSA-N 2 0 331.439 2.383 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001158435105 1319237313 /nfs/dbraw/zinc/23/73/13/1319237313.db2.gz QUKYATNFLGLIOG-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CSc1nc(-c2ccccc2)nc(N[C@H]([NH3+])CCC[NH3+])c1C#N ZINC001159787211 1319991140 /nfs/dbraw/zinc/99/11/40/1319991140.db2.gz TYAATHWGFSKUAV-ZDUSSCGKSA-N 2 0 328.445 2.173 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160568423 1320200885 /nfs/dbraw/zinc/20/08/85/1320200885.db2.gz UXVWYOKCQBQKLD-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)(COC)CC1 ZINC001162539182 1320891849 /nfs/dbraw/zinc/89/18/49/1320891849.db2.gz KOWYPZPIMPVYSR-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1C#N ZINC001163328496 1321099063 /nfs/dbraw/zinc/09/90/63/1321099063.db2.gz QEGBEACYRJSRFF-VFSLZNNTSA-N 2 0 327.432 2.103 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507272 1321900224 /nfs/dbraw/zinc/90/02/24/1321900224.db2.gz PJCGSDYWHYSASF-RBUKOAKNSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203558082 1321912323 /nfs/dbraw/zinc/91/23/23/1321912323.db2.gz VPCLHRURBTYFFP-ZWKOTPCHSA-N 2 0 331.504 2.147 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210482028 1325302576 /nfs/dbraw/zinc/30/25/76/1325302576.db2.gz JFGHWXWUMCFMLC-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076305 1337983493 /nfs/dbraw/zinc/98/34/93/1337983493.db2.gz JGZSDCKKFTUXCK-MSOLQXFVSA-N 2 0 341.540 2.240 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200478389 1338356291 /nfs/dbraw/zinc/35/62/91/1338356291.db2.gz ISOCUHFLPGUIAS-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001672392641 1356514249 /nfs/dbraw/zinc/51/42/49/1356514249.db2.gz OXKWPJSIIZEVTD-QGZVFWFLSA-N 2 0 335.879 2.452 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001112382143 1371427008 /nfs/dbraw/zinc/42/70/08/1371427008.db2.gz HTRGBFGJFDNGTE-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001367715751 1374241777 /nfs/dbraw/zinc/24/17/77/1374241777.db2.gz SAIKMDHGYMFSBP-CQSZACIVSA-N 2 0 334.489 2.090 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001371534391 1375487924 /nfs/dbraw/zinc/48/79/24/1375487924.db2.gz NPYYKHQXVBGOOD-KRWDZBQOSA-N 2 0 335.879 2.104 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001374445480 1376823251 /nfs/dbraw/zinc/82/32/51/1376823251.db2.gz WBEVLJIDEFNNMZ-RTBURBONSA-N 2 0 344.503 2.375 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001390837520 1388812372 /nfs/dbraw/zinc/81/23/72/1388812372.db2.gz LKZDWFMGWQQHKD-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895162 1389692194 /nfs/dbraw/zinc/69/21/94/1389692194.db2.gz QHCRPONMODYBAN-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001394525503 1390721549 /nfs/dbraw/zinc/72/15/49/1390721549.db2.gz ZCHSYMLSZWWEGC-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752913380 1406540444 /nfs/dbraw/zinc/54/04/44/1406540444.db2.gz JLOZLUXTEBPRJI-OAHLLOKOSA-N 2 0 335.879 2.128 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753039669 1406624700 /nfs/dbraw/zinc/62/47/00/1406624700.db2.gz HSOUOZSSPRCUDT-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001401113093 1396947371 /nfs/dbraw/zinc/94/73/71/1396947371.db2.gz CQNMRFKEBUBWDD-XJKSGUPXSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389934 1400566634 /nfs/dbraw/zinc/56/66/34/1400566634.db2.gz PXPIWCLVRQRYQL-HUUCEWRRSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)CC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC001755289016 1407295046 /nfs/dbraw/zinc/29/50/46/1407295046.db2.gz FLAGREGJBFMLTO-UHFFFAOYSA-N 2 0 343.515 2.454 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001732745677 1405969685 /nfs/dbraw/zinc/96/96/85/1405969685.db2.gz JPXULXBUHGVCRQ-KDOFPFPSSA-N 2 0 348.466 2.268 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755498873 1407542825 /nfs/dbraw/zinc/54/28/25/1407542825.db2.gz PILNNYYLVJQSQY-CKEIUWERSA-N 2 0 348.516 2.334 20 30 EEEDRP C[N@@H+]1CCCN(Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303864806 1409792259 /nfs/dbraw/zinc/79/22/59/1409792259.db2.gz BGFZIWAYVDNBNJ-UHFFFAOYSA-N 2 0 343.519 2.029 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001075418073 759633649 /nfs/dbraw/zinc/63/36/49/759633649.db2.gz WOMNFNIEBSYUCF-AZUAARDMSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535006 759892986 /nfs/dbraw/zinc/89/29/86/759892986.db2.gz JBIBXRUOTVELAP-BCLQGDPASA-N 2 0 325.884 2.098 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023156 782783047 /nfs/dbraw/zinc/78/30/47/782783047.db2.gz QQLUIVZMCGMBIE-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997617160 790453794 /nfs/dbraw/zinc/45/37/94/790453794.db2.gz DXBWJAXFWLESSM-QFBILLFUSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981222295 776869773 /nfs/dbraw/zinc/86/97/73/776869773.db2.gz YQUUXNLQHRPOSW-LSDHHAIUSA-N 2 0 325.416 2.084 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981222294 776870200 /nfs/dbraw/zinc/87/02/00/776870200.db2.gz YQUUXNLQHRPOSW-HUUCEWRRSA-N 2 0 325.416 2.084 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)CCO2 ZINC000949108614 778505683 /nfs/dbraw/zinc/50/56/83/778505683.db2.gz QVUFPNGLSMYTMK-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116992 779128263 /nfs/dbraw/zinc/12/82/63/779128263.db2.gz WOYHSDCYSYNHGQ-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709446 779382878 /nfs/dbraw/zinc/38/28/78/779382878.db2.gz NHIHYYDKUYIBLO-VQTJNVASSA-N 2 0 341.499 2.326 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)[NH+]1CCCCCC1)CCO2 ZINC000949205265 779917303 /nfs/dbraw/zinc/91/73/03/779917303.db2.gz RMYIVBSHCYFZJB-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164542 781810320 /nfs/dbraw/zinc/81/03/20/781810320.db2.gz MNDAFOILKIEKTK-MCIONIFRSA-N 2 0 335.414 2.272 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396034 781909377 /nfs/dbraw/zinc/90/93/77/781909377.db2.gz HGJOXQOHFLTTHV-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)CCCC1 ZINC001131834593 783334121 /nfs/dbraw/zinc/33/41/21/783334121.db2.gz FAZUMOWMVJOSTA-UHFFFAOYSA-N 2 0 345.462 2.148 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946807900 783534336 /nfs/dbraw/zinc/53/43/36/783534336.db2.gz GHQNHRZYPQGHGU-KDURUIRLSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035227374 784114916 /nfs/dbraw/zinc/11/49/16/784114916.db2.gz PXYBTCZXYWQKLP-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217362 784144532 /nfs/dbraw/zinc/14/45/32/784144532.db2.gz RVMVGEBIBMTJSG-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939381 784831141 /nfs/dbraw/zinc/83/11/41/784831141.db2.gz ZDIROSLZNUBVIS-JKSUJKDBSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939113 784831573 /nfs/dbraw/zinc/83/15/73/784831573.db2.gz UMLOMQCQLICLBZ-ZIAGYGMSSA-N 2 0 346.500 2.088 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975862 784924653 /nfs/dbraw/zinc/92/46/53/784924653.db2.gz DQQUNAQKWXTRHU-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991502004 789144036 /nfs/dbraw/zinc/14/40/36/789144036.db2.gz JOPAFVDMNHBYPK-UYAOXDASSA-N 2 0 336.439 2.393 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(OC)c1 ZINC000923284115 789282650 /nfs/dbraw/zinc/28/26/50/789282650.db2.gz HPRMICYLWSNTLO-YJBOKZPZSA-N 2 0 348.487 2.223 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997191292 789412570 /nfs/dbraw/zinc/41/25/70/789412570.db2.gz RAXPHCTZAMYJSP-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946818 789708951 /nfs/dbraw/zinc/70/89/51/789708951.db2.gz ZEFNSYFMVVNTJG-LJQANCHMSA-N 2 0 337.508 2.034 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001091100334 789804458 /nfs/dbraw/zinc/80/44/58/789804458.db2.gz QCYIHHWJFHRVIG-PPSBMQLTSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951230 793082030 /nfs/dbraw/zinc/08/20/30/793082030.db2.gz YBVSSRYZBZQAAO-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091805023 793276752 /nfs/dbraw/zinc/27/67/52/793276752.db2.gz ZKRWHBARVXDZOE-UTKZUKDTSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809340 793281379 /nfs/dbraw/zinc/28/13/79/793281379.db2.gz CHOGOJSLOFUWEP-HBFSDRIKSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012958 793505694 /nfs/dbraw/zinc/50/56/94/793505694.db2.gz FDNHWTHBNDHIAR-UXPWSPDFSA-N 2 0 349.494 2.003 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992374726 793868049 /nfs/dbraw/zinc/86/80/49/793868049.db2.gz YFIXOSCFPHFTKR-ICSRJNTNSA-N 2 0 331.504 2.243 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000999434392 794457731 /nfs/dbraw/zinc/45/77/31/794457731.db2.gz MUVIMVNVRNMIGN-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079210871 794460563 /nfs/dbraw/zinc/46/05/63/794460563.db2.gz FTHLCXZFKDYESP-NZSAHSFTSA-N 2 0 345.462 2.238 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079311343 794601983 /nfs/dbraw/zinc/60/19/83/794601983.db2.gz VZEBOLAZZNCXCK-JQHSSLGASA-N 2 0 333.451 2.236 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372616 795104801 /nfs/dbraw/zinc/10/48/01/795104801.db2.gz FZODROCKNDIPEF-OALUTQOASA-N 2 0 345.531 2.299 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700951 795119258 /nfs/dbraw/zinc/11/92/58/795119258.db2.gz QOLSGVFFTQWOMB-ZIFCJYIRSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079967632 795450835 /nfs/dbraw/zinc/45/08/35/795450835.db2.gz QPAVCBFYWLFDFU-KBRIMQKVSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453031 796261621 /nfs/dbraw/zinc/26/16/21/796261621.db2.gz JDKVKPHLRNXTDV-UYAOXDASSA-N 2 0 336.439 2.250 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106729670 796328643 /nfs/dbraw/zinc/32/86/43/796328643.db2.gz WDCLPJSHCLDLJA-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081179775 796679365 /nfs/dbraw/zinc/67/93/65/796679365.db2.gz JNQIPLWHYXWMEU-YTQUADARSA-N 2 0 327.472 2.241 20 30 EEEDRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](C)CCCC#N)CCC2 ZINC001172493771 797006224 /nfs/dbraw/zinc/00/62/24/797006224.db2.gz CQFXASMPZRWGIG-MRXNPFEDSA-N 2 0 345.491 2.372 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803911 797031765 /nfs/dbraw/zinc/03/17/65/797031765.db2.gz JVPSOQXACGGVCB-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094938014 797058874 /nfs/dbraw/zinc/05/88/74/797058874.db2.gz SBCDMOBJOFONDR-DZKIICNBSA-N 2 0 325.884 2.192 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201170 797401597 /nfs/dbraw/zinc/40/15/97/797401597.db2.gz IAQOWGAPSPMFJZ-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175295527 798051403 /nfs/dbraw/zinc/05/14/03/798051403.db2.gz GMBVBYXKODBRPD-GOSISDBHSA-N 2 0 329.488 2.059 20 30 EEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001175326939 798078824 /nfs/dbraw/zinc/07/88/24/798078824.db2.gz YYFMSIPUOOQRSN-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504677 798104087 /nfs/dbraw/zinc/10/40/87/798104087.db2.gz XWGLXKUVCIZRIK-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545876 798314805 /nfs/dbraw/zinc/31/48/05/798314805.db2.gz WVQGMKPDGJBYKH-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111024 798353737 /nfs/dbraw/zinc/35/37/37/798353737.db2.gz DVYZQSUFFMRNJK-FXAWDEMLSA-N 2 0 329.488 2.361 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161070 798374785 /nfs/dbraw/zinc/37/47/85/798374785.db2.gz MYAQYUQEUVWNIJ-QGZVFWFLSA-N 2 0 327.513 2.021 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001040824779 798438563 /nfs/dbraw/zinc/43/85/63/798438563.db2.gz WPTJEQXAIZFAAS-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101246 798675016 /nfs/dbraw/zinc/67/50/16/798675016.db2.gz YSXYKKUOADCFTL-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001176997026 798685835 /nfs/dbraw/zinc/68/58/35/798685835.db2.gz FZDGTMHBZATQQA-KRWDZBQOSA-N 2 0 348.516 2.336 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085152673 798727644 /nfs/dbraw/zinc/72/76/44/798727644.db2.gz NAXUMYWFSSVQPM-QRVBRYPASA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001177348886 798901586 /nfs/dbraw/zinc/90/15/86/798901586.db2.gz PUKJEBIMWNDESG-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001178045462 799229888 /nfs/dbraw/zinc/22/98/88/799229888.db2.gz MEJZKMVPUCBBIY-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431179 799919649 /nfs/dbraw/zinc/91/96/49/799919649.db2.gz PONFSBSXWNOXCF-BBRMVZONSA-N 2 0 346.500 2.041 20 30 EEEDRP CC[NH+](CC)CC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180391463 800392925 /nfs/dbraw/zinc/39/29/25/800392925.db2.gz SJKUNUVAOKLXSU-WGSAOQKQSA-N 2 0 342.487 2.499 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083232 801509312 /nfs/dbraw/zinc/50/93/12/801509312.db2.gz ZINYRSXJDCKIHM-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540886 802331138 /nfs/dbraw/zinc/33/11/38/802331138.db2.gz USQURRRMDMCPJL-RBUKOAKNSA-N 2 0 333.520 2.299 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608310 802475509 /nfs/dbraw/zinc/47/55/09/802475509.db2.gz YPMOBVKOAJJMHA-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253417 802615061 /nfs/dbraw/zinc/61/50/61/802615061.db2.gz GAQABJVSTLVGHZ-CAOSSQGBSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001108283473 803157508 /nfs/dbraw/zinc/15/75/08/803157508.db2.gz DOOCLJLNEVZKEL-IBGZPJMESA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108405314 803475968 /nfs/dbraw/zinc/47/59/68/803475968.db2.gz YIHPPTKCUJYLLT-LJQANCHMSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108688344 804355531 /nfs/dbraw/zinc/35/55/31/804355531.db2.gz YVEGJBCKDDTKKZ-BZSNNMDCSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001108715810 804384957 /nfs/dbraw/zinc/38/49/57/804384957.db2.gz ASBQJXKPGHXLOV-SCTDSRPQSA-N 2 0 342.487 2.453 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108822982 804565147 /nfs/dbraw/zinc/56/51/47/804565147.db2.gz DTOVACUSNORYDS-FHWLQOOXSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086624053 810935537 /nfs/dbraw/zinc/93/55/37/810935537.db2.gz LGYSZEREVHSODR-CEXWTWQISA-N 2 0 327.472 2.098 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001437050498 1088938930 /nfs/dbraw/zinc/93/89/30/1088938930.db2.gz OWHGSNYZCHKESU-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959257 1091651920 /nfs/dbraw/zinc/65/19/20/1091651920.db2.gz HZAZWLFIIZOFNB-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001441995914 1096197813 /nfs/dbraw/zinc/19/78/13/1096197813.db2.gz MUNQPFBMLBPABP-MRXNPFEDSA-N 2 0 342.487 2.273 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001441995910 1096198261 /nfs/dbraw/zinc/19/82/61/1096198261.db2.gz MUNQPFBMLBPABP-INIZCTEOSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCC[NH+](C)C ZINC001446444451 1100866152 /nfs/dbraw/zinc/86/61/52/1100866152.db2.gz PCLILODEPHAPEZ-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001447635298 1103006856 /nfs/dbraw/zinc/00/68/56/1103006856.db2.gz MZRUXEPLZGEJPA-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480699314 1106909827 /nfs/dbraw/zinc/90/98/27/1106909827.db2.gz TWZLKYSQTDXEGM-LSDHHAIUSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001506872352 1114942534 /nfs/dbraw/zinc/94/25/34/1114942534.db2.gz PDZFNKMHKCLENP-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000537296591 318015672 /nfs/dbraw/zinc/01/56/72/318015672.db2.gz UWIJYCHWCZNZPY-KRWDZBQOSA-N 2 0 326.488 2.454 20 30 EEEDRP C[C@H](Cn1ccnc1)[NH+]=C([O-])N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000329341318 465305062 /nfs/dbraw/zinc/30/50/62/465305062.db2.gz SAVVNTLROZBZFX-AQFXKWCLSA-N 2 0 333.480 2.382 20 30 EEEDRP C[C@](C#N)(NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000121888358 463213012 /nfs/dbraw/zinc/21/30/12/463213012.db2.gz KEYKCCDRPJLVMM-HXUWFJFHSA-N 2 0 346.519 2.383 20 30 EEEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170914985 463741097 /nfs/dbraw/zinc/74/10/97/463741097.db2.gz KJFHNQVFQFAPLI-UHFFFAOYSA-N 2 0 327.432 2.339 20 30 EEEDRP C#Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000289202000 464070218 /nfs/dbraw/zinc/07/02/18/464070218.db2.gz HVFRDLJMKIPGTL-UHFFFAOYSA-N 2 0 334.467 2.365 20 30 EEEDRP COCC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180050250 464231459 /nfs/dbraw/zinc/23/14/59/464231459.db2.gz UZAAMZWFSLLUED-UHFFFAOYSA-N 2 0 341.459 2.017 20 30 EEEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264066246 464278665 /nfs/dbraw/zinc/27/86/65/464278665.db2.gz FGIUKESOXMNSBO-HZPDHXFCSA-N 2 0 332.492 2.356 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264105565 464283586 /nfs/dbraw/zinc/28/35/86/464283586.db2.gz PJTCECYRKSUEEI-QGZVFWFLSA-N 2 0 331.508 2.292 20 30 EEEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000264904413 464502658 /nfs/dbraw/zinc/50/26/58/464502658.db2.gz WVVUBEQHMLHTBV-INIZCTEOSA-N 2 0 330.476 2.379 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(CNC(=[NH2+])N[C@H](C)CC)cc1 ZINC000274252316 464738601 /nfs/dbraw/zinc/73/86/01/464738601.db2.gz YSIZGCLMKODSNM-ZIAGYGMSSA-N 2 0 332.496 2.092 20 30 EEEDRP COCC[N@H+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266971264 464890354 /nfs/dbraw/zinc/89/03/54/464890354.db2.gz FSKJAJYTGRGLCS-UHFFFAOYSA-N 2 0 346.397 2.078 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000417057629 466766647 /nfs/dbraw/zinc/76/66/47/466766647.db2.gz BUTUMQYOLBVJMA-ZSYWTGECSA-N 2 0 348.535 2.454 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000417518569 466875084 /nfs/dbraw/zinc/87/50/84/466875084.db2.gz CINBLWQYOMYYAW-QGZVFWFLSA-N 2 0 334.508 2.058 20 30 EEEDRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424125943 466985105 /nfs/dbraw/zinc/98/51/05/466985105.db2.gz AYAHZDGEQXUOMO-GOSISDBHSA-N 2 0 328.460 2.097 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000574906268 468132637 /nfs/dbraw/zinc/13/26/37/468132637.db2.gz KFCCPJGTNSTMRX-RBUKOAKNSA-N 2 0 342.487 2.163 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000490589252 468222091 /nfs/dbraw/zinc/22/20/91/468222091.db2.gz AFNXGALHUUJMMB-ZIFCJYIRSA-N 2 0 331.504 2.195 20 30 EEEDRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600715064 468630228 /nfs/dbraw/zinc/63/02/28/468630228.db2.gz DRTBATDIBMTFRL-IBGZPJMESA-N 2 0 345.487 2.400 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000592296465 468671546 /nfs/dbraw/zinc/67/15/46/468671546.db2.gz MAGCRIXYXSLLCQ-UHFFFAOYSA-N 2 0 342.487 2.342 20 30 EEEDRP CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599661256 469330140 /nfs/dbraw/zinc/33/01/40/469330140.db2.gz RFTDTOAPYAZPNY-UHFFFAOYSA-N 2 0 330.476 2.332 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000614403312 469932104 /nfs/dbraw/zinc/93/21/04/469932104.db2.gz QZSWNLFAYCWYIS-YLJYHZDGSA-N 2 0 326.488 2.325 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021192 782134588 /nfs/dbraw/zinc/13/45/88/782134588.db2.gz CJQJHEFCICIIPV-PMACEKPBSA-N 2 0 339.483 2.151 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700443 676359639 /nfs/dbraw/zinc/35/96/39/676359639.db2.gz PWZSSBAUASVDEK-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517063 680022195 /nfs/dbraw/zinc/02/21/95/680022195.db2.gz QMBONULZAQPFCS-IAGOWNOFSA-N 2 0 330.476 2.382 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261958624 682641233 /nfs/dbraw/zinc/64/12/33/682641233.db2.gz JNSFKAPWLYYOAQ-RLFYNMQTSA-N 2 0 342.487 2.200 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001025630812 683168493 /nfs/dbraw/zinc/16/84/93/683168493.db2.gz WSLBGJWGIAFVOT-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680803 693938214 /nfs/dbraw/zinc/93/82/14/693938214.db2.gz JQFMOERRLQNAJS-LJQANCHMSA-N 2 0 340.471 2.077 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262378161 685700067 /nfs/dbraw/zinc/70/00/67/685700067.db2.gz JWUQRCQIMRUDSK-RCCFBDPRSA-N 2 0 348.535 2.396 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262474367 686266013 /nfs/dbraw/zinc/26/60/13/686266013.db2.gz ZMPCEFNQIMHBQO-XDNAFOTISA-N 2 0 348.535 2.183 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441058 688158293 /nfs/dbraw/zinc/15/82/93/688158293.db2.gz RHXGBJCGFWMSSA-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP CSC1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC[NH+](C)CC1 ZINC000262345634 691241023 /nfs/dbraw/zinc/24/10/23/691241023.db2.gz XWTUELKABGCZCX-HNNXBMFYSA-N 2 0 348.516 2.242 20 30 EEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240284 692050212 /nfs/dbraw/zinc/05/02/12/692050212.db2.gz DXJVNWMVFNWNMS-AZUAARDMSA-N 2 0 333.520 2.465 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027461714 692203377 /nfs/dbraw/zinc/20/33/77/692203377.db2.gz NWHHXCLKWZSBRC-RTBURBONSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC000989734807 692231134 /nfs/dbraw/zinc/23/11/34/692231134.db2.gz DZBACNAUQFBRBA-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C[C@@H]2C)CC1 ZINC000989829031 692372147 /nfs/dbraw/zinc/37/21/47/692372147.db2.gz NHSSFHABJKWSQT-FXAWDEMLSA-N 2 0 343.515 2.411 20 30 EEEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@H](C)C1 ZINC000086230677 692385367 /nfs/dbraw/zinc/38/53/67/692385367.db2.gz RGPJZMGCXBGCRS-KRWDZBQOSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000977652029 692881056 /nfs/dbraw/zinc/88/10/56/692881056.db2.gz HPIDHIPIOAXAJK-SFHVURJKSA-N 2 0 333.520 2.204 20 30 EEEDRP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267320015 1178750126 /nfs/dbraw/zinc/75/01/26/1178750126.db2.gz XSZDWHYSZKSGDV-FQEVSTJZSA-N 2 0 343.515 2.453 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C1(C[NH+](C)C)CC1)CCO2 ZINC001105479294 1188088808 /nfs/dbraw/zinc/08/88/08/1188088808.db2.gz YTLQQFCNMAGKMJ-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2ccnc2)CCC1 ZINC001105551956 1188167629 /nfs/dbraw/zinc/16/76/29/1188167629.db2.gz RYGDHUHSDMIJAI-GOSISDBHSA-N 2 0 342.487 2.438 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001105576853 1188191041 /nfs/dbraw/zinc/19/10/41/1188191041.db2.gz MODRNQYFFADZST-NQIIRXRSSA-N 2 0 343.515 2.247 20 30 EEEDRP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272869758 1193585728 /nfs/dbraw/zinc/58/57/28/1193585728.db2.gz BDBGIDUJMJXANV-LJQANCHMSA-N 2 0 334.508 2.335 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001486129139 1193689681 /nfs/dbraw/zinc/68/96/81/1193689681.db2.gz MMYRLVKGXGQIAK-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001034005001 1195647682 /nfs/dbraw/zinc/64/76/82/1195647682.db2.gz SVPMAOIIFKAYAR-SFHVURJKSA-N 2 0 339.443 2.380 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005504513 1195745995 /nfs/dbraw/zinc/74/59/95/1195745995.db2.gz SQVUUDRUWFNSSY-LJQANCHMSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425508 1199714889 /nfs/dbraw/zinc/71/48/89/1199714889.db2.gz IXHNVPCQLORLJN-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132832230 1200095578 /nfs/dbraw/zinc/09/55/78/1200095578.db2.gz UDQHPURSLULSST-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133249559 1200640359 /nfs/dbraw/zinc/64/03/59/1200640359.db2.gz GXDXEHXIBGNPKQ-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133332861 1200755660 /nfs/dbraw/zinc/75/56/60/1200755660.db2.gz ACUCCGSMWJTCEV-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001133354104 1200783984 /nfs/dbraw/zinc/78/39/84/1200783984.db2.gz MWANWVLTCGBREL-SJORKVTESA-N 2 0 345.487 2.442 20 30 EEEDRP COCCCC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274987850 1205226583 /nfs/dbraw/zinc/22/65/83/1205226583.db2.gz JBILPPURGCTROX-UHFFFAOYSA-N 2 0 330.476 2.221 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155622509 1208331128 /nfs/dbraw/zinc/33/11/28/1208331128.db2.gz BXKTXVHODUUOMY-ZWKOTPCHSA-N 2 0 329.488 2.375 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726586 1209329820 /nfs/dbraw/zinc/32/98/20/1209329820.db2.gz VFVSBKAZCQZOHU-QGZVFWFLSA-N 2 0 331.460 2.291 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957614089 1215257985 /nfs/dbraw/zinc/25/79/85/1215257985.db2.gz AELWZSGEGVUFGH-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961440145 1217191131 /nfs/dbraw/zinc/19/11/31/1217191131.db2.gz JYTQYOUTYXFJKR-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964185848 1218256426 /nfs/dbraw/zinc/25/64/26/1218256426.db2.gz OWSFLPMOOWZHFE-FHERZECASA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424645 1220501927 /nfs/dbraw/zinc/50/19/27/1220501927.db2.gz UFENXYMORHDHBI-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1CC ZINC001037983513 1220878787 /nfs/dbraw/zinc/87/87/87/1220878787.db2.gz NKCLANDPOFJHKO-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326084 1221210590 /nfs/dbraw/zinc/21/05/90/1221210590.db2.gz CRFGNIIIIKQINK-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990841 1221723624 /nfs/dbraw/zinc/72/36/24/1221723624.db2.gz OQQAWKXPHGCAPV-RBUKOAKNSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccsc3)C2)CC1 ZINC001009626100 1223307968 /nfs/dbraw/zinc/30/79/68/1223307968.db2.gz ICZNZENNWSLGGP-GOSISDBHSA-N 2 0 345.512 2.174 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016908391 1226962123 /nfs/dbraw/zinc/96/21/23/1226962123.db2.gz YNOCPXMQBFFLAO-SFHVURJKSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC2CCC2)CC3)CC1 ZINC001016983969 1227013708 /nfs/dbraw/zinc/01/37/08/1227013708.db2.gz AXNODDDPBDTTRN-LJQANCHMSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC=C(C)C)CC3)CC1 ZINC001016983956 1227013966 /nfs/dbraw/zinc/01/39/66/1227013966.db2.gz ASRVTKRHSBXOPM-LJQANCHMSA-N 2 0 343.515 2.269 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001019203133 1228866929 /nfs/dbraw/zinc/86/69/29/1228866929.db2.gz KPUGYFBSTJCLLF-HNNXBMFYSA-N 2 0 330.819 2.429 20 30 EEEDRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054729788 1248946033 /nfs/dbraw/zinc/94/60/33/1248946033.db2.gz BZOIEORVJPICCC-CJNGLKHVSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139878 1230354122 /nfs/dbraw/zinc/35/41/22/1230354122.db2.gz MCZLZYNJEFUARS-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039152410 1230372050 /nfs/dbraw/zinc/37/20/50/1230372050.db2.gz YTTKCCSFJCWUMH-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167604 1230390651 /nfs/dbraw/zinc/39/06/51/1230390651.db2.gz YHQQZSNVHXJPGN-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174246 1230401067 /nfs/dbraw/zinc/40/10/67/1230401067.db2.gz PTNYMBSUMVZFHC-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039270574 1230501898 /nfs/dbraw/zinc/50/18/98/1230501898.db2.gz MLQBMWHMVSFCQI-WTXIUTQJSA-N 2 0 325.884 2.335 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001040510283 1231269719 /nfs/dbraw/zinc/26/97/19/1231269719.db2.gz NMNBIHIGYHFYSF-PMACEKPBSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542458 1231283973 /nfs/dbraw/zinc/28/39/73/1231283973.db2.gz IVRLZFNTMUNDIK-HXUWFJFHSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545640 1231286567 /nfs/dbraw/zinc/28/65/67/1231286567.db2.gz TWHVRWCJZGACMH-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC001040735584 1231352604 /nfs/dbraw/zinc/35/26/04/1231352604.db2.gz SVNZDHQZXLCEDS-HZPDHXFCSA-N 2 0 328.460 2.404 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817530 1231378632 /nfs/dbraw/zinc/37/86/32/1231378632.db2.gz SRDLCJJYWUHXBK-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040935607 1231406406 /nfs/dbraw/zinc/40/64/06/1231406406.db2.gz CJMPXDCTCXCFPR-OAHLLOKOSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782582 1231691963 /nfs/dbraw/zinc/69/19/63/1231691963.db2.gz AQFGJVQUQRTPPC-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@H](C)CC)C3)C2)CC1 ZINC001041842709 1231726684 /nfs/dbraw/zinc/72/66/84/1231726684.db2.gz ATOAOEWCQXEDRZ-NQIIRXRSSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001046994746 1235407487 /nfs/dbraw/zinc/40/74/87/1235407487.db2.gz LSBGMRJYJNSSGW-HUUCEWRRSA-N 2 0 329.435 2.120 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241712 1235728812 /nfs/dbraw/zinc/72/88/12/1235728812.db2.gz SWXRCUJFJUVXKI-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047245563 1235738774 /nfs/dbraw/zinc/73/87/74/1235738774.db2.gz ZVQAPUPPEJJLLD-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194161 1240049255 /nfs/dbraw/zinc/04/92/55/1240049255.db2.gz UVZZZYODNCVDOO-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000261556 1240110379 /nfs/dbraw/zinc/11/03/79/1240110379.db2.gz OPGDIHFIIZBDJP-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290171 1240136765 /nfs/dbraw/zinc/13/67/65/1240136765.db2.gz OTMYPVVZCQVUKC-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000742606 1240836311 /nfs/dbraw/zinc/83/63/11/1240836311.db2.gz ODFSGXXXNIDECD-UHFFFAOYSA-N 2 0 331.485 2.195 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049662911 1241808662 /nfs/dbraw/zinc/80/86/62/1241808662.db2.gz JRTKFOIZMWYTOM-CEXWTWQISA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768367 1242136045 /nfs/dbraw/zinc/13/60/45/1242136045.db2.gz VYGBVQXXLKKPJP-CEXWTWQISA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175452 1243045127 /nfs/dbraw/zinc/04/51/27/1243045127.db2.gz RFLXPDXBHTVCHI-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460719 1245858736 /nfs/dbraw/zinc/85/87/36/1245858736.db2.gz UEAKNKCVXFGFGY-NSHGMRRFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159238 1247564137 /nfs/dbraw/zinc/56/41/37/1247564137.db2.gz UTFPPAMUIUAVAS-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171301 1247597404 /nfs/dbraw/zinc/59/74/04/1247597404.db2.gz OCPLRKISYYYFHZ-AZUAARDMSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054245056 1247861272 /nfs/dbraw/zinc/86/12/72/1247861272.db2.gz NVSGIDWHEAQVRV-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099240566 1258029006 /nfs/dbraw/zinc/02/90/06/1258029006.db2.gz SKFHNFQWUWIVDN-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001099553711 1258202792 /nfs/dbraw/zinc/20/27/92/1258202792.db2.gz VSEIJVIYHUVJHD-OKYOBFRVSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099556030 1258205813 /nfs/dbraw/zinc/20/58/13/1258205813.db2.gz FCTMUSRIGUSOBX-OKYOBFRVSA-N 2 0 333.520 2.462 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597653 1258246273 /nfs/dbraw/zinc/24/62/73/1258246273.db2.gz ZDZILSYEUMLVLH-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773980 1278019352 /nfs/dbraw/zinc/01/93/52/1278019352.db2.gz SNZZBWJNYXVSFY-STQMWFEESA-N 2 0 348.329 2.498 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664307 1279955117 /nfs/dbraw/zinc/95/51/17/1279955117.db2.gz LKHPZRJYQUIAOW-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001192407209 1281977047 /nfs/dbraw/zinc/97/70/47/1281977047.db2.gz SPNHPWDGKNCTCE-IBGZPJMESA-N 2 0 329.488 2.270 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916668 1282234736 /nfs/dbraw/zinc/23/47/36/1282234736.db2.gz BKDITQFOHWNETK-ZWKOTPCHSA-N 2 0 339.524 2.088 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1cccc(C#N)c1 ZINC001197698320 1284761060 /nfs/dbraw/zinc/76/10/60/1284761060.db2.gz OJITXVHTWJSZLA-UHFFFAOYSA-N 2 0 347.532 2.460 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198759142 1285346815 /nfs/dbraw/zinc/34/68/15/1285346815.db2.gz CMEDXYCDPUPMFW-MJGOQNOKSA-N 2 0 345.487 2.358 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001211269349 1295790901 /nfs/dbraw/zinc/79/09/01/1295790901.db2.gz PYJIDUZKBGKSKI-QGZVFWFLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634455 1297332577 /nfs/dbraw/zinc/33/25/77/1297332577.db2.gz SFLOMLFZJFHAMI-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001218910877 1297860412 /nfs/dbraw/zinc/86/04/12/1297860412.db2.gz RUXUNIUUGNVKQC-LBPRGKRZSA-N 2 0 331.445 2.166 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052226 1297919264 /nfs/dbraw/zinc/91/92/64/1297919264.db2.gz NESLKXUEGDUNDP-CEXWTWQISA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCCCC)CC2)CC1 ZINC001225563302 1301062361 /nfs/dbraw/zinc/06/23/61/1301062361.db2.gz ASDCTCVUKHSGAI-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571052 1301068743 /nfs/dbraw/zinc/06/87/43/1301068743.db2.gz HEYCRLYLNWCVQR-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102473752 1301117953 /nfs/dbraw/zinc/11/79/53/1301117953.db2.gz NSXYUDJXSUGAGE-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102495854 1301145539 /nfs/dbraw/zinc/14/55/39/1301145539.db2.gz QLCJSSVOGUIVNT-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226889699 1301596128 /nfs/dbraw/zinc/59/61/28/1301596128.db2.gz AMFJFTFYDLUXLH-RCCFBDPRSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703141 1301934775 /nfs/dbraw/zinc/93/47/75/1301934775.db2.gz CCVMVHHFFKAHHE-QRVBRYPASA-N 2 0 349.519 2.080 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174551 1302386822 /nfs/dbraw/zinc/38/68/22/1302386822.db2.gz RQGLCBFRVBQUJM-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001230266609 1303133598 /nfs/dbraw/zinc/13/35/98/1303133598.db2.gz PYLQSHPIKGGFTK-RTBURBONSA-N 2 0 327.472 2.402 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571432 1303284345 /nfs/dbraw/zinc/28/43/45/1303284345.db2.gz DOMXGRKJULNGSZ-ROUUACIJSA-N 2 0 337.483 2.003 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001112441417 1304551885 /nfs/dbraw/zinc/55/18/85/1304551885.db2.gz YQEMUHIDIPLKJF-UWJYYQICSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447132 1304556667 /nfs/dbraw/zinc/55/66/67/1304556667.db2.gz FWSWQBJEKHIBID-HKUYNNGSSA-N 2 0 331.504 2.409 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234435420 1304921499 /nfs/dbraw/zinc/92/14/99/1304921499.db2.gz HBVAQGCMOPYWOM-QGZVFWFLSA-N 2 0 330.476 2.261 20 30 EEEDRP C=CCOc1ccccc1CN1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037703 1305479706 /nfs/dbraw/zinc/47/97/06/1305479706.db2.gz BSZCYZZMDCMENH-YLJYHZDGSA-N 2 0 344.455 2.226 20 30 EEEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCOCCOCC[NH3+] ZINC001245991714 1310202918 /nfs/dbraw/zinc/20/29/18/1310202918.db2.gz GUOCKEORIRRTHS-SFHVURJKSA-N 2 0 332.529 2.460 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930380 1314738983 /nfs/dbraw/zinc/73/89/83/1314738983.db2.gz ULJWJMBAELIHMN-IRXDYDNUSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001149974583 1316111786 /nfs/dbraw/zinc/11/17/86/1316111786.db2.gz NVMULJNYRXTIKN-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001151361899 1316512957 /nfs/dbraw/zinc/51/29/57/1316512957.db2.gz PHQGGZHQXYTARH-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001252471962 1317610685 /nfs/dbraw/zinc/61/06/85/1317610685.db2.gz LFIBXELGMXZCOY-NJDAHSKKSA-N 2 0 344.499 2.394 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001254664635 1318161296 /nfs/dbraw/zinc/16/12/96/1318161296.db2.gz IXDYVLLFWFJNEI-IAGOWNOFSA-N 2 0 327.476 2.419 20 30 EEEDRP NC(=O)c1ccc(C(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256601739 1318797492 /nfs/dbraw/zinc/79/74/92/1318797492.db2.gz ZJOLDSSWAOHVIT-UHFFFAOYSA-N 2 0 336.439 2.155 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)C2 ZINC001258767997 1319337932 /nfs/dbraw/zinc/33/79/32/1319337932.db2.gz SCLYKYXOIWVRNG-GOSISDBHSA-N 2 0 329.488 2.356 20 30 EEEDRP N#Cc1cc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc(C2C[NH2+]C2)c1 ZINC001160394220 1320153574 /nfs/dbraw/zinc/15/35/74/1320153574.db2.gz GBNUSMWACWAWNI-VQIMIIECSA-N 2 0 332.407 2.436 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)(COC)CC1 ZINC001162585361 1320904430 /nfs/dbraw/zinc/90/44/30/1320904430.db2.gz HAVRRQJAHGAZSO-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001162832223 1320970310 /nfs/dbraw/zinc/97/03/10/1320970310.db2.gz LOEICBFIWCIGSH-HXUWFJFHSA-N 2 0 341.499 2.011 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987766 1321006035 /nfs/dbraw/zinc/00/60/35/1321006035.db2.gz XKJNGYAMUQWJDQ-UHFFFAOYSA-N 2 0 343.515 2.403 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1C#N ZINC001163286201 1321088340 /nfs/dbraw/zinc/08/83/40/1321088340.db2.gz ZQAFQLIGXBIENP-VVFLTNOZSA-N 2 0 341.459 2.350 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1C#N ZINC001163650096 1321181191 /nfs/dbraw/zinc/18/11/91/1321181191.db2.gz KEPUWHTWNOLLCE-GGVUYJIWSA-N 2 0 341.459 2.493 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CC2(C)COC2)CC3)cc1C#N ZINC001276415710 1321940799 /nfs/dbraw/zinc/94/07/99/1321940799.db2.gz QGRLGPQRLSEICL-UHFFFAOYSA-N 2 0 342.487 2.221 20 30 EEEDRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001203758401 1321954601 /nfs/dbraw/zinc/95/46/01/1321954601.db2.gz XNSLEQLDPADLSW-UXHICEINSA-N 2 0 335.455 2.246 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206953563 1323739409 /nfs/dbraw/zinc/73/94/09/1323739409.db2.gz SHGJAPRNTKYAJU-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001209566013 1324972633 /nfs/dbraw/zinc/97/26/33/1324972633.db2.gz MNDZXZYNNHTSAR-QZTJIDSGSA-N 2 0 339.524 2.138 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210220738 1325205993 /nfs/dbraw/zinc/20/59/93/1325205993.db2.gz WJGYATFKWBXCRE-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001567240760 1342715392 /nfs/dbraw/zinc/71/53/92/1342715392.db2.gz PJBHRSBUCDGCMI-KRWDZBQOSA-N 2 0 333.520 2.396 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1sccc1C#N ZINC001647455436 1353283896 /nfs/dbraw/zinc/28/38/96/1353283896.db2.gz BQWFTAMCRSLVOR-OAHLLOKOSA-N 2 0 349.504 2.500 20 30 EEEDRP C=CCn1c([C@H]2CCCN2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001121682219 1371912828 /nfs/dbraw/zinc/91/28/28/1371912828.db2.gz NVJGTQDFQSFBHR-IAGOWNOFSA-N 2 0 346.523 2.399 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCCO1 ZINC001200510720 1373042493 /nfs/dbraw/zinc/04/24/93/1373042493.db2.gz SFBYTAVFNKYWPF-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccccc1C#N ZINC001366488040 1373916317 /nfs/dbraw/zinc/91/63/17/1373916317.db2.gz MREXJNLROPYIRC-KRWDZBQOSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001367874165 1374292867 /nfs/dbraw/zinc/29/28/67/1374292867.db2.gz PICGJQBYTXJQEP-KDOFPFPSSA-N 2 0 348.466 2.220 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001390067781 1388427755 /nfs/dbraw/zinc/42/77/55/1388427755.db2.gz VANGEAIVQCVJNB-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001379588978 1380769323 /nfs/dbraw/zinc/76/93/23/1380769323.db2.gz TUFAVXIHASSCCC-UONOGXRCSA-N 2 0 346.313 2.206 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001390626779 1388705850 /nfs/dbraw/zinc/70/58/50/1388705850.db2.gz OZADAOIIKLJXCK-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001381532939 1381640794 /nfs/dbraw/zinc/64/07/94/1381640794.db2.gz OFAXQCLWLPZGDK-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398196360 1391802376 /nfs/dbraw/zinc/80/23/76/1391802376.db2.gz CLZGBEFZBSQRRJ-ZBFHGGJFSA-N 2 0 327.900 2.440 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CC1)[NH+](C)C ZINC001398453869 1392776427 /nfs/dbraw/zinc/77/64/27/1392776427.db2.gz NUWZGZMYTQBWCR-ROUUACIJSA-N 2 0 346.450 2.022 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001753749325 1406772036 /nfs/dbraw/zinc/77/20/36/1406772036.db2.gz IAUAHMBCAFKDQB-OALUTQOASA-N 2 0 333.520 2.395 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001402852688 1398241458 /nfs/dbraw/zinc/24/14/58/1398241458.db2.gz DSQDPXJGSOOWIF-KSSFIOAISA-N 2 0 348.466 2.268 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586559 1400052421 /nfs/dbraw/zinc/05/24/21/1400052421.db2.gz BCMSKHHKDJOJBD-YJBOKZPZSA-N 2 0 330.476 2.081 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071972 1410518577 /nfs/dbraw/zinc/51/85/77/1410518577.db2.gz MYFXDNSEELVGOE-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491059 758071611 /nfs/dbraw/zinc/07/16/11/758071611.db2.gz CTDGHAIKXQSGDB-ZJOUEHCJSA-N 2 0 343.515 2.102 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167636798 760791320 /nfs/dbraw/zinc/79/13/20/760791320.db2.gz VSHIGPZIBGTJLK-UHFFFAOYSA-N 2 0 346.313 2.113 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415857 768911182 /nfs/dbraw/zinc/91/11/82/768911182.db2.gz DLKVVNQGMKKZIM-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540341 770171552 /nfs/dbraw/zinc/17/15/52/770171552.db2.gz UDACCNSMPMXIKV-OAHLLOKOSA-N 2 0 328.460 2.001 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089819016 776774253 /nfs/dbraw/zinc/77/42/53/776774253.db2.gz DKISGFVIKRKAMX-KANFNMMFSA-N 2 0 331.504 2.216 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049428 776822412 /nfs/dbraw/zinc/82/24/12/776822412.db2.gz SFDSNOQATUIFHW-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334713 777190641 /nfs/dbraw/zinc/19/06/41/777190641.db2.gz ODNWTOJWSIAWIV-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982109983 779118967 /nfs/dbraw/zinc/11/89/67/779118967.db2.gz DSHTYRMKHLVCKA-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305993 779657544 /nfs/dbraw/zinc/65/75/44/779657544.db2.gz CLUDEUJVPXXXLL-JYAXBFRTSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099542074 781735871 /nfs/dbraw/zinc/73/58/71/781735871.db2.gz AQQOLRZECZZPAJ-YVSFHVDLSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396181 781906964 /nfs/dbraw/zinc/90/69/64/781906964.db2.gz IVPLSRNIBGEROH-FQEVSTJZSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086755714 784245864 /nfs/dbraw/zinc/24/58/64/784245864.db2.gz KGHWDKBJPXYECY-JKSUJKDBSA-N 2 0 339.443 2.332 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977782 784928902 /nfs/dbraw/zinc/92/89/02/784928902.db2.gz ZAQXDYSIGKMOGQ-QZTJIDSGSA-N 2 0 329.488 2.253 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794195 785142775 /nfs/dbraw/zinc/14/27/75/785142775.db2.gz ABGSGNDBFDKMIZ-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035835704 785256986 /nfs/dbraw/zinc/25/69/86/785256986.db2.gz ANVKQNMUVDDPDM-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996135960 786075012 /nfs/dbraw/zinc/07/50/12/786075012.db2.gz OCRLHWODIBAZAJ-CQSZACIVSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001036312643 786188103 /nfs/dbraw/zinc/18/81/03/786188103.db2.gz QKXJKEJXSUMHQL-DOTOQJQBSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001036600326 786850149 /nfs/dbraw/zinc/85/01/49/786850149.db2.gz YNEUAIUHPHVSBB-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107425566 787203569 /nfs/dbraw/zinc/20/35/69/787203569.db2.gz CGXWEIDIKXJTEK-JFIYKMOQSA-N 2 0 325.472 2.213 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996730390 787329742 /nfs/dbraw/zinc/32/97/42/787329742.db2.gz SAXIEARMJFBKCK-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132889 789055491 /nfs/dbraw/zinc/05/54/91/789055491.db2.gz QYGFBUHPCXQWDN-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000997188628 789388036 /nfs/dbraw/zinc/38/80/36/789388036.db2.gz SXFPCTSXOOYIBK-WBVHZDCISA-N 2 0 330.476 2.238 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001171162381 789577428 /nfs/dbraw/zinc/57/74/28/789577428.db2.gz WLGHEVNNESKXHJ-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCN1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000923584748 789827874 /nfs/dbraw/zinc/82/78/74/789827874.db2.gz XDMJSOBFIZRWRP-IBGZPJMESA-N 2 0 325.456 2.110 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796735 806005264 /nfs/dbraw/zinc/00/52/64/806005264.db2.gz CBTJARYJBACQMJ-YRXWBPOGSA-N 2 0 349.519 2.175 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001146341451 791213507 /nfs/dbraw/zinc/21/35/07/791213507.db2.gz YMPPTTQBMPBGNZ-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998091503 791946219 /nfs/dbraw/zinc/94/62/19/791946219.db2.gz BYPCOTFIJGXQNR-GBESFXJTSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001040701411 792379262 /nfs/dbraw/zinc/37/92/62/792379262.db2.gz JXSOSGRTZSFMII-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902741 806179263 /nfs/dbraw/zinc/17/92/63/806179263.db2.gz YNLNLERPNDYMCK-NBMJBFSESA-N 2 0 349.519 2.173 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927107 793006204 /nfs/dbraw/zinc/00/62/04/793006204.db2.gz SEVNIVYOPDJBMQ-QGZVFWFLSA-N 2 0 331.504 2.197 20 30 EEEDRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998992920 793661998 /nfs/dbraw/zinc/66/19/98/793661998.db2.gz BRIARXABTOCKDH-CTWPCTMYSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092610202 794142542 /nfs/dbraw/zinc/14/25/42/794142542.db2.gz PIBJMPDJLOMIPB-GUDVDZBRSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092657957 794204677 /nfs/dbraw/zinc/20/46/77/794204677.db2.gz AAMNSYBUYDHNSP-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676850 794223728 /nfs/dbraw/zinc/22/37/28/794223728.db2.gz MXUVANBKAQFMMN-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540449 794436196 /nfs/dbraw/zinc/43/61/96/794436196.db2.gz XEJAWTPCROLKOD-ZVDOUQERSA-N 2 0 345.531 2.491 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999506871 794557847 /nfs/dbraw/zinc/55/78/47/794557847.db2.gz CFEKXEUIDTWVEG-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120303 794652672 /nfs/dbraw/zinc/65/26/72/794652672.db2.gz GBTFPEWNPUNHGG-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976751 795125753 /nfs/dbraw/zinc/12/57/53/795125753.db2.gz ZTHJMJJXLGAIBX-HOTGVXAUSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803910 797031728 /nfs/dbraw/zinc/03/17/28/797031728.db2.gz JVPSOQXACGGVCB-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015704499 797386151 /nfs/dbraw/zinc/38/61/51/797386151.db2.gz AEYIEFGRNHZDMV-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175057235 797965529 /nfs/dbraw/zinc/96/55/29/797965529.db2.gz XJAVFXLZDZVKGI-ZDUSSCGKSA-N 2 0 334.302 2.111 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001031435144 798403954 /nfs/dbraw/zinc/40/39/54/798403954.db2.gz QWGDDMVVRKCQLL-QZTJIDSGSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089405943 798415898 /nfs/dbraw/zinc/41/58/98/798415898.db2.gz FLFOFSXTZPLFBF-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566144 798500102 /nfs/dbraw/zinc/50/01/02/798500102.db2.gz YTTPIMAMKSWLMZ-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957650 798576618 /nfs/dbraw/zinc/57/66/18/798576618.db2.gz MQMFWQZGVYXFFN-QRVBRYPASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001177319475 798858959 /nfs/dbraw/zinc/85/89/59/798858959.db2.gz MPQCLKSHHCATEO-HXUWFJFHSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085307349 800342913 /nfs/dbraw/zinc/34/29/13/800342913.db2.gz SIBHAUMCOZAYEQ-QRVBRYPASA-N 2 0 331.504 2.434 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181721053 800879244 /nfs/dbraw/zinc/87/92/44/800879244.db2.gz WLNKGAXZPHCHMT-QWFCFKBJSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001184496613 802037098 /nfs/dbraw/zinc/03/70/98/802037098.db2.gz DJXKBKBGMRZUBN-CABCVRRESA-N 2 0 333.501 2.131 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004524868 802293437 /nfs/dbraw/zinc/29/34/37/802293437.db2.gz XPADBHWBSJLEDO-IHPCNDPISA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185060156 802307764 /nfs/dbraw/zinc/30/77/64/802307764.db2.gz FDFGUYNDVLNVKM-BBRMVZONSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205213 802491287 /nfs/dbraw/zinc/49/12/87/802491287.db2.gz GEVCNAMCZIXAFB-LULLPPNCSA-N 2 0 327.472 2.002 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217083 802520462 /nfs/dbraw/zinc/52/04/62/802520462.db2.gz NDTIMGULEJYQAL-OWCLPIDISA-N 2 0 327.900 2.486 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828256 804571888 /nfs/dbraw/zinc/57/18/88/804571888.db2.gz JNPLRVFQORQOJG-FHWLQOOXSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109359286 805359060 /nfs/dbraw/zinc/35/90/60/805359060.db2.gz FPGVLXJGHCAMKZ-QZWWFDLISA-N 2 0 325.472 2.354 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001086595689 809097520 /nfs/dbraw/zinc/09/75/20/809097520.db2.gz OFFOBRMKYDOPBM-IPMKNSEASA-N 2 0 327.472 2.241 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001129428899 810828863 /nfs/dbraw/zinc/82/88/63/810828863.db2.gz AQSRKQFGBDRVSD-IBGZPJMESA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430538 811629055 /nfs/dbraw/zinc/62/90/55/811629055.db2.gz CBABBBMLTKVXOL-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001438729092 1091267258 /nfs/dbraw/zinc/26/72/58/1091267258.db2.gz VCAKENSMTGUWCM-RTBURBONSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001446950196 1101644802 /nfs/dbraw/zinc/64/48/02/1101644802.db2.gz UMGBEQSFBWAGOO-HZPDHXFCSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001446950199 1101645889 /nfs/dbraw/zinc/64/58/89/1101645889.db2.gz UMGBEQSFBWAGOO-JKSUJKDBSA-N 2 0 327.900 2.442 20 30 EEEDRP CN(C(=O)C[N@H+](C)C1CCC1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001508115716 1115422641 /nfs/dbraw/zinc/42/26/41/1115422641.db2.gz SOLYGTQASFPBEC-UHFFFAOYSA-N 2 0 340.471 2.122 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000424128868 240841896 /nfs/dbraw/zinc/84/18/96/240841896.db2.gz CPHBSLKRIYAYCD-KRWDZBQOSA-N 2 0 348.878 2.442 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000487746983 285281165 /nfs/dbraw/zinc/28/11/65/285281165.db2.gz DXIBDFLKHCLDOR-AWEZNQCLSA-N 2 0 334.489 2.108 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879080 465075346 /nfs/dbraw/zinc/07/53/46/465075346.db2.gz LCUACGSMEYKWMK-RYQLBKOJSA-N 2 0 331.460 2.103 20 30 EEEDRP CC[NH+]=C(NCc1ncc(CC)s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000130719404 462772238 /nfs/dbraw/zinc/77/22/38/462772238.db2.gz YJAXZVAAWVEEBX-AWEZNQCLSA-N 2 0 333.505 2.117 20 30 EEEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158724987 463249352 /nfs/dbraw/zinc/24/93/52/463249352.db2.gz ZNXAHJTYEGEUDL-GVDBMIGSSA-N 2 0 332.492 2.134 20 30 EEEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH+](C)CC1 ZINC000161790291 463457478 /nfs/dbraw/zinc/45/74/78/463457478.db2.gz YTYRZPCJKSZBPU-OAHLLOKOSA-N 2 0 327.476 2.242 20 30 EEEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081566 464280927 /nfs/dbraw/zinc/28/09/27/464280927.db2.gz HPBXNTQFBABLRI-KRWDZBQOSA-N 2 0 331.508 2.304 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+](C)C(C)C ZINC000264084357 464281007 /nfs/dbraw/zinc/28/10/07/464281007.db2.gz JGQHAYOLAJDVPE-IBGZPJMESA-N 3 0 345.535 2.415 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895587 464375759 /nfs/dbraw/zinc/37/57/59/464375759.db2.gz VOXGJJMCQRYDNM-WOJBJXKFSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CC[N@@H+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984933 464670660 /nfs/dbraw/zinc/67/06/60/464670660.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 0 349.906 2.256 20 30 EEEDRP C#CC[N@@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984913 464670798 /nfs/dbraw/zinc/67/07/98/464670798.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 0 349.906 2.256 20 30 EEEDRP CCCCNC(=[NH2+])NCc1ccc(CNC(=[NH2+])NCCCC)cc1 ZINC000274148829 464735934 /nfs/dbraw/zinc/73/59/34/464735934.db2.gz BUIKXLYMWCVXHP-UHFFFAOYSA-N 2 0 332.496 2.095 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000368531341 466661920 /nfs/dbraw/zinc/66/19/20/466661920.db2.gz UTIPAKFZDDHHNX-KZNAEPCWSA-N 2 0 335.492 2.270 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000422163372 466668306 /nfs/dbraw/zinc/66/83/06/466668306.db2.gz FPWGHRGWWHZNCZ-QZTJIDSGSA-N 2 0 336.524 2.421 20 30 EEEDRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC(C)(C)[NH2+]1 ZINC000530232934 467966456 /nfs/dbraw/zinc/96/64/56/467966456.db2.gz MOWPSOYHYCUERP-MRXNPFEDSA-N 2 0 331.460 2.197 20 30 EEEDRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722502 468634806 /nfs/dbraw/zinc/63/48/06/468634806.db2.gz GLHRFAQADFIDMU-FUHWJXTLSA-N 2 0 333.476 2.254 20 30 EEEDRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593354119 468948427 /nfs/dbraw/zinc/94/84/27/468948427.db2.gz MELPXGHAJVHUKR-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCCC1 ZINC000574032831 469248625 /nfs/dbraw/zinc/24/86/25/469248625.db2.gz YFJJPUHBUOXOKW-HKUYNNGSSA-N 2 0 345.487 2.204 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1 ZINC001020679208 675402683 /nfs/dbraw/zinc/40/26/83/675402683.db2.gz LHTZEAREGWDMTB-WGSAOQKQSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021087809 675714734 /nfs/dbraw/zinc/71/47/34/675714734.db2.gz IAJBGCOKTHBHLV-LNMJFAINSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039249540 676266040 /nfs/dbraw/zinc/26/60/40/676266040.db2.gz BIVJHEWPXXCLTF-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740860 676400251 /nfs/dbraw/zinc/40/02/51/676400251.db2.gz WTLDJJQLFZVEMB-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001023273605 679223084 /nfs/dbraw/zinc/22/30/84/679223084.db2.gz OEZKKYBPPHUYKQ-RHSMWYFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479949 679963015 /nfs/dbraw/zinc/96/30/15/679963015.db2.gz VEJDERXIJPGGRP-MOPGFXCFSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028600821 681347305 /nfs/dbraw/zinc/34/73/05/681347305.db2.gz DWHHHZXFZAGJGY-MOPGFXCFSA-N 2 0 329.488 2.023 20 30 EEEDRP CC[NH+](CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]C)C1 ZINC000261849032 681745653 /nfs/dbraw/zinc/74/56/53/681745653.db2.gz WZVDRDSFQHDMJK-XMTFNYHQSA-N 2 0 348.535 2.326 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597493 683080979 /nfs/dbraw/zinc/08/09/79/683080979.db2.gz RAIMEWQOAOQZKO-CABCVRRESA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC000978616664 693750865 /nfs/dbraw/zinc/75/08/65/693750865.db2.gz PJBXNCZPCPCKPV-LUKYLMHMSA-N 2 0 339.911 2.155 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001026293040 684209573 /nfs/dbraw/zinc/20/95/73/684209573.db2.gz YQMWDDHIFORGNH-RCCFBDPRSA-N 2 0 331.504 2.265 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352099 688524354 /nfs/dbraw/zinc/52/43/54/688524354.db2.gz FTNOZZPBICCPFK-DYVFJYSZSA-N 2 0 346.500 2.183 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989170484 691491095 /nfs/dbraw/zinc/49/10/95/691491095.db2.gz OUBGMSSVACHGNK-CABCVRRESA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241290 692086230 /nfs/dbraw/zinc/08/62/30/692086230.db2.gz MWFCFJBALDUZTG-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC000989829585 692356604 /nfs/dbraw/zinc/35/66/04/692356604.db2.gz UJSRNRMMFSMMNW-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000977659808 692889895 /nfs/dbraw/zinc/88/98/95/692889895.db2.gz YETWJJYPAOSMPU-SJLPKXTDSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000899025002 693571259 /nfs/dbraw/zinc/57/12/59/693571259.db2.gz XVTVCJIEJGCIEI-UHFFFAOYSA-N 2 0 348.450 2.209 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088019 1193361485 /nfs/dbraw/zinc/36/14/85/1193361485.db2.gz ABCOSHMBAMUZDV-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001484069277 1191195772 /nfs/dbraw/zinc/19/57/72/1191195772.db2.gz YGJYBFDGCOQXHG-FQEVSTJZSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001484571831 1191424663 /nfs/dbraw/zinc/42/46/63/1191424663.db2.gz JZVAAUOTKWFNDU-FVQBIDKESA-N 2 0 327.900 2.345 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001484728012 1191487477 /nfs/dbraw/zinc/48/74/77/1191487477.db2.gz XPAXGMVPDCWQPB-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808958 1194416557 /nfs/dbraw/zinc/41/65/57/1194416557.db2.gz VFNOBUQUCSJKMF-SLFFLAALSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001034047082 1195699087 /nfs/dbraw/zinc/69/90/87/1195699087.db2.gz YHABYDAHSQZONF-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405081 1196197932 /nfs/dbraw/zinc/19/79/32/1196197932.db2.gz NWZNMRLYQPGYRR-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C[NH+](C)CC1(CN2CCC[C@]23CCN(CCCC#N)C3=O)CCCC1 ZINC001273137358 1196728583 /nfs/dbraw/zinc/72/85/83/1196728583.db2.gz RGZOAXUSPKXHCY-HXUWFJFHSA-N 2 0 346.519 2.479 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001034792965 1196736285 /nfs/dbraw/zinc/73/62/85/1196736285.db2.gz PTJCBGQGVWLOFS-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001410939055 1198610183 /nfs/dbraw/zinc/61/01/83/1198610183.db2.gz IOXAYGFZTQPQMZ-LSDHHAIUSA-N 2 0 348.516 2.336 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582989 1199672238 /nfs/dbraw/zinc/67/22/38/1199672238.db2.gz CNVKFUORBAYHKH-QZTJIDSGSA-N 2 0 341.499 2.395 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613935 1199690511 /nfs/dbraw/zinc/69/05/11/1199690511.db2.gz YYGYXYQCQFHXHS-HOTGVXAUSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607827 1199700264 /nfs/dbraw/zinc/70/02/64/1199700264.db2.gz MFNDXNWYCPUIOI-KBPBESRZSA-N 2 0 348.516 2.477 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001134780430 1199809336 /nfs/dbraw/zinc/80/93/36/1199809336.db2.gz GLYCCEYDYCEENV-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001132736899 1199964274 /nfs/dbraw/zinc/96/42/74/1199964274.db2.gz FNAZWALWWJRPOU-QGZVFWFLSA-N 2 0 346.450 2.025 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001274921056 1205207399 /nfs/dbraw/zinc/20/73/99/1205207399.db2.gz YSVNNVRERUCBEH-UHFFFAOYSA-N 2 0 326.488 2.060 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378268 1209101984 /nfs/dbraw/zinc/10/19/84/1209101984.db2.gz SQFDRHWLBRIIPT-IAGOWNOFSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000949531650 1209731129 /nfs/dbraw/zinc/73/11/29/1209731129.db2.gz NVNGDXUXWBHGEK-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000303790382 1213906739 /nfs/dbraw/zinc/90/67/39/1213906739.db2.gz WEAYGDSMIUSEMF-UHFFFAOYSA-N 2 0 348.491 2.373 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000303869982 1213915752 /nfs/dbraw/zinc/91/57/52/1213915752.db2.gz BDCSWHGVEFHNBE-IAGOWNOFSA-N 2 0 344.503 2.311 20 30 EEEDRP [NH2+]=C(NCCc1ccccc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000303873754 1213917325 /nfs/dbraw/zinc/91/73/25/1213917325.db2.gz GWQFLOQCSYWSBE-UHFFFAOYSA-N 2 0 346.544 2.495 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885723 1213920617 /nfs/dbraw/zinc/92/06/17/1213920617.db2.gz JYUWEPPZCAXORR-ROUUACIJSA-N 3 0 337.556 2.132 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957549935 1215202117 /nfs/dbraw/zinc/20/21/17/1215202117.db2.gz CBEHZKAOEXZHKH-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960304322 1216482612 /nfs/dbraw/zinc/48/26/12/1216482612.db2.gz MMPMFQSNDOTAPZ-IEBWSBKVSA-N 2 0 327.472 2.276 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COc1ccccc1OC ZINC000305688143 1216975688 /nfs/dbraw/zinc/97/56/88/1216975688.db2.gz PHWVJQXCRQQIBO-HZPDHXFCSA-N 2 0 348.491 2.099 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180485 1217073835 /nfs/dbraw/zinc/07/38/35/1217073835.db2.gz HKESATFYSWNGAI-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233206 1217100820 /nfs/dbraw/zinc/10/08/20/1217100820.db2.gz UTVSOAVFBLSZDU-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374151 1217162867 /nfs/dbraw/zinc/16/28/67/1217162867.db2.gz JWJYSCBNNKSHDD-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377981 1217165463 /nfs/dbraw/zinc/16/54/63/1217165463.db2.gz JJRATWNIPVTAPF-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411336 1217179602 /nfs/dbraw/zinc/17/96/02/1217179602.db2.gz LSVQDLHNSSXCKV-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963801342 1218045632 /nfs/dbraw/zinc/04/56/32/1218045632.db2.gz RMNPZVOSOMBYHI-YYIRHMBSSA-N 2 0 331.504 2.454 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1CC ZINC001037966689 1220796189 /nfs/dbraw/zinc/79/61/89/1220796189.db2.gz MLZIMUZSPFFAPQ-WBVHZDCISA-N 2 0 339.443 2.284 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681633 1221487602 /nfs/dbraw/zinc/48/76/02/1221487602.db2.gz KVCRTFIBEQBCBL-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016929254 1226977507 /nfs/dbraw/zinc/97/75/07/1226977507.db2.gz DINDIHHVBKQYEH-KRWDZBQOSA-N 2 0 328.460 2.308 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001020250828 1229583107 /nfs/dbraw/zinc/58/31/07/1229583107.db2.gz SXBYHNBQVIHCSF-ZULIPRJHSA-N 2 0 337.467 2.008 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133872 1230345016 /nfs/dbraw/zinc/34/50/16/1230345016.db2.gz LRMFMIIVMAAVOS-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039144837 1230363379 /nfs/dbraw/zinc/36/33/79/1230363379.db2.gz NXQBFRVAZXGBQY-KRWDZBQOSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182212 1230409787 /nfs/dbraw/zinc/40/97/87/1230409787.db2.gz LCSHGQDUMBINOU-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039233239 1230466158 /nfs/dbraw/zinc/46/61/58/1230466158.db2.gz JJEUXDYOKCMTQZ-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474238 1230638314 /nfs/dbraw/zinc/63/83/14/1230638314.db2.gz YJHYFCXHWBUBJP-MOPGFXCFSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453016 1231242120 /nfs/dbraw/zinc/24/21/20/1231242120.db2.gz MATFTZREYXJHLX-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CC[C@H](C)F)C3)C2)CC1 ZINC001041844327 1231727594 /nfs/dbraw/zinc/72/75/94/1231727594.db2.gz GVJVAYQYCQJCGA-PXNSSMCTSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CC=C(C)C)C3)C2)CC1 ZINC001041845085 1231728082 /nfs/dbraw/zinc/72/80/82/1231728082.db2.gz SIFWWMHYEHPPDB-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297650 1232012953 /nfs/dbraw/zinc/01/29/53/1232012953.db2.gz STVLWJSBPODAAI-IEBWSBKVSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCCC)[C@@H]3C2)CC1 ZINC001042368222 1232049970 /nfs/dbraw/zinc/04/99/70/1232049970.db2.gz OVKZJCWIJQICNN-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC001044335994 1232879779 /nfs/dbraw/zinc/87/97/79/1232879779.db2.gz UHNDQLUBNDHBNV-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001044879131 1233339096 /nfs/dbraw/zinc/33/90/96/1233339096.db2.gz OANIDWJANMKMFE-CVEARBPZSA-N 2 0 331.460 2.337 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673624 1233899466 /nfs/dbraw/zinc/89/94/66/1233899466.db2.gz VTZRCYNPYYGQQA-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970197 1234253456 /nfs/dbraw/zinc/25/34/56/1234253456.db2.gz CMNUEBNDOCQSPO-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001046849785 1235247351 /nfs/dbraw/zinc/24/73/51/1235247351.db2.gz JBHCQKXHHSWMBB-OAQYLSRUSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCC2)C3)CC1 ZINC001047208553 1235672142 /nfs/dbraw/zinc/67/21/42/1235672142.db2.gz IUMXXORFDCTDHX-IHPCNDPISA-N 2 0 343.515 2.101 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047256214 1235759746 /nfs/dbraw/zinc/75/97/46/1235759746.db2.gz ICOGNVGSVRBGBV-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263499 1235772605 /nfs/dbraw/zinc/77/26/05/1235772605.db2.gz HOOBPVXEAYBVIW-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003350 1239715986 /nfs/dbraw/zinc/71/59/86/1239715986.db2.gz JEZLHZVANSXCSD-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000261555 1240109521 /nfs/dbraw/zinc/10/95/21/1240109521.db2.gz OPGDIHFIIZBDJP-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172228 1240175764 /nfs/dbraw/zinc/17/57/64/1240175764.db2.gz VKDHABNYJIRKBN-AKHDSKFASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]3C2)CC1 ZINC001049234580 1240339928 /nfs/dbraw/zinc/33/99/28/1240339928.db2.gz FNCKLIFHFRDQJM-KDURUIRLSA-N 2 0 345.531 2.158 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687738 1240737602 /nfs/dbraw/zinc/73/76/02/1240737602.db2.gz HTTRHWWHRXSPSY-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049523785 1241241013 /nfs/dbraw/zinc/24/10/13/1241241013.db2.gz HDZOZXDFRPPVRW-IPMKNSEASA-N 2 0 331.504 2.338 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049716998 1241977848 /nfs/dbraw/zinc/97/78/48/1241977848.db2.gz BYUGJPWXVXNHHN-MBOZVWFJSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913591 1242678304 /nfs/dbraw/zinc/67/83/04/1242678304.db2.gz DDMBRQBHIKZUBX-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049928054 1242749813 /nfs/dbraw/zinc/74/98/13/1242749813.db2.gz ZZQLDHGRRPKEFP-ROUUACIJSA-N 2 0 343.471 2.434 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC(=C)C)C[C@H]32)CC1 ZINC001050208582 1243125502 /nfs/dbraw/zinc/12/55/02/1243125502.db2.gz OKCHIRFNWGJIDC-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC001050520755 1243776742 /nfs/dbraw/zinc/77/67/42/1243776742.db2.gz JMFGJMAUVAKWBX-SFHVURJKSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686821 1244126961 /nfs/dbraw/zinc/12/69/61/1244126961.db2.gz CMXJFDHVBRYNBQ-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=C)Cl)CC2)CC1 ZINC001052957837 1245554508 /nfs/dbraw/zinc/55/45/08/1245554508.db2.gz JJZLCVOPRVYIRG-QGZVFWFLSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001099106930 1257970345 /nfs/dbraw/zinc/97/03/45/1257970345.db2.gz SDBGWDMHXLPKSH-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771643 1280493030 /nfs/dbraw/zinc/49/30/30/1280493030.db2.gz PSAZSRFSRQQANO-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(CC)CC)C2)CC1 ZINC001194247795 1282956924 /nfs/dbraw/zinc/95/69/24/1282956924.db2.gz ZPQHRWKBAUBGAH-LJQANCHMSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711416 1283886614 /nfs/dbraw/zinc/88/66/14/1283886614.db2.gz CWGUTUCJOJVMJZ-TZIWHRDSSA-N 2 0 341.499 2.442 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463307 1297180021 /nfs/dbraw/zinc/18/00/21/1297180021.db2.gz CSKANSVMZDGBBE-TZMCWYRMSA-N 2 0 346.313 2.063 20 30 EEEDRP C[NH+]1CCN(c2cc(Nc3cnc(C#N)c(Cl)c3)cc[nH+]2)CC1 ZINC001201657564 1289721139 /nfs/dbraw/zinc/72/11/39/1289721139.db2.gz KLCROVPNXSNANW-UHFFFAOYSA-N 2 0 328.807 2.497 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001202316241 1289954762 /nfs/dbraw/zinc/95/47/62/1289954762.db2.gz RZJUNGNJUYLLPZ-UHFFFAOYSA-N 2 0 347.890 2.224 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974135 1295057992 /nfs/dbraw/zinc/05/79/92/1295057992.db2.gz KYUDSRPIBKWNGY-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)CC1 ZINC001211233431 1295772025 /nfs/dbraw/zinc/77/20/25/1295772025.db2.gz FEQGZALNHGOBCG-SFHVURJKSA-N 2 0 337.483 2.052 20 30 EEEDRP C#CCC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478684 1297119727 /nfs/dbraw/zinc/11/97/27/1297119727.db2.gz TXUMCBKWIGITNM-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP N#Cc1c(NC(=O)[C@@]2([NH3+])CCc3ccccc32)sc2c1CC[NH2+]C2 ZINC001218555230 1297711356 /nfs/dbraw/zinc/71/13/56/1297711356.db2.gz YTQDLCOYMSELOJ-GOSISDBHSA-N 2 0 338.436 2.004 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218820185 1297811386 /nfs/dbraw/zinc/81/13/86/1297811386.db2.gz ZNOMXGJYABDVMO-ZWKOTPCHSA-N 2 0 339.524 2.210 20 30 EEEDRP N#Cc1cc(F)c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(Cl)c1 ZINC001218994641 1297897978 /nfs/dbraw/zinc/89/79/78/1297897978.db2.gz JOKSDKOMMWRDHU-CYBMUJFWSA-N 2 0 336.798 2.163 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824746 1298320671 /nfs/dbraw/zinc/32/06/71/1298320671.db2.gz OMAOIHHULHEVAW-JYJNAYRXSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(Cc2cccc(C)c2)CCC[NH2+]1 ZINC001220868659 1298566608 /nfs/dbraw/zinc/56/66/08/1298566608.db2.gz NVHQRZAUKQABHL-FPOVZHCZSA-N 2 0 341.499 2.426 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942427 1299215665 /nfs/dbraw/zinc/21/56/65/1299215665.db2.gz LLAUMYQOUXHXPN-GUDVDZBRSA-N 2 0 327.472 2.398 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228206613 1302155863 /nfs/dbraw/zinc/15/58/63/1302155863.db2.gz LDYJFSRFGKXXCX-IAGOWNOFSA-N 2 0 349.475 2.174 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228602313 1302333284 /nfs/dbraw/zinc/33/32/84/1302333284.db2.gz HOULVSDKQFKACD-GPMSIDNRSA-N 2 0 337.483 2.239 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360393 1302814847 /nfs/dbraw/zinc/81/48/47/1302814847.db2.gz BYUCRLPYDQZFOS-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257271 1303129566 /nfs/dbraw/zinc/12/95/66/1303129566.db2.gz NZCVEHOJQSINRH-QZTJIDSGSA-N 2 0 337.508 2.082 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H](C)CCC=C)CC2)CC1 ZINC001230344713 1303172287 /nfs/dbraw/zinc/17/22/87/1303172287.db2.gz IIOYYZTWCANUQY-QGZVFWFLSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846837 1303498591 /nfs/dbraw/zinc/49/85/91/1303498591.db2.gz YOTNULVXAWTFQW-SFHVURJKSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CC[N@H+](CCCNC(=O)CCC[NH+]1CCCC1)Cc1cccnc1 ZINC001230931785 1303550428 /nfs/dbraw/zinc/55/04/28/1303550428.db2.gz FPFKJNQRAMDZOG-UHFFFAOYSA-N 2 0 344.503 2.452 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112111279 1304249520 /nfs/dbraw/zinc/24/95/20/1304249520.db2.gz ORIFPFZNVXAMHD-KFWWJZLASA-N 2 0 347.425 2.416 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112116965 1304254684 /nfs/dbraw/zinc/25/46/84/1304254684.db2.gz KTUHHNQARJROEZ-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3c2CCN3)CC1 ZINC001236432545 1305578251 /nfs/dbraw/zinc/57/82/51/1305578251.db2.gz AFYAANSKJMVHNS-UHFFFAOYSA-N 2 0 340.515 2.446 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423412 1309526688 /nfs/dbraw/zinc/52/66/88/1309526688.db2.gz UHGVFZPLOCBKAB-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202977293 1314780964 /nfs/dbraw/zinc/78/09/64/1314780964.db2.gz CGYOXAMBMDNXAC-CVEARBPZSA-N 2 0 345.512 2.464 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150394445 1316254019 /nfs/dbraw/zinc/25/40/19/1316254019.db2.gz JFFZJLQIYLJRTK-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731848 1316357084 /nfs/dbraw/zinc/35/70/84/1316357084.db2.gz SFZRTLVJWMQVLO-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023236 1317422510 /nfs/dbraw/zinc/42/25/10/1317422510.db2.gz AXSSYQTXSFOWRR-GOSISDBHSA-N 2 0 341.499 2.207 20 30 EEEDRP C=CCOC[C@@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001252450943 1317604101 /nfs/dbraw/zinc/60/41/01/1317604101.db2.gz JVOHWHJVEQHOGS-FQEVSTJZSA-N 2 0 332.488 2.442 20 30 EEEDRP C=CCC[C@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001252615592 1317646972 /nfs/dbraw/zinc/64/69/72/1317646972.db2.gz AOAHJWYRLGBGNA-FQEVSTJZSA-N 2 0 331.504 2.241 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC#Cc1ccc(F)cc1 ZINC001156525444 1318052902 /nfs/dbraw/zinc/05/29/02/1318052902.db2.gz ORSPIJNUYUATSL-QGZVFWFLSA-N 2 0 347.478 2.346 20 30 EEEDRP CC[C@H](CC#N)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001255152560 1318305157 /nfs/dbraw/zinc/30/51/57/1318305157.db2.gz XMHUCFKKIASOGO-QZTJIDSGSA-N 2 0 342.487 2.083 20 30 EEEDRP C[NH+]1CCC(N(c2nccc(Cl)c2C#N)C2CC[NH2+]CC2)CC1 ZINC001158575408 1319316481 /nfs/dbraw/zinc/31/64/81/1319316481.db2.gz OPAVXZVQOUUMNS-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160546737 1320192851 /nfs/dbraw/zinc/19/28/51/1320192851.db2.gz WXJNHJNZNBXVQV-UHFFFAOYSA-N 2 0 340.471 2.070 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001161250744 1320434785 /nfs/dbraw/zinc/43/47/85/1320434785.db2.gz DOMIYQUXXBBWAZ-UHFFFAOYSA-N 2 0 334.439 2.024 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001162747187 1320948705 /nfs/dbraw/zinc/94/87/05/1320948705.db2.gz OOMNSPPTEGPGBK-LJQANCHMSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001162911058 1320986111 /nfs/dbraw/zinc/98/61/11/1320986111.db2.gz DNFUUCUYXGFIQP-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001162928066 1320989791 /nfs/dbraw/zinc/98/97/91/1320989791.db2.gz CPZKISHGBZOJGJ-HXUWFJFHSA-N 2 0 343.515 2.401 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162935175 1320991233 /nfs/dbraw/zinc/99/12/33/1320991233.db2.gz SBBFAADZGKVLCZ-IBGZPJMESA-N 2 0 329.488 2.011 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742241 1321952159 /nfs/dbraw/zinc/95/21/59/1321952159.db2.gz MNJBHHUUUORHEU-MSOLQXFVSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206948083 1323733496 /nfs/dbraw/zinc/73/34/96/1323733496.db2.gz UIXWKNLCXOQXTO-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952381 1323738332 /nfs/dbraw/zinc/73/83/32/1323738332.db2.gz MLMLTLVECDLYIH-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+]1CCC(C)(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001208114042 1324322098 /nfs/dbraw/zinc/32/20/98/1324322098.db2.gz QALIPLWEJWVYEJ-UHFFFAOYSA-N 2 0 327.476 2.197 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(CCc3ccc(C#N)cc3)CC2)CC1 ZINC001208929391 1324722819 /nfs/dbraw/zinc/72/28/19/1324722819.db2.gz PPQNQDRBIUJYNA-UHFFFAOYSA-N 2 0 326.488 2.060 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001341717736 1337296535 /nfs/dbraw/zinc/29/65/35/1337296535.db2.gz VSKFRAGITGQEOO-QZTJIDSGSA-N 2 0 339.524 2.245 20 30 EEEDRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575627020 1343847557 /nfs/dbraw/zinc/84/75/57/1343847557.db2.gz GVDQGZGNSJPFPO-LJQANCHMSA-N 2 0 342.487 2.356 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633830 1370900832 /nfs/dbraw/zinc/90/08/32/1370900832.db2.gz HVFVBZVUZSLGFB-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000838586919 1372853383 /nfs/dbraw/zinc/85/33/83/1372853383.db2.gz JEFJFCPINWBBNU-PKOBYXMFSA-N 2 0 344.503 2.241 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001378893655 1380243495 /nfs/dbraw/zinc/24/34/95/1380243495.db2.gz COANXJOPRSNMJD-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP CN(CCNC(=O)CCC[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001390858893 1388826778 /nfs/dbraw/zinc/82/67/78/1388826778.db2.gz QIVLDLGWORYDAK-UHFFFAOYSA-N 2 0 346.450 2.121 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001392594542 1390108636 /nfs/dbraw/zinc/10/86/36/1390108636.db2.gz VBAWDNTUXBZOHM-AWEZNQCLSA-N 2 0 348.466 2.270 20 30 EEEDRP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001392973555 1390270348 /nfs/dbraw/zinc/27/03/48/1390270348.db2.gz CIKYKENNGYVVIH-INIZCTEOSA-N 2 0 339.911 2.394 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001394533104 1390723400 /nfs/dbraw/zinc/72/34/00/1390723400.db2.gz GSMDDJMVNUELLN-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001398732630 1394169681 /nfs/dbraw/zinc/16/96/81/1394169681.db2.gz NXQFDAIKHBEOEV-INIZCTEOSA-N 2 0 327.900 2.443 20 30 EEEDRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141704 1396975878 /nfs/dbraw/zinc/97/58/78/1396975878.db2.gz VFRGNVOPRLGDIJ-KDOFPFPSSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001401302365 1397136418 /nfs/dbraw/zinc/13/64/18/1397136418.db2.gz VUGMCJHNVRUBKB-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001401385341 1397217160 /nfs/dbraw/zinc/21/71/60/1397217160.db2.gz JDXJBJBHTSRASV-GOSISDBHSA-N 2 0 330.476 2.035 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001402066401 1397743984 /nfs/dbraw/zinc/74/39/84/1397743984.db2.gz RGDRTXWHHBTGFL-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001754946800 1407009301 /nfs/dbraw/zinc/00/93/01/1407009301.db2.gz XOBMXCYGOPYEGO-UHFFFAOYSA-N 2 0 341.499 2.490 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCC1 ZINC001754987153 1407019752 /nfs/dbraw/zinc/01/97/52/1407019752.db2.gz IOWLMZZNYIUYJW-UHFFFAOYSA-N 2 0 327.472 2.056 20 30 EEEDRP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755360156 1407358179 /nfs/dbraw/zinc/35/81/79/1407358179.db2.gz SEPMSAFAJZYQMS-APWZRJJASA-N 2 0 339.499 2.487 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2CC)CC1 ZINC001087839213 782349679 /nfs/dbraw/zinc/34/96/79/782349679.db2.gz PYIRLOZBIOUKEN-VQTJNVASSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001091305449 790283550 /nfs/dbraw/zinc/28/35/50/790283550.db2.gz GFJBJKWIQOYEQM-UHFFFAOYSA-N 2 0 327.900 2.344 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104621564 762061364 /nfs/dbraw/zinc/06/13/64/762061364.db2.gz GWEQGUCOGUFLNJ-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167486753 759879225 /nfs/dbraw/zinc/87/92/25/759879225.db2.gz PTBVWHDCDOJHJB-UHFFFAOYSA-N 2 0 346.313 2.113 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075454044 760708919 /nfs/dbraw/zinc/70/89/19/760708919.db2.gz JWYOKMQLFAWZNN-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454088 760709069 /nfs/dbraw/zinc/70/90/69/760709069.db2.gz KTWKWOTZRZMSLM-YLJYHZDGSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 ZINC001075458763 760850599 /nfs/dbraw/zinc/85/05/99/760850599.db2.gz PFIOAVOYDSPCNN-KRWDZBQOSA-N 2 0 342.487 2.316 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020744 764798783 /nfs/dbraw/zinc/79/87/83/764798783.db2.gz YJTARYYCPQWLSX-ICSRJNTNSA-N 2 0 331.504 2.247 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001098605220 765088360 /nfs/dbraw/zinc/08/83/60/765088360.db2.gz GYXAJNHMPVGDLL-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530880 782632778 /nfs/dbraw/zinc/63/27/78/782632778.db2.gz XTNCBJMLOHRCRV-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979712477 770929106 /nfs/dbraw/zinc/92/91/06/770929106.db2.gz MUFBCCJVTXLNPN-GBESFXJTSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166549 783011153 /nfs/dbraw/zinc/01/11/53/783011153.db2.gz HBFVOFVXCHAGIM-QYZOEREBSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089643868 773674248 /nfs/dbraw/zinc/67/42/48/773674248.db2.gz CMJHNPAKPGKGFP-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089869546 783131070 /nfs/dbraw/zinc/13/10/70/783131070.db2.gz LWLVDOBCAVZYKP-VJANTYMQSA-N 2 0 331.504 2.073 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531807 790358305 /nfs/dbraw/zinc/35/83/05/790358305.db2.gz IXONNERSDGYOLS-YLJYHZDGSA-N 2 0 343.471 2.209 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914945 778545867 /nfs/dbraw/zinc/54/58/67/778545867.db2.gz URSSONKEERMWHZ-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116994 779127839 /nfs/dbraw/zinc/12/78/39/779127839.db2.gz WOYHSDCYSYNHGQ-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001105395781 781888516 /nfs/dbraw/zinc/88/85/16/781888516.db2.gz FLEWRYBKRRVYKR-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809742972 783354452 /nfs/dbraw/zinc/35/44/52/783354452.db2.gz OZTZZEIAYMADHO-QGZVFWFLSA-N 2 0 330.476 2.047 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135314634 783597196 /nfs/dbraw/zinc/59/71/96/783597196.db2.gz DSSYGOKZKRTYFX-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001135437050 783766819 /nfs/dbraw/zinc/76/68/19/783766819.db2.gz LDRNBZRUFBUARL-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575045 783901229 /nfs/dbraw/zinc/90/12/29/783901229.db2.gz OMNINOIJEMVWLJ-RTBURBONSA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035201335 784044044 /nfs/dbraw/zinc/04/40/44/784044044.db2.gz UUWAATSAQZUGJX-UHFFFAOYSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035237399 784156669 /nfs/dbraw/zinc/15/66/69/784156669.db2.gz JQLVWSKZMWMWKF-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135744321 784353656 /nfs/dbraw/zinc/35/36/56/784353656.db2.gz ZOQGEFCPFCMDGS-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000818220882 785223236 /nfs/dbraw/zinc/22/32/36/785223236.db2.gz NXQBSBGDNROROY-GOSISDBHSA-N 2 0 343.475 2.177 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001036193347 785964174 /nfs/dbraw/zinc/96/41/74/785964174.db2.gz MLPPNPDFZRTRFN-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485207 787381814 /nfs/dbraw/zinc/38/18/14/787381814.db2.gz OYJNQNCAAYQYSG-SVFBPWRDSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543894 787564747 /nfs/dbraw/zinc/56/47/47/787564747.db2.gz BOIMXHHRUYJMJX-QWFCFKBJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550443 787579052 /nfs/dbraw/zinc/57/90/52/787579052.db2.gz VQSGBDWYSHRCGK-NSISKUIASA-N 2 0 349.494 2.193 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997135049 789067586 /nfs/dbraw/zinc/06/75/86/789067586.db2.gz AZLHATLDALHZMQ-UHFFFAOYSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997192047 789415978 /nfs/dbraw/zinc/41/59/78/789415978.db2.gz UMKZBDQLBVJGBY-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941976 789561477 /nfs/dbraw/zinc/56/14/77/789561477.db2.gz PEEHEGKWVNAWBC-MJGOQNOKSA-N 2 0 337.508 2.033 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001171162382 789577627 /nfs/dbraw/zinc/57/76/27/789577627.db2.gz WLGHEVNNESKXHJ-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905020 789622924 /nfs/dbraw/zinc/62/29/24/789622924.db2.gz YPEGSLVNZJCPHD-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC[C@@H]2C1 ZINC000946904959 789623348 /nfs/dbraw/zinc/62/33/48/789623348.db2.gz VITBOXQGPILKIY-HSALFYBXSA-N 2 0 339.483 2.093 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001147823917 791981973 /nfs/dbraw/zinc/98/19/73/791981973.db2.gz GPUBPNJOPGLMMS-WBVHZDCISA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998189159 792173235 /nfs/dbraw/zinc/17/32/35/792173235.db2.gz LXOKDTHPDCADMO-HZPDHXFCSA-N 2 0 327.900 2.394 20 30 EEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148153879 792193354 /nfs/dbraw/zinc/19/33/54/792193354.db2.gz WYEDTJDLURYBFV-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC000998284425 792464211 /nfs/dbraw/zinc/46/42/11/792464211.db2.gz GWNBDKQXQPDHFY-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086938324 793023031 /nfs/dbraw/zinc/02/30/31/793023031.db2.gz NKUJFQFVAYQDDK-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001086951161 793083009 /nfs/dbraw/zinc/08/30/09/793083009.db2.gz WISRSUSPRSHYOL-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992374731 793867515 /nfs/dbraw/zinc/86/75/15/793867515.db2.gz YFIXOSCFPHFTKR-UYAOXDASSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774017 794354887 /nfs/dbraw/zinc/35/48/87/794354887.db2.gz FNGCYQDLFSTZEE-UKRRQHHQSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854569 794417471 /nfs/dbraw/zinc/41/74/71/794417471.db2.gz PSOOHDSWKAYCOG-SJLPKXTDSA-N 2 0 329.488 2.274 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079309607 794599127 /nfs/dbraw/zinc/59/91/27/794599127.db2.gz HXZKZMJFHMUGNM-QXAKKESOSA-N 2 0 347.478 2.482 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997251 795303684 /nfs/dbraw/zinc/30/36/84/795303684.db2.gz VCIAGKUWJGVMJG-VQIMIIECSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089960120 795619024 /nfs/dbraw/zinc/61/90/24/795619024.db2.gz YOKNQPCOCGRIEV-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430776 796222397 /nfs/dbraw/zinc/22/23/97/796222397.db2.gz WAFVQRAFKBHZNC-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432804 796226547 /nfs/dbraw/zinc/22/65/47/796226547.db2.gz BGBYTCIVIKBYCU-SFHLNBCPSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993631210 796885607 /nfs/dbraw/zinc/88/56/07/796885607.db2.gz MFBIDFAOVSUASQ-FXAWDEMLSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993826442 797056850 /nfs/dbraw/zinc/05/68/50/797056850.db2.gz QCQAFYWIWKHAET-GDBMZVCRSA-N 2 0 332.448 2.039 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082059526 797145968 /nfs/dbraw/zinc/14/59/68/797145968.db2.gz SGNCSEQEKDYXMS-CEXWTWQISA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150332203 797700194 /nfs/dbraw/zinc/70/01/94/797700194.db2.gz GZLJUFFTMCLGDI-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)[C@H]2C)CC1 ZINC000994494876 798094255 /nfs/dbraw/zinc/09/42/55/798094255.db2.gz FWDNIIRKHKWIGA-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403103 798198646 /nfs/dbraw/zinc/19/86/46/798198646.db2.gz FULBMWUXIVCXQT-GUDVDZBRSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)CC1 ZINC001176737979 798542997 /nfs/dbraw/zinc/54/29/97/798542997.db2.gz OJPOCSQEBHPVKP-DIEDAUMRSA-N 2 0 339.911 2.349 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729337 799617895 /nfs/dbraw/zinc/61/78/95/799617895.db2.gz UKZSCOLKFRWUBO-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003624066 799903945 /nfs/dbraw/zinc/90/39/45/799903945.db2.gz KPAYKUXGGMUSKP-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179982882 800197895 /nfs/dbraw/zinc/19/78/95/800197895.db2.gz GBMIUXMBLQFFBY-LPHOPBHVSA-N 2 0 345.462 2.098 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001180270462 800342294 /nfs/dbraw/zinc/34/22/94/800342294.db2.gz WXHCFXBDFSLMPO-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184578224 802079952 /nfs/dbraw/zinc/07/99/52/802079952.db2.gz SJHYEZJNLFAANG-ZFWWWQNUSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498097 802230333 /nfs/dbraw/zinc/23/03/33/802230333.db2.gz MJYIRMWSISMGMT-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221520 802530734 /nfs/dbraw/zinc/53/07/34/802530734.db2.gz XKQFSLWSTLCDDT-QKPAOTATSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742597 802991080 /nfs/dbraw/zinc/99/10/80/802991080.db2.gz CDMNKITYLILYBH-IYBDPMFKSA-N 2 0 331.460 2.311 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001086558374 807208891 /nfs/dbraw/zinc/20/88/91/807208891.db2.gz ISCZVICCSRARGS-SAABIXHNSA-N 2 0 345.512 2.078 20 30 EEEDRP Cc1c(C(=O)NCC[NH2+]CC#Cc2ccccc2)ccc2c[nH+]cn21 ZINC001130656496 811907034 /nfs/dbraw/zinc/90/70/34/811907034.db2.gz SEZLQZBCJSIQOX-UHFFFAOYSA-N 2 0 332.407 2.014 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001440398411 1093579844 /nfs/dbraw/zinc/57/98/44/1093579844.db2.gz RQEJJRWCJWWJTQ-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccccc1C#N ZINC001444890244 1099930003 /nfs/dbraw/zinc/93/00/03/1099930003.db2.gz JEVGFEPOGGPXJP-GOSISDBHSA-N 2 0 342.487 2.130 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232911 1100922364 /nfs/dbraw/zinc/92/23/64/1100922364.db2.gz KBSXIOXUMBJWJK-QUCCMNQESA-N 2 0 340.471 2.027 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232917 1100922845 /nfs/dbraw/zinc/92/28/45/1100922845.db2.gz KBSXIOXUMBJWJK-UYAOXDASSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001496596517 1101197247 /nfs/dbraw/zinc/19/72/47/1101197247.db2.gz BYLMHCVQCPNDGZ-LJQANCHMSA-N 2 0 342.487 2.130 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001507292620 1115177174 /nfs/dbraw/zinc/17/71/74/1115177174.db2.gz LCWUYMGLNUGLSN-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000118868049 221198880 /nfs/dbraw/zinc/19/88/80/221198880.db2.gz OYYDLHLLTDZITI-LJQANCHMSA-N 2 0 340.471 2.327 20 30 EEEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000265526732 287130519 /nfs/dbraw/zinc/13/05/19/287130519.db2.gz OUTPZLPQCSCHQT-HNNXBMFYSA-N 2 0 328.460 2.009 20 30 EEEDRP C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424148472 278361226 /nfs/dbraw/zinc/36/12/26/278361226.db2.gz ULRCTGOQBFBEBH-FUHWJXTLSA-N 2 0 328.460 2.131 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120882435 463050064 /nfs/dbraw/zinc/05/00/64/463050064.db2.gz CYTKTSMDARBKJR-ROUUACIJSA-N 2 0 329.488 2.233 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262401795 464019288 /nfs/dbraw/zinc/01/92/88/464019288.db2.gz NXROKUIOQQJOLU-RDJZCZTQSA-N 2 0 330.476 2.392 20 30 EEEDRP C=CCc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc(OC)c1O ZINC000289409440 464076720 /nfs/dbraw/zinc/07/67/20/464076720.db2.gz HRPADJOLHPKQNM-UHFFFAOYSA-N 2 0 347.503 2.199 20 30 EEEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264086904 464281387 /nfs/dbraw/zinc/28/13/87/464281387.db2.gz JSBNNYYRAZVNPF-UHFFFAOYSA-N 2 0 331.508 2.448 20 30 EEEDRP COc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1C#N ZINC000281797070 464589258 /nfs/dbraw/zinc/58/92/58/464589258.db2.gz UYAITVAJRJZPHX-UHFFFAOYSA-N 2 0 340.427 2.192 20 30 EEEDRP CC(C)[C@H]1C[NH+](CC#CC[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339819369 465530645 /nfs/dbraw/zinc/53/06/45/465530645.db2.gz JIFBOVWNZTZWMN-WOJBJXKFSA-N 2 0 336.520 2.484 20 30 EEEDRP Cn1ccnc1[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000373100606 466693087 /nfs/dbraw/zinc/69/30/87/466693087.db2.gz SOLJPDRBRFLVHP-CYBMUJFWSA-N 2 0 329.429 2.171 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417532238 466877877 /nfs/dbraw/zinc/87/78/77/466877877.db2.gz SSSHJGFWWYCVLT-QGZVFWFLSA-N 2 0 334.508 2.056 20 30 EEEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424139067 466988492 /nfs/dbraw/zinc/98/84/92/466988492.db2.gz DVTPOTNFMROXJC-JFRXWTBNSA-N 2 0 342.487 2.280 20 30 EEEDRP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000599301773 469200573 /nfs/dbraw/zinc/20/05/73/469200573.db2.gz ABXAJFZWPWJWGH-FQEVSTJZSA-N 2 0 326.488 2.467 20 30 EEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000602554402 469358939 /nfs/dbraw/zinc/35/89/39/469358939.db2.gz YKNHEMCLEVVUKC-IAGOWNOFSA-N 2 0 335.492 2.176 20 30 EEEDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000608860516 469883566 /nfs/dbraw/zinc/88/35/66/469883566.db2.gz SEEDZLJSCMQLGE-UHFFFAOYSA-N 2 0 344.503 2.485 20 30 EEEDRP N#CCCNC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127952 577513545 /nfs/dbraw/zinc/51/35/45/577513545.db2.gz GGQAMJODDTUGTH-MOPGFXCFSA-N 2 0 340.471 2.003 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021096361 675728963 /nfs/dbraw/zinc/72/89/63/675728963.db2.gz PAWZPJRFMDOMMW-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001022109056 676658927 /nfs/dbraw/zinc/65/89/27/676658927.db2.gz CPWUUORVOICFJE-ZSYWTGECSA-N 2 0 340.471 2.025 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800483 676812183 /nfs/dbraw/zinc/81/21/83/676812183.db2.gz KCECELYSCYWXEB-PBHICJAKSA-N 2 0 346.500 2.137 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001023671979 679467655 /nfs/dbraw/zinc/46/76/55/679467655.db2.gz QHUZWRCBRGYGHK-INIZCTEOSA-N 2 0 339.443 2.285 20 30 EEEDRP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262843720 679556195 /nfs/dbraw/zinc/55/61/95/679556195.db2.gz XVYIOEFOFSUTTM-NVXWUHKLSA-N 2 0 341.459 2.484 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769851 679579456 /nfs/dbraw/zinc/57/94/56/679579456.db2.gz IKDRWQPQTYNMAZ-MRXNPFEDSA-N 2 0 331.460 2.196 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921827 685308304 /nfs/dbraw/zinc/30/83/04/685308304.db2.gz YAAKKASVQBXZOP-PBHICJAKSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281335 682391236 /nfs/dbraw/zinc/39/12/36/682391236.db2.gz TWMBQZAZIREISY-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974798496 685561976 /nfs/dbraw/zinc/56/19/76/685561976.db2.gz FLKOKFKSSBQHMF-KRWDZBQOSA-N 2 0 339.443 2.284 20 30 EEEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261967238 682679194 /nfs/dbraw/zinc/67/91/94/682679194.db2.gz LTQBQBWEOUOUIF-IBGZPJMESA-N 2 0 336.524 2.329 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627240 683157387 /nfs/dbraw/zinc/15/73/87/683157387.db2.gz ICXSFENOILOZQT-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP COC1CC[NH+](C2(CNC(=[NH2+])N3CCC[C@@H](C)C3)CCCC2)CC1 ZINC000262518567 686714074 /nfs/dbraw/zinc/71/40/74/686714074.db2.gz HOPURHSZFHZWDT-MRXNPFEDSA-N 2 0 336.524 2.457 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001027234153 686870143 /nfs/dbraw/zinc/87/01/43/686870143.db2.gz QOZZTUNXWRPXIR-IBGZPJMESA-N 2 0 345.531 2.350 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303899065 686938242 /nfs/dbraw/zinc/93/82/42/686938242.db2.gz VXNNPJZLSOOMEQ-BBWFWOEESA-N 3 0 337.556 2.132 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332601 687515826 /nfs/dbraw/zinc/51/58/26/687515826.db2.gz OZOXLSHKSUSYFL-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978226794 693393043 /nfs/dbraw/zinc/39/30/43/693393043.db2.gz RKGUFGQMUVLSMS-PHZGNYQRSA-N 2 0 333.501 2.293 20 30 EEEDRP CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC001480863733 1176077741 /nfs/dbraw/zinc/07/77/41/1176077741.db2.gz FMDBKYBBOWQZRL-UHFFFAOYSA-N 2 0 348.516 2.432 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430204 1186866193 /nfs/dbraw/zinc/86/61/93/1186866193.db2.gz JREFZSKNQVJXCP-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431270 1186871877 /nfs/dbraw/zinc/87/18/77/1186871877.db2.gz OFRBCZHWZXMQMW-OALUTQOASA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431269 1186872005 /nfs/dbraw/zinc/87/20/05/1186872005.db2.gz OFRBCZHWZXMQMW-MOPGFXCFSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC001105472799 1188021605 /nfs/dbraw/zinc/02/16/05/1188021605.db2.gz HIYIQRZVBPAFBH-FDYSRKEFSA-N 2 0 349.519 2.033 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001203431355 1188100929 /nfs/dbraw/zinc/10/09/29/1188100929.db2.gz CJYAIGZNXYUKJL-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105559881 1188176131 /nfs/dbraw/zinc/17/61/31/1188176131.db2.gz WRRUKYKJFPPRBO-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368289 1189391430 /nfs/dbraw/zinc/39/14/30/1189391430.db2.gz GGGLRNASGBHODS-UHFFFAOYSA-N 2 0 335.492 2.485 20 30 EEEDRP C[NH+]1CCC(CC[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001273038616 1194343734 /nfs/dbraw/zinc/34/37/34/1194343734.db2.gz HAUUMBINRVZBPN-LJQANCHMSA-N 2 0 332.492 2.089 20 30 EEEDRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001005177931 1194667385 /nfs/dbraw/zinc/66/73/85/1194667385.db2.gz GGWHTVIAXQUOCX-FQEVSTJZSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001033685908 1195068811 /nfs/dbraw/zinc/06/88/11/1195068811.db2.gz XEFYASYQYRSYDQ-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001034660192 1196485780 /nfs/dbraw/zinc/48/57/80/1196485780.db2.gz WHTTUABVVPABJD-ZHALLVOQSA-N 2 0 349.519 2.223 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001034792326 1196734988 /nfs/dbraw/zinc/73/49/88/1196734988.db2.gz GKZJMTQWZMBSRX-FHWLQOOXSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001411250004 1198972253 /nfs/dbraw/zinc/97/22/53/1198972253.db2.gz QGYSITHZQJZMKM-ZUEPYMLJSA-N 2 0 334.489 2.039 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132932446 1200209974 /nfs/dbraw/zinc/20/99/74/1200209974.db2.gz JPUJFUPKTXOKSS-IRXDYDNUSA-N 2 0 330.476 2.168 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133015965 1200314527 /nfs/dbraw/zinc/31/45/27/1200314527.db2.gz JYCKVVRQYLUGRH-ZWKOTPCHSA-N 2 0 333.520 2.206 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(C#N)c1 ZINC001274891160 1205201641 /nfs/dbraw/zinc/20/16/41/1205201641.db2.gz WGZAWCPGOBUJRA-BGYRXZFFSA-N 2 0 326.488 2.201 20 30 EEEDRP C=CCn1cc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001275381031 1205330463 /nfs/dbraw/zinc/33/04/63/1205330463.db2.gz DCXNONWAPCPUMD-UHFFFAOYSA-N 2 0 345.535 2.309 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCCN3C)n[nH]1)C2 ZINC001095442352 1205758557 /nfs/dbraw/zinc/75/85/57/1205758557.db2.gz XENATGWWJKUMLH-NONVJHHQSA-N 2 0 343.475 2.088 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378267 1209101758 /nfs/dbraw/zinc/10/17/58/1209101758.db2.gz SQFDRHWLBRIIPT-DLBZAZTESA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000948565402 1209225707 /nfs/dbraw/zinc/22/57/07/1209225707.db2.gz FERYZCZAXOBTRU-OAHLLOKOSA-N 2 0 334.464 2.239 20 30 EEEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303885433 1213920533 /nfs/dbraw/zinc/92/05/33/1213920533.db2.gz NDRPSOCKZUKSOZ-ZWKOTPCHSA-N 2 0 339.572 2.379 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[NH+]2CCCC2)cc1 ZINC001037127854 1213954735 /nfs/dbraw/zinc/95/47/35/1213954735.db2.gz XIWONUITJCUWOH-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037279762 1216290963 /nfs/dbraw/zinc/29/09/63/1216290963.db2.gz SUJFPJWXTRTKEW-WOJBJXKFSA-N 2 0 345.531 2.396 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000960326840 1216495903 /nfs/dbraw/zinc/49/59/03/1216495903.db2.gz LSFQZZTXGGPLAB-QZTJIDSGSA-N 2 0 325.456 2.030 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960884753 1216959891 /nfs/dbraw/zinc/95/98/91/1216959891.db2.gz SONNSPMRGLIPNB-YOEHRIQHSA-N 2 0 348.516 2.383 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CC=C)C3)C2)CC1 ZINC000961292513 1217131896 /nfs/dbraw/zinc/13/18/96/1217131896.db2.gz JPPTZJGLMGNSDA-VQTJNVASSA-N 2 0 343.515 2.078 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374984 1217163560 /nfs/dbraw/zinc/16/35/60/1217163560.db2.gz NBCZKDDOGAOXNP-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961434862 1217188858 /nfs/dbraw/zinc/18/88/58/1217188858.db2.gz IVKCWZHPROJDEX-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CCF)C2)CC1 ZINC000963431619 1217625166 /nfs/dbraw/zinc/62/51/66/1217625166.db2.gz XRYPINWLZHMFQC-OALUTQOASA-N 2 0 349.494 2.004 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037859229 1219616156 /nfs/dbraw/zinc/61/61/56/1219616156.db2.gz IMRICSDFLYYHKR-GDBMZVCRSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416782 1221288379 /nfs/dbraw/zinc/28/83/79/1221288379.db2.gz AYNFAAUEMBQWAT-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008613428 1222960474 /nfs/dbraw/zinc/96/04/74/1222960474.db2.gz XVHQJJIDPIJFDN-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661608 1226743899 /nfs/dbraw/zinc/74/38/99/1226743899.db2.gz GXUWWICHKSVVEE-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707059 1226803591 /nfs/dbraw/zinc/80/35/91/1226803591.db2.gz QEBXNRBFZFRGPV-HNNXBMFYSA-N 2 0 337.895 2.338 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828233 1226908887 /nfs/dbraw/zinc/90/88/87/1226908887.db2.gz DWYIWVSSIFEJAK-HUUCEWRRSA-N 2 0 325.884 2.194 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019820517 1229362780 /nfs/dbraw/zinc/36/27/80/1229362780.db2.gz NRSOGGZPAKHNPP-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020146243 1229510122 /nfs/dbraw/zinc/51/01/22/1229510122.db2.gz YCZDAPLTWNUQGJ-FHWLQOOXSA-N 2 0 340.471 2.168 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001020174463 1229531826 /nfs/dbraw/zinc/53/18/26/1229531826.db2.gz BUBWMOBLPZWAOV-CADBVGFASA-N 2 0 340.471 2.025 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163390 1230385192 /nfs/dbraw/zinc/38/51/92/1230385192.db2.gz BQXKYRZGNPXVCR-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204829 1230432001 /nfs/dbraw/zinc/43/20/01/1230432001.db2.gz FFQRVCNUASIYMC-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CCCC ZINC001039290952 1230512182 /nfs/dbraw/zinc/51/21/82/1230512182.db2.gz QHTZBPONRIRMNV-IPQPSQTFSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039376252 1230562511 /nfs/dbraw/zinc/56/25/11/1230562511.db2.gz PROMTDGSDKHXNF-CEXWTWQISA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039387264 1230572112 /nfs/dbraw/zinc/57/21/12/1230572112.db2.gz ZWEVBQUJEGFUQB-QYZOEREBSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039398099 1230581029 /nfs/dbraw/zinc/58/10/29/1230581029.db2.gz LGDGGCBWYIWEKK-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001054788965 1249066021 /nfs/dbraw/zinc/06/60/21/1249066021.db2.gz ALCZDPDWKDORJN-ZFWWWQNUSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040639048 1231323704 /nfs/dbraw/zinc/32/37/04/1231323704.db2.gz XGHBXMDHSUMPGU-HNNXBMFYSA-N 2 0 325.884 2.148 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041360463 1231519403 /nfs/dbraw/zinc/51/94/03/1231519403.db2.gz YMEFYDPXCZALQJ-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677378 1231646956 /nfs/dbraw/zinc/64/69/56/1231646956.db2.gz BJOHAHIUYRDQNQ-MOPGFXCFSA-N 2 0 337.483 2.309 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845861 1231728908 /nfs/dbraw/zinc/72/89/08/1231728908.db2.gz PVIPZFDHGCUJEL-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297651 1232012696 /nfs/dbraw/zinc/01/26/96/1232012696.db2.gz STVLWJSBPODAAI-MJGOQNOKSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046951372 1235346934 /nfs/dbraw/zinc/34/69/34/1235346934.db2.gz BLOAKWMZQLOHIQ-GJZGRUSLSA-N 2 0 329.435 2.120 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046955015 1235352830 /nfs/dbraw/zinc/35/28/30/1235352830.db2.gz WPAOWBGTTGPUJB-LSDHHAIUSA-N 2 0 329.435 2.120 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047256370 1235759529 /nfs/dbraw/zinc/75/95/29/1235759529.db2.gz JQKKPRBGXQWBTR-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001048581885 1238017524 /nfs/dbraw/zinc/01/75/24/1238017524.db2.gz YKPGYYBKFLWOLA-FNLKRUPLSA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235646 1240341368 /nfs/dbraw/zinc/34/13/68/1240341368.db2.gz QJHBJZNKRLMGFM-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049235753 1240342051 /nfs/dbraw/zinc/34/20/51/1240342051.db2.gz UJFCVNJUSMJWLG-HDICACEKSA-N 2 0 327.472 2.328 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049913589 1242680371 /nfs/dbraw/zinc/68/03/71/1242680371.db2.gz DDMBRQBHIKZUBX-OTWHNJEPSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(C)C)CC1 ZINC001049917897 1242704184 /nfs/dbraw/zinc/70/41/84/1242704184.db2.gz JBGKNIQMTWFCHQ-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165131 1243021959 /nfs/dbraw/zinc/02/19/59/1243021959.db2.gz VQDKWTNPJSUONR-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001050544503 1243817969 /nfs/dbraw/zinc/81/79/69/1243817969.db2.gz KBRGAUNXFPIZSM-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@H+]3C)cccc2C1 ZINC001051293325 1245491828 /nfs/dbraw/zinc/49/18/28/1245491828.db2.gz QOJJPEIZTMHZGV-HXUWFJFHSA-N 2 0 339.483 2.169 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101574879 1245979286 /nfs/dbraw/zinc/97/92/86/1245979286.db2.gz HZUDLEVCUDDQNW-FUHWJXTLSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160017 1247565378 /nfs/dbraw/zinc/56/53/78/1247565378.db2.gz SRBFWRGNMAIEFV-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159756 1247565990 /nfs/dbraw/zinc/56/59/90/1247565990.db2.gz YWKAUANLGASBCV-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174568 1247609848 /nfs/dbraw/zinc/60/98/48/1247609848.db2.gz ULGNSOYRHBACJW-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C)[NH+](C)C ZINC001074885624 1257192478 /nfs/dbraw/zinc/19/24/78/1257192478.db2.gz OQPWKXXEIWVCKN-KKXDTOCCSA-N 2 0 346.450 2.117 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042517 1257293822 /nfs/dbraw/zinc/29/38/22/1257293822.db2.gz WIILUOSWMDTSEO-ZQIUZPCESA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098403 1257964215 /nfs/dbraw/zinc/96/42/15/1257964215.db2.gz PBACDFASNBFRCD-DLBZAZTESA-N 2 0 339.499 2.296 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100890195 1259399372 /nfs/dbraw/zinc/39/93/72/1259399372.db2.gz PZEQNOUIIACBAV-UHFFFAOYSA-N 2 0 348.516 2.336 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298724 1278316237 /nfs/dbraw/zinc/31/62/37/1278316237.db2.gz OQNBFQWKKNNBMZ-HOTGVXAUSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001185772639 1278775486 /nfs/dbraw/zinc/77/54/86/1278775486.db2.gz UBNMUKHINCAAJS-IAGOWNOFSA-N 2 0 345.487 2.442 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C ZINC001185789892 1278783111 /nfs/dbraw/zinc/78/31/11/1278783111.db2.gz WFPGBPGBPMHUIZ-UYAOXDASSA-N 2 0 341.499 2.216 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001188092769 1279762092 /nfs/dbraw/zinc/76/20/92/1279762092.db2.gz YWMMIVUUFSDBGF-LIXSYLKWSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001152330334 1284548179 /nfs/dbraw/zinc/54/81/79/1284548179.db2.gz MEYRLHVAUOLXOU-AWEZNQCLSA-N 2 0 349.425 2.077 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110750212 1294155945 /nfs/dbraw/zinc/15/59/45/1294155945.db2.gz ATCDBCUDDQNTAP-KURKYZTESA-N 2 0 331.504 2.384 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001216490585 1297190891 /nfs/dbraw/zinc/19/08/91/1297190891.db2.gz FRNBGGTVLAMLOV-UYAOXDASSA-N 2 0 341.499 2.207 20 30 EEEDRP C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2)[C@H]1CC[NH2+][C@H](C)C1 ZINC001218552281 1297709718 /nfs/dbraw/zinc/70/97/18/1297709718.db2.gz DIVHGWUMFSAQDH-UTUOFQBUSA-N 2 0 332.473 2.228 20 30 EEEDRP N#Cc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])n2)s1 ZINC001218787907 1297795998 /nfs/dbraw/zinc/79/59/98/1297795998.db2.gz NDUMKSHTXVLLLE-JTQLQIEISA-N 2 0 335.458 2.138 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC001218889767 1297853442 /nfs/dbraw/zinc/85/34/42/1297853442.db2.gz WHCLRAQKMWDKIF-IBGZPJMESA-N 2 0 346.450 2.214 20 30 EEEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937195 1297872115 /nfs/dbraw/zinc/87/21/15/1297872115.db2.gz NMOGZWKVNDTJGP-IBGZPJMESA-N 2 0 348.450 2.145 20 30 EEEDRP CC(C)C[C@@](C)([NH3+])C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643967 1298488259 /nfs/dbraw/zinc/48/82/59/1298488259.db2.gz ZRXJADXNXKKGKX-LJQANCHMSA-N 2 0 342.487 2.424 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001102378483 1300959007 /nfs/dbraw/zinc/95/90/07/1300959007.db2.gz YPNBDXKDYLZOCK-RLLQIKCJSA-N 2 0 341.499 2.062 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001102525077 1301183109 /nfs/dbraw/zinc/18/31/09/1301183109.db2.gz KHCKYQSDCPDKSV-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102601010 1301273083 /nfs/dbraw/zinc/27/30/83/1301273083.db2.gz GUJJPDIUNRGHOV-HUUCEWRRSA-N 2 0 348.516 2.144 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccnc1 ZINC001230835421 1303489729 /nfs/dbraw/zinc/48/97/29/1303489729.db2.gz FGGIIARCYQETSC-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336947 1305195197 /nfs/dbraw/zinc/19/51/97/1305195197.db2.gz RAZFTOWQRUTQOM-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571705 1305391650 /nfs/dbraw/zinc/39/16/50/1305391650.db2.gz LQUOELXLXWSOGA-GOSISDBHSA-N 2 0 333.520 2.396 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591873 1305464130 /nfs/dbraw/zinc/46/41/30/1305464130.db2.gz JKCUVXYRMSGYCQ-ROUUACIJSA-N 2 0 331.504 2.435 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115592169 1305465074 /nfs/dbraw/zinc/46/50/74/1305465074.db2.gz WYRAZAARLRTYGR-ZWKOTPCHSA-N 2 0 331.504 2.435 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448724 1309546680 /nfs/dbraw/zinc/54/66/80/1309546680.db2.gz FDCSSAYJHLCZIM-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122074530 1310213782 /nfs/dbraw/zinc/21/37/82/1310213782.db2.gz APUYFZHEUCAMNA-MSOLQXFVSA-N 2 0 339.524 2.434 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122243064 1310247602 /nfs/dbraw/zinc/24/76/02/1310247602.db2.gz ZBSJKXSNLCWPRF-WZXTXQKWSA-N 2 0 349.519 2.080 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001151312602 1316502872 /nfs/dbraw/zinc/50/28/72/1316502872.db2.gz RCJIKBPVZFPNKK-KRWDZBQOSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001153802927 1316887218 /nfs/dbraw/zinc/88/72/18/1316887218.db2.gz NHLGQFYFQLQAOF-SJLPKXTDSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001251993375 1317536504 /nfs/dbraw/zinc/53/65/04/1317536504.db2.gz NFCMJBDHIZJFGM-HXUWFJFHSA-N 2 0 329.488 2.012 20 30 EEEDRP C=CCCCCCC[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001253246974 1317807497 /nfs/dbraw/zinc/80/74/97/1317807497.db2.gz DYUUTIUAJDTORP-SFHVURJKSA-N 2 0 325.541 2.490 20 30 EEEDRP CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157112919 1318416508 /nfs/dbraw/zinc/41/65/08/1318416508.db2.gz CFGPFZRYBYRZJE-MRXNPFEDSA-N 2 0 330.476 2.225 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001157886258 1318917124 /nfs/dbraw/zinc/91/71/24/1318917124.db2.gz DEKBRGWXQXVKJV-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)s1 ZINC001158040748 1318981582 /nfs/dbraw/zinc/98/15/82/1318981582.db2.gz YYFIPYOBTLBHAI-LSDHHAIUSA-N 2 0 346.500 2.090 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)Cc2cccnc2)CC1 ZINC001258630458 1319312549 /nfs/dbraw/zinc/31/25/49/1319312549.db2.gz AKNOFIYYLAZGQI-IBGZPJMESA-N 2 0 328.504 2.304 20 30 EEEDRP Cc1nc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)ccc1CC#N ZINC001158589653 1319323591 /nfs/dbraw/zinc/32/35/91/1319323591.db2.gz VVKZMUJHMBPVJQ-UHFFFAOYSA-N 2 0 327.476 2.109 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001159327213 1319741497 /nfs/dbraw/zinc/74/14/97/1319741497.db2.gz APEJSMQIKAOOBG-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466833 1320169364 /nfs/dbraw/zinc/16/93/64/1320169364.db2.gz KPBIKKBFNHPESX-OALUTQOASA-N 2 0 329.488 2.165 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)(COC)CC1 ZINC001162319837 1320819240 /nfs/dbraw/zinc/81/92/40/1320819240.db2.gz DBINXABFRQKPOS-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC001163224758 1321071477 /nfs/dbraw/zinc/07/14/77/1321071477.db2.gz YOTNQJOSGSCDLZ-LJQANCHMSA-N 2 0 340.471 2.029 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CC4(C)COC4)C[C@H]3CC2)cc1C#N ZINC001276416028 1321941803 /nfs/dbraw/zinc/94/18/03/1321941803.db2.gz ZRDRZBUNMOVGIM-HDICACEKSA-N 2 0 342.487 2.077 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771407 1321957856 /nfs/dbraw/zinc/95/78/56/1321957856.db2.gz NKZXTEQIOOHFGJ-RTBURBONSA-N 2 0 343.515 2.315 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205429245 1323127986 /nfs/dbraw/zinc/12/79/86/1323127986.db2.gz SOSSUWMTAUVDBR-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518875 1323174180 /nfs/dbraw/zinc/17/41/80/1323174180.db2.gz NUXYLJKELHWTOG-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952967 1325108783 /nfs/dbraw/zinc/10/87/83/1325108783.db2.gz RRVISFMJQIDYGW-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001491891404 1330291957 /nfs/dbraw/zinc/29/19/57/1330291957.db2.gz KBPNXFFBLDTJPM-OALUTQOASA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636389 1338484303 /nfs/dbraw/zinc/48/43/03/1338484303.db2.gz ZFEVPKPHDARHKR-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729689 1371698659 /nfs/dbraw/zinc/69/86/59/1371698659.db2.gz PKLKWETVKMZDOP-IBGZPJMESA-N 2 0 337.483 2.241 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CC3)CCCCC2)CC1 ZINC001120196868 1371813612 /nfs/dbraw/zinc/81/36/12/1371813612.db2.gz QJDCUPMURXXNBQ-UHFFFAOYSA-N 2 0 331.504 2.150 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C)[NH+](C)C ZINC001367480303 1374176117 /nfs/dbraw/zinc/17/61/17/1374176117.db2.gz LUKNBVIPRIXAAD-MSOLQXFVSA-N 2 0 348.466 2.268 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001367862039 1374290946 /nfs/dbraw/zinc/29/09/46/1374290946.db2.gz MGGLNAMNWHQCCZ-GDBMZVCRSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[C@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1)[NH+](CC)CC ZINC001377996451 1379627956 /nfs/dbraw/zinc/62/79/56/1379627956.db2.gz XOARMMBZTRQLOL-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001378257344 1379826538 /nfs/dbraw/zinc/82/65/38/1379826538.db2.gz UAJXVWZKJOQGSW-INIZCTEOSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001378991575 1380359621 /nfs/dbraw/zinc/35/96/21/1380359621.db2.gz SRXNGFHOQPWAHN-MSOLQXFVSA-N 2 0 330.476 2.129 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001394861323 1390760499 /nfs/dbraw/zinc/76/04/99/1390760499.db2.gz XASDSFZDSLGYBS-UHFFFAOYSA-N 2 0 334.489 2.041 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001401302348 1397135275 /nfs/dbraw/zinc/13/52/75/1397135275.db2.gz VUGMCJHNVRUBKB-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001401504732 1397412789 /nfs/dbraw/zinc/41/27/89/1397412789.db2.gz VUIYEOOAYODOHK-CABCVRRESA-N 2 0 325.884 2.242 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001754657006 1406939322 /nfs/dbraw/zinc/93/93/22/1406939322.db2.gz XUOINXFPVGSXAE-RBUKOAKNSA-N 2 0 333.520 2.395 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001754865598 1406969820 /nfs/dbraw/zinc/96/98/20/1406969820.db2.gz OBFCIPRRIDWRGI-GUDVDZBRSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574515923 1403521379 /nfs/dbraw/zinc/52/13/79/1403521379.db2.gz BEPVZAPHFITKDK-RXVVDRJESA-N 2 0 339.483 2.255 20 30 EEEDRP C#CC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515852 1403521683 /nfs/dbraw/zinc/52/16/83/1403521683.db2.gz AITGKINUKNPJFO-PXNSSMCTSA-N 2 0 327.472 2.159 20 30 EEEDRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)ccc21 ZINC001578413377 1403750671 /nfs/dbraw/zinc/75/06/71/1403750671.db2.gz NANJQZAKQIQNHT-NQPCOCOJSA-N 2 0 338.455 2.313 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001723044836 1405762217 /nfs/dbraw/zinc/76/22/17/1405762217.db2.gz DLGYFCHKJOFTKL-INIZCTEOSA-N 2 0 336.505 2.144 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755445748 1407460172 /nfs/dbraw/zinc/46/01/72/1407460172.db2.gz QEOCZLKHFSBSBR-IRXDYDNUSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001755658497 1407709396 /nfs/dbraw/zinc/70/93/96/1407709396.db2.gz NEJWEPOHHWBXKH-ZBFHGGJFSA-N 2 0 325.416 2.036 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193543 1410214936 /nfs/dbraw/zinc/21/49/36/1410214936.db2.gz FDGSPPQQICRHMN-WZXTXQKWSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242625 1410267993 /nfs/dbraw/zinc/26/79/93/1410267993.db2.gz MCUDCDXRGZGXRQ-UHFFFAOYSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560099 1410396928 /nfs/dbraw/zinc/39/69/28/1410396928.db2.gz JBWNIZWPZKKFTA-PKOBYXMFSA-N 2 0 328.460 2.036 20 30 EEEDRP C=CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001075391410 757902391 /nfs/dbraw/zinc/90/23/91/757902391.db2.gz YZZZUVABFBRADK-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210789399 758131177 /nfs/dbraw/zinc/13/11/77/758131177.db2.gz OXWUOLYPFRAWNY-GOSISDBHSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001167480369 759827115 /nfs/dbraw/zinc/82/71/15/759827115.db2.gz CATLHPOUMGPJJM-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461828 760942105 /nfs/dbraw/zinc/94/21/05/760942105.db2.gz SCSHJHNETNQGDS-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077559 782870775 /nfs/dbraw/zinc/87/07/75/782870775.db2.gz FLIYZOTXUQUAII-QRVBRYPASA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649288 773776203 /nfs/dbraw/zinc/77/62/03/773776203.db2.gz GOYFDWRSBKQRCC-SJORKVTESA-N 2 0 342.487 2.391 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656556 774020533 /nfs/dbraw/zinc/02/05/33/774020533.db2.gz JSGNXEQMWSTIMY-KRWDZBQOSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CC2)CC1 ZINC001089735672 774815634 /nfs/dbraw/zinc/81/56/34/774815634.db2.gz NZTZIFHIMJLLRD-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089805932 775955518 /nfs/dbraw/zinc/95/55/18/775955518.db2.gz MFJINDDJYJEBFR-OKYOBFRVSA-N 2 0 343.515 2.053 20 30 EEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981222293 776869939 /nfs/dbraw/zinc/86/99/39/776869939.db2.gz YQUUXNLQHRPOSW-GJZGRUSLSA-N 2 0 325.416 2.084 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653754 790551932 /nfs/dbraw/zinc/55/19/32/790551932.db2.gz RAXPHCTZAMYJSP-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236783788 779864354 /nfs/dbraw/zinc/86/43/54/779864354.db2.gz UONBLMDCNUKUKM-QFBILLFUSA-N 2 0 331.460 2.424 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197455 784032275 /nfs/dbraw/zinc/03/22/75/784032275.db2.gz ODMJWRLOBMONQR-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@]13CC[NH+](C1)CCC3)CC2 ZINC001035251534 784247049 /nfs/dbraw/zinc/24/70/49/784247049.db2.gz GXOWLHMZLZERRD-FQEVSTJZSA-N 2 0 331.504 2.363 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976047 784924513 /nfs/dbraw/zinc/92/45/13/784924513.db2.gz GHRZJQAOGVXYNT-CHWSQXEVSA-N 2 0 334.302 2.110 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035718975 785012509 /nfs/dbraw/zinc/01/25/09/785012509.db2.gz LGCUTTDUBWGVSM-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035724501 785022828 /nfs/dbraw/zinc/02/28/28/785022828.db2.gz JKSRUVXXRCAJMM-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035858439 785301142 /nfs/dbraw/zinc/30/11/42/785301142.db2.gz IBIDZUFOPKPSGF-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1)[NH+](C)C ZINC000995946155 785849907 /nfs/dbraw/zinc/84/99/07/785849907.db2.gz GRHBDRYSMDMGEP-MSOLQXFVSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1)[NH+](C)C ZINC000995953518 785869618 /nfs/dbraw/zinc/86/96/18/785869618.db2.gz VUKLUJYXBDVHBQ-QZTJIDSGSA-N 2 0 342.487 2.225 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)CCC1 ZINC000996662233 787009433 /nfs/dbraw/zinc/00/94/33/787009433.db2.gz DUNAMWOKDWXDEO-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CCC1 ZINC000996667736 787034393 /nfs/dbraw/zinc/03/43/93/787034393.db2.gz XPQRVRZUMLANNZ-UHFFFAOYSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@@H]2C1 ZINC000946875462 789134499 /nfs/dbraw/zinc/13/44/99/789134499.db2.gz RDNLMQOWVOJZKS-NSHGMRRFSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005985954 789150248 /nfs/dbraw/zinc/15/02/48/789150248.db2.gz IISSKDPZJNRDFM-IBGZPJMESA-N 2 0 337.483 2.145 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001171162425 789578479 /nfs/dbraw/zinc/57/84/79/789578479.db2.gz YEOXHTNTFKWHAV-UXHICEINSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908411 789775515 /nfs/dbraw/zinc/77/55/15/789775515.db2.gz BDXPKYATVVEMNV-YRPNKDGESA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001146339153 791173397 /nfs/dbraw/zinc/17/33/97/791173397.db2.gz JYJYQCWMDWJRMF-CVEARBPZSA-N 2 0 328.460 2.027 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872466 791250964 /nfs/dbraw/zinc/25/09/64/791250964.db2.gz VIKAZFOAHQUTPS-LMCOJAPRSA-N 2 0 341.499 2.487 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001147359115 791799762 /nfs/dbraw/zinc/79/97/62/791799762.db2.gz LLTWPGZRMPOIQN-KRWDZBQOSA-N 2 0 348.516 2.480 20 30 EEEDRP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009810 791826728 /nfs/dbraw/zinc/82/67/28/791826728.db2.gz YXHPGNGMESMKCR-GBESFXJTSA-N 2 0 333.520 2.443 20 30 EEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657889 791903154 /nfs/dbraw/zinc/90/31/54/791903154.db2.gz GPFUOLCGWWVCEN-MRXNPFEDSA-N 2 0 325.472 2.167 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147975116 792071497 /nfs/dbraw/zinc/07/14/97/792071497.db2.gz GCDIRHHRRRYTBS-IBGZPJMESA-N 2 0 342.487 2.100 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998308287 792538500 /nfs/dbraw/zinc/53/85/00/792538500.db2.gz YXMQKVPZHQITHV-UONOGXRCSA-N 2 0 345.409 2.027 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992169864 793025581 /nfs/dbraw/zinc/02/55/81/793025581.db2.gz SLCIUPJJSBFLJH-CTNGQTDRSA-N 2 0 339.483 2.151 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001109928188 806226101 /nfs/dbraw/zinc/22/61/01/806226101.db2.gz LHHCZVMTCVAQQY-QYZOEREBSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157596 793611700 /nfs/dbraw/zinc/61/17/00/793611700.db2.gz GDICDWQADBTJGF-QUCCMNQESA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992409726 793995744 /nfs/dbraw/zinc/99/57/44/793995744.db2.gz UDKAKDBSIXEMON-TZIWHRDSSA-N 2 0 343.515 2.245 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001079187617 794466761 /nfs/dbraw/zinc/46/67/61/794466761.db2.gz PHAZQBOJPXDYJK-IPMKNSEASA-N 2 0 345.462 2.236 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079189394 794468903 /nfs/dbraw/zinc/46/89/03/794468903.db2.gz NDQUWRQGGWZVIR-OTWHNJEPSA-N 2 0 345.462 2.380 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056547 794564944 /nfs/dbraw/zinc/56/49/44/794564944.db2.gz FAZBQCTXAJXNEA-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4c3CCCC4)CC[C@H]21 ZINC001036774561 794922626 /nfs/dbraw/zinc/92/26/26/794922626.db2.gz HMPIXGFUBOJGBN-SJLPKXTDSA-N 2 0 342.487 2.261 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001093371937 795103331 /nfs/dbraw/zinc/10/33/31/795103331.db2.gz XAJSFNKOYCLHNE-FQEVSTJZSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001093378454 795114645 /nfs/dbraw/zinc/11/46/45/795114645.db2.gz OHWOZWXSAYJZET-FXAWDEMLSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001093383807 795126801 /nfs/dbraw/zinc/12/68/01/795126801.db2.gz PDVJMABQSBIPPY-OALUTQOASA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106250059 795290563 /nfs/dbraw/zinc/29/05/63/795290563.db2.gz XKYISKJJYPJYFX-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106411964 795526901 /nfs/dbraw/zinc/52/69/01/795526901.db2.gz CKLFISCVYQOSJL-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)CC1 ZINC001032800398 796415778 /nfs/dbraw/zinc/41/57/78/796415778.db2.gz HBVIMPBWDHKPEY-OALUTQOASA-N 2 0 343.515 2.053 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081097830 796631338 /nfs/dbraw/zinc/63/13/38/796631338.db2.gz HYDIFBJCAJOPIP-KSZLIROESA-N 2 0 347.890 2.417 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001171576156 796645500 /nfs/dbraw/zinc/64/55/00/796645500.db2.gz QXYKUQSTOXQJIK-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC2(CCOCC2)C1 ZINC001089969653 796692615 /nfs/dbraw/zinc/69/26/15/796692615.db2.gz MBMMGFLKHGJULA-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172971029 797176051 /nfs/dbraw/zinc/17/60/51/797176051.db2.gz LHZVNVNSQRCUHJ-KSWRQPAISA-N 2 0 348.491 2.493 20 30 EEEDRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173332517 797362811 /nfs/dbraw/zinc/36/28/11/797362811.db2.gz AWNNPBJIVRNUPH-JWHDQAAXSA-N 2 0 335.492 2.128 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862856 797479054 /nfs/dbraw/zinc/47/90/54/797479054.db2.gz VMPSQSMIXXUGKK-DBXWQHBBSA-N 2 0 341.499 2.171 20 30 EEEDRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001082575200 797596071 /nfs/dbraw/zinc/59/60/71/797596071.db2.gz QLGUYQRUMAPACA-XYPHTWIQSA-N 2 0 348.516 2.142 20 30 EEEDRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001082724833 797665327 /nfs/dbraw/zinc/66/53/27/797665327.db2.gz NJTUWQALOGJTJP-ATZDWAIDSA-N 2 0 342.487 2.081 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)[C@H]2C)CC1 ZINC000994498547 798095669 /nfs/dbraw/zinc/09/56/69/798095669.db2.gz NBMKCTBVRLTGCC-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175663213 798190161 /nfs/dbraw/zinc/19/01/61/798190161.db2.gz BQVCHDPGCQBPSP-KRWDZBQOSA-N 2 0 349.523 2.289 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175938687 798277281 /nfs/dbraw/zinc/27/72/81/798277281.db2.gz GLAZMCTVSMHUNF-QGZVFWFLSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084767783 798438730 /nfs/dbraw/zinc/43/87/30/798438730.db2.gz JCBGIQJVHWQEER-CEXWTWQISA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001176572537 798501362 /nfs/dbraw/zinc/50/13/62/798501362.db2.gz ASWWXOBCTAHIFS-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP N#Cc1cc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)ccc1F ZINC001176879885 798610912 /nfs/dbraw/zinc/61/09/12/798610912.db2.gz LYZBFBDMYATDJB-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C/C=C\c2ccccc2)CC1 ZINC001176926404 798630963 /nfs/dbraw/zinc/63/09/63/798630963.db2.gz KTAGFNLGYACKHT-POHAHGRESA-N 2 0 339.483 2.141 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@H](OC)C1 ZINC001212465656 798643819 /nfs/dbraw/zinc/64/38/19/798643819.db2.gz QKRNUORBZUGKBG-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212291 799819584 /nfs/dbraw/zinc/81/95/84/799819584.db2.gz KCCKWVXATKQTHJ-UHFFFAOYSA-N 2 0 339.524 2.330 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC001179976527 800194059 /nfs/dbraw/zinc/19/40/59/800194059.db2.gz RVNVKWAVMYMZCD-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598100 800865656 /nfs/dbraw/zinc/86/56/56/800865656.db2.gz MXGWXJNXVGJUQW-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001182082356 801024659 /nfs/dbraw/zinc/02/46/59/801024659.db2.gz JAEPIPVIYJXAEI-DNVCBOLYSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001085986412 801838526 /nfs/dbraw/zinc/83/85/26/801838526.db2.gz DCFUIYLSNORGHQ-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004444839 802057219 /nfs/dbraw/zinc/05/72/19/802057219.db2.gz BMDHMOASKALZCA-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004478686 802181331 /nfs/dbraw/zinc/18/13/31/802181331.db2.gz XIFBYQIDIDBVHE-LJQANCHMSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001185167138 802370578 /nfs/dbraw/zinc/37/05/78/802370578.db2.gz CELVZUDCADPODB-PXNSSMCTSA-N 2 0 341.499 2.112 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001185169453 802373383 /nfs/dbraw/zinc/37/33/83/802373383.db2.gz LRIAHIGGYZWGQY-ICSRJNTNSA-N 2 0 343.515 2.421 20 30 EEEDRP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108356460 803361950 /nfs/dbraw/zinc/36/19/50/803361950.db2.gz FGIVNBPHXMRACK-IBGZPJMESA-N 2 0 339.524 2.282 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001438958463 1091650697 /nfs/dbraw/zinc/65/06/97/1091650697.db2.gz GMJRSQXJOWPVAV-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001445868773 1091791813 /nfs/dbraw/zinc/79/18/13/1091791813.db2.gz HSLNNEJSCVGYBA-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001444887066 1099920915 /nfs/dbraw/zinc/92/09/15/1099920915.db2.gz GISYADHKDUTMEY-INIZCTEOSA-N 2 0 347.850 2.364 20 30 EEEDRP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001446944655 1101634994 /nfs/dbraw/zinc/63/49/94/1101634994.db2.gz UCZYAHIKHDRRCM-GJZGRUSLSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C2 ZINC001446953285 1101651097 /nfs/dbraw/zinc/65/10/97/1101651097.db2.gz KKTBDJYMJNURSG-MUJYYYPQSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001495961938 1101839063 /nfs/dbraw/zinc/83/90/63/1101839063.db2.gz SDXLKCLYGYIZHA-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001447315831 1102434788 /nfs/dbraw/zinc/43/47/88/1102434788.db2.gz BPYLHNSTTGDNBC-YOEHRIQHSA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001448108921 1104025615 /nfs/dbraw/zinc/02/56/15/1104025615.db2.gz ZTCBUHUFTSERJY-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081018 1113192225 /nfs/dbraw/zinc/19/22/25/1113192225.db2.gz XEUSWRGJABMALU-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422979214 240317032 /nfs/dbraw/zinc/31/70/32/240317032.db2.gz MAAXMVURRLGEED-JKSUJKDBSA-N 2 0 334.439 2.010 20 30 EEEDRP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)c(C#N)cc1[N+](=O)[O-] ZINC000288317328 266101964 /nfs/dbraw/zinc/10/19/64/266101964.db2.gz HSRQZNPCZTVCRN-UHFFFAOYSA-N 2 0 348.451 2.194 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698343 782088086 /nfs/dbraw/zinc/08/80/86/782088086.db2.gz SLJNIGSSXONHQJ-IPMKNSEASA-N 2 0 331.504 2.386 20 30 EEEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])NC2CCCCCC2)ccn1 ZINC000092278766 462940530 /nfs/dbraw/zinc/94/05/30/462940530.db2.gz HDZNEMZCLRHYEP-UHFFFAOYSA-N 2 0 333.480 2.149 20 30 EEEDRP C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000337177223 465230346 /nfs/dbraw/zinc/23/03/46/465230346.db2.gz JHMOVFIWZGARKD-RTBURBONSA-N 2 0 348.535 2.045 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C#N ZINC000578977143 468289586 /nfs/dbraw/zinc/28/95/86/468289586.db2.gz TWADGFWMGPKQRN-IEBWSBKVSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000068085233 463090884 /nfs/dbraw/zinc/09/08/84/463090884.db2.gz IKTVZSYIXVXXAS-ROUUACIJSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491298100 468345055 /nfs/dbraw/zinc/34/50/55/468345055.db2.gz TZNCALHAKIKJLC-IBGZPJMESA-N 2 0 348.535 2.239 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555451 463615574 /nfs/dbraw/zinc/61/55/74/463615574.db2.gz YYCBZGJMHCQJJL-ZWKOTPCHSA-N 2 0 336.524 2.326 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177695355 463767628 /nfs/dbraw/zinc/76/76/28/463767628.db2.gz BEQZKFFNWLTLTP-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000264067820 464278001 /nfs/dbraw/zinc/27/80/01/464278001.db2.gz FHELTEQDMOWBGZ-SFHVURJKSA-N 2 0 331.508 2.302 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000264135491 464287178 /nfs/dbraw/zinc/28/71/78/464287178.db2.gz ZPVWDGDQKPACAG-GJZGRUSLSA-N 2 0 348.491 2.229 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282216039 464739832 /nfs/dbraw/zinc/73/98/32/464739832.db2.gz HQSDUABHQAZQJW-KRWDZBQOSA-N 2 0 329.488 2.375 20 30 EEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000554637356 468433950 /nfs/dbraw/zinc/43/39/50/468433950.db2.gz OXJZSTRHNSOLLH-LJQANCHMSA-N 2 0 339.439 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000299254453 465668152 /nfs/dbraw/zinc/66/81/52/465668152.db2.gz NXTOSRGPEFTFGX-FQEVSTJZSA-N 2 0 339.483 2.285 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000340962805 466470863 /nfs/dbraw/zinc/47/08/63/466470863.db2.gz SVIOCGXGGLNDLF-OKZBNKHCSA-N 2 0 336.524 2.467 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000417057538 466766655 /nfs/dbraw/zinc/76/66/55/466766655.db2.gz BUTUMQYOLBVJMA-CADBVGFASA-N 2 0 348.535 2.454 20 30 EEEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305934 467346477 /nfs/dbraw/zinc/34/64/77/467346477.db2.gz QDXCMEIGJUJTAB-CVEARBPZSA-N 2 0 326.448 2.211 20 30 EEEDRP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)C1=O ZINC000420316026 467352437 /nfs/dbraw/zinc/35/24/37/467352437.db2.gz SMOYHCXEDYMKLL-ZCNNSNEGSA-N 2 0 341.499 2.445 20 30 EEEDRP C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611564138 469280462 /nfs/dbraw/zinc/28/04/62/469280462.db2.gz NGOBTFDOPDCZBB-MJGOQNOKSA-N 2 0 326.488 2.475 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660705921 471453732 /nfs/dbraw/zinc/45/37/32/471453732.db2.gz XSJNAOZHJVHTED-QGZVFWFLSA-N 2 0 334.508 2.058 20 30 EEEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000106483856 533842158 /nfs/dbraw/zinc/84/21/58/533842158.db2.gz DYPXIRSNHFBQDZ-KRWDZBQOSA-N 2 0 330.476 2.095 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969154205 674640861 /nfs/dbraw/zinc/64/08/61/674640861.db2.gz ZKZVLHGADURQSJ-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001020509056 674970162 /nfs/dbraw/zinc/97/01/62/674970162.db2.gz KEQNDEZDDNGLQM-QZHFEQFPSA-N 2 0 340.471 2.025 20 30 EEEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+]1CCCC1 ZINC000969563274 675107335 /nfs/dbraw/zinc/10/73/35/675107335.db2.gz AYHRTCWOXOBZDD-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020591099 675223453 /nfs/dbraw/zinc/22/34/53/675223453.db2.gz DNDYSOXKGUWXIK-IYARVYRRSA-N 2 0 340.471 2.027 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001020591098 675223694 /nfs/dbraw/zinc/22/36/94/675223694.db2.gz DLVICACTWJTYAH-IYARVYRRSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)c2)C1 ZINC000971703229 676747716 /nfs/dbraw/zinc/74/77/16/676747716.db2.gz BAOPOGVRALPMKH-MSOLQXFVSA-N 2 0 345.512 2.187 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000971785817 676790771 /nfs/dbraw/zinc/79/07/71/676790771.db2.gz ZGMVUMRRABYODG-SJLPKXTDSA-N 2 0 346.450 2.070 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001022955574 678855771 /nfs/dbraw/zinc/85/57/71/678855771.db2.gz DNCMESUMOYDWMG-IYBDPMFKSA-N 2 0 325.884 2.098 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583850 679356751 /nfs/dbraw/zinc/35/67/51/679356751.db2.gz ZKLSFGPMGLFVKC-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@]2(C)C1 ZINC000982650917 681968494 /nfs/dbraw/zinc/96/84/94/681968494.db2.gz DVUFRVHCZBKEEN-OYRHEFFESA-N 2 0 339.483 2.165 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241456 682300886 /nfs/dbraw/zinc/30/08/86/682300886.db2.gz XNVGQBOGCOBXPX-ZWKOTPCHSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245963 682314449 /nfs/dbraw/zinc/31/44/49/682314449.db2.gz AUJSIEIPTDVVBF-MOPGFXCFSA-N 2 0 343.515 2.484 20 30 EEEDRP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262015827 682848449 /nfs/dbraw/zinc/84/84/49/682848449.db2.gz XRYYXYJQRWEKBQ-GXTWGEPZSA-N 2 0 333.480 2.120 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(C)C)[C@@H]3C2)CC1 ZINC000992929072 683659423 /nfs/dbraw/zinc/65/94/23/683659423.db2.gz FCSJWGLOLJDYRZ-XUVXKRRUSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC000992931874 683662522 /nfs/dbraw/zinc/66/25/22/683662522.db2.gz XDYCNGUAWMTLCQ-YSIASYRMSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001026427695 684632719 /nfs/dbraw/zinc/63/27/19/684632719.db2.gz SAXNFEQHDOCHDN-IPMKNSEASA-N 2 0 327.472 2.374 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](CC(C)C)CC1 ZINC000262475467 686260418 /nfs/dbraw/zinc/26/04/18/686260418.db2.gz ZPFNZJJBYZROSA-APWZRJJASA-N 2 0 338.540 2.475 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432127 686708661 /nfs/dbraw/zinc/70/86/61/686708661.db2.gz DKXMSESVOOCCLS-MRXNPFEDSA-N 2 0 325.884 2.004 20 30 EEEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1cccs1 ZINC000262519234 686800771 /nfs/dbraw/zinc/80/07/71/686800771.db2.gz HUAJXOFLSODDMK-DZGCQCFKSA-N 2 0 338.546 2.495 20 30 EEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000303886582 686934209 /nfs/dbraw/zinc/93/42/09/686934209.db2.gz KGJZQUKZTULJNC-OAHLLOKOSA-N 2 0 349.910 2.119 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029758179 687022879 /nfs/dbraw/zinc/02/28/79/687022879.db2.gz UFKMVUNPIFNYCP-UXHICEINSA-N 2 0 339.483 2.065 20 30 EEEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000262790205 688474013 /nfs/dbraw/zinc/47/40/13/688474013.db2.gz KODGEKOYSRAIDX-LIRRHRJNSA-N 2 0 348.539 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)CC1 ZINC000987568280 689844091 /nfs/dbraw/zinc/84/40/91/689844091.db2.gz HRQFRSWCIYSUHK-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107035722 1192944497 /nfs/dbraw/zinc/94/44/97/1192944497.db2.gz WMSQZJLBSAXNOV-SJLPKXTDSA-N 2 0 327.472 2.069 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482342889 1185453402 /nfs/dbraw/zinc/45/34/02/1185453402.db2.gz FCWOSFZXDALTRO-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+]1CCC(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001272888262 1193592063 /nfs/dbraw/zinc/59/20/63/1193592063.db2.gz SYECBCYURNJGLM-LJQANCHMSA-N 2 0 332.492 2.089 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccccc1C#N ZINC001409684853 1190186079 /nfs/dbraw/zinc/18/60/79/1190186079.db2.gz KKHJPPLVCKGUGU-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486207352 1193720443 /nfs/dbraw/zinc/72/04/43/1193720443.db2.gz QKYAPJSTKBOZJU-LSDHHAIUSA-N 2 0 325.884 2.242 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819263 1194445586 /nfs/dbraw/zinc/44/55/86/1194445586.db2.gz YMVQCQJPEARULH-RDGPPVDQSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503929 1195737691 /nfs/dbraw/zinc/73/76/91/1195737691.db2.gz LOVHXQYVGOYKDM-LJQANCHMSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011585 1200332667 /nfs/dbraw/zinc/33/26/67/1200332667.db2.gz KTEXWPVAFXOVIN-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133338398 1200762404 /nfs/dbraw/zinc/76/24/04/1200762404.db2.gz VAHTYXQBPWWDHM-XLIONFOSSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133359591 1200771370 /nfs/dbraw/zinc/77/13/70/1200771370.db2.gz IFFGWOBCRNQYSB-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000879590777 1201161696 /nfs/dbraw/zinc/16/16/96/1201161696.db2.gz DPFLRFSZUUOTEG-UHFFFAOYSA-N 2 0 342.487 2.039 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000868284280 1201782717 /nfs/dbraw/zinc/78/27/17/1201782717.db2.gz TUKSTQNPCSRFJA-UHFFFAOYSA-N 2 0 336.524 2.447 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c[nH]c4c3cccc4C#N)[C@@H]2C1 ZINC001275367700 1205324468 /nfs/dbraw/zinc/32/44/68/1205324468.db2.gz NKSAAKMNGQJABE-QFBILLFUSA-N 2 0 337.471 2.107 20 30 EEEDRP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948985473 1209489805 /nfs/dbraw/zinc/48/98/05/1209489805.db2.gz DZOJSGMJQDKHMQ-PKOBYXMFSA-N 2 0 327.472 2.230 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000303883385 1213920233 /nfs/dbraw/zinc/92/02/33/1213920233.db2.gz IOBWZYGMAGYEJO-IAGOWNOFSA-N 2 0 344.503 2.311 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303885720 1213920551 /nfs/dbraw/zinc/92/05/51/1213920551.db2.gz JYUWEPPZCAXORR-MSOLQXFVSA-N 3 0 337.556 2.132 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000304468578 1216043994 /nfs/dbraw/zinc/04/39/94/1216043994.db2.gz CMIHAKRUHULGBV-PKOBYXMFSA-N 3 0 345.535 2.286 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960269969 1216461255 /nfs/dbraw/zinc/46/12/55/1216461255.db2.gz BOGITGKIEIRYKJ-FBBABVLZSA-N 2 0 339.483 2.254 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383291 1217579944 /nfs/dbraw/zinc/57/99/44/1217579944.db2.gz MXDXPQIZFXASAQ-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000965928829 1219368086 /nfs/dbraw/zinc/36/80/86/1219368086.db2.gz PDJLDDFJOMAUQD-UHFFFAOYSA-N 2 0 325.456 2.012 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1CC ZINC001037885192 1219970279 /nfs/dbraw/zinc/97/02/79/1219970279.db2.gz ZBKNQOGQEYMJOS-WBVHZDCISA-N 2 0 339.443 2.284 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425184 1220501499 /nfs/dbraw/zinc/50/14/99/1220501499.db2.gz YHFVYEONOCINAK-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702017 1226796433 /nfs/dbraw/zinc/79/64/33/1226796433.db2.gz HVQLBMBSHZQOEV-MSOLQXFVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016907681 1226961698 /nfs/dbraw/zinc/96/16/98/1226961698.db2.gz UPWPURNBUKYXEN-GOSISDBHSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019151106 1228803280 /nfs/dbraw/zinc/80/32/80/1228803280.db2.gz IZJPEDLPWMRONF-ZDUSSCGKSA-N 2 0 349.232 2.047 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001019383795 1229055012 /nfs/dbraw/zinc/05/50/12/1229055012.db2.gz NGZUGNDBUYQPLJ-BBRMVZONSA-N 2 0 331.863 2.142 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001039041278 1230257265 /nfs/dbraw/zinc/25/72/65/1230257265.db2.gz BKNKBTFTPOICQE-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2C)CC1 ZINC001039041933 1230258013 /nfs/dbraw/zinc/25/80/13/1230258013.db2.gz JUSZGCDCXSPZLO-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039183357 1230411054 /nfs/dbraw/zinc/41/10/54/1230411054.db2.gz ZWARRJAUWQJTDM-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039211524 1230439179 /nfs/dbraw/zinc/43/91/79/1230439179.db2.gz BEYSJGMRGBJTHO-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375769 1230562524 /nfs/dbraw/zinc/56/25/24/1230562524.db2.gz WJNHHCOOKPTBJZ-MSOLQXFVSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452433 1230619504 /nfs/dbraw/zinc/61/95/04/1230619504.db2.gz VZAMVVVDRQIVEQ-MOPGFXCFSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039473909 1230637736 /nfs/dbraw/zinc/63/77/36/1230637736.db2.gz ILMZYOXMSBNLQF-MOPGFXCFSA-N 2 0 339.483 2.450 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040277254 1231148522 /nfs/dbraw/zinc/14/85/22/1231148522.db2.gz ZJOHMDYJAOLRKV-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347367 1231180699 /nfs/dbraw/zinc/18/06/99/1231180699.db2.gz KAIMKOUDGQDPTJ-FPOVZHCZSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721817 1231348066 /nfs/dbraw/zinc/34/80/66/1231348066.db2.gz AREXOYIQGFJYMT-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505617 1231571158 /nfs/dbraw/zinc/57/11/58/1231571158.db2.gz LBBSQIWPDKWZHN-AZUAARDMSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270774 1231995223 /nfs/dbraw/zinc/99/52/23/1231995223.db2.gz SECOOCYZJPVUSX-MJGOQNOKSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C/C=C\Cl)[C@H]3C2)CC1 ZINC001042367590 1232049708 /nfs/dbraw/zinc/04/97/08/1232049708.db2.gz IICQWIFFDCKTIC-JJSZIUKISA-N 2 0 349.906 2.007 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368456 1232049879 /nfs/dbraw/zinc/04/98/79/1232049879.db2.gz QMEMAHAAXRLMLV-PXNSSMCTSA-N 2 0 339.483 2.308 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001045070312 1233483588 /nfs/dbraw/zinc/48/35/88/1233483588.db2.gz CIGWTKUUGUWQSK-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC3CCC3)CC2)CC1 ZINC001045647265 1233880809 /nfs/dbraw/zinc/88/08/09/1233880809.db2.gz YSLWMIZPKOZDKG-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](C)F)CC1 ZINC001045896040 1234128310 /nfs/dbraw/zinc/12/83/10/1234128310.db2.gz SYFHOXXMUVMFCO-UHOSZYNNSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937533 1234190731 /nfs/dbraw/zinc/19/07/31/1234190731.db2.gz FVTFUDXFXLQBPF-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976393 1234262691 /nfs/dbraw/zinc/26/26/91/1234262691.db2.gz YFYRLRGPUQRDKH-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990441 1235401250 /nfs/dbraw/zinc/40/12/50/1235401250.db2.gz QVYLYQDIUKJTDR-HNNXBMFYSA-N 2 0 341.446 2.122 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047245569 1235738281 /nfs/dbraw/zinc/73/82/81/1235738281.db2.gz ZVQAPUPPEJJLLD-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527562 1237871654 /nfs/dbraw/zinc/87/16/54/1237871654.db2.gz RXIDVQMHPKTONO-FCGDIQPGSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048557564 1237959438 /nfs/dbraw/zinc/95/94/38/1237959438.db2.gz PPAZRYZJJYMCLZ-OKYOBFRVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067023 1242765314 /nfs/dbraw/zinc/76/53/14/1242765314.db2.gz KNPQTFFAQWHZLW-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050575277 1243871048 /nfs/dbraw/zinc/87/10/48/1243871048.db2.gz ALQKXEAPKNGLRG-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC[C@@H](C)F)CC3)CC1 ZINC001050764770 1244317023 /nfs/dbraw/zinc/31/70/23/1244317023.db2.gz GZSKRUPEZIOVAV-QGZVFWFLSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039274 1245742047 /nfs/dbraw/zinc/74/20/47/1245742047.db2.gz DLQQLCIYHYZNOY-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001053092676 1245882681 /nfs/dbraw/zinc/88/26/81/1245882681.db2.gz IOXYPIJPWWLHKA-RBUKOAKNSA-N 2 0 342.487 2.390 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)O2 ZINC001053605837 1246522726 /nfs/dbraw/zinc/52/27/26/1246522726.db2.gz MTCHKEKXQBBXPO-ZWKOTPCHSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053674156 1246625394 /nfs/dbraw/zinc/62/53/94/1246625394.db2.gz JRTFJGLIQLQJKO-ROUUACIJSA-N 2 0 349.519 2.175 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255273 1246783729 /nfs/dbraw/zinc/78/37/29/1246783729.db2.gz YPTVENQIETUOBK-PMACEKPBSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054173466 1247607101 /nfs/dbraw/zinc/60/71/01/1247607101.db2.gz BYXYRHSPRIQXNN-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209727 1247725583 /nfs/dbraw/zinc/72/55/83/1247725583.db2.gz WKZUGDGJKOYBPE-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001074877927 1257185922 /nfs/dbraw/zinc/18/59/22/1257185922.db2.gz SAYUZLOKVPCPHT-KEYYUXOJSA-N 2 0 346.500 2.183 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)CC)CC1 ZINC001098461187 1257698036 /nfs/dbraw/zinc/69/80/36/1257698036.db2.gz SEGNIMTWDSDPGI-AITUJVMLSA-N 2 0 331.504 2.099 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766082 1259234559 /nfs/dbraw/zinc/23/45/59/1259234559.db2.gz OVESHXFKWFBGGP-DAWZGUTISA-N 2 0 339.524 2.040 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001185609070 1278715942 /nfs/dbraw/zinc/71/59/42/1278715942.db2.gz CNHKKLNBKUYVGH-WOJBJXKFSA-N 2 0 341.499 2.349 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](CC)CC ZINC001185609541 1278717024 /nfs/dbraw/zinc/71/70/24/1278717024.db2.gz KFMZXCZUFRRSBJ-PBHICJAKSA-N 2 0 348.516 2.431 20 30 EEEDRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC001192142483 1281843145 /nfs/dbraw/zinc/84/31/45/1281843145.db2.gz IOUQMESJWSUTRJ-SFHVURJKSA-N 2 0 347.890 2.176 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201839062 1289779671 /nfs/dbraw/zinc/77/96/71/1289779671.db2.gz IVOPMHFHDXHBBJ-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202509354 1296316748 /nfs/dbraw/zinc/31/67/48/1296316748.db2.gz ALAOTZGGJRORPG-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001215461184 1296910715 /nfs/dbraw/zinc/91/07/15/1296910715.db2.gz VKNUKLOINYHHPZ-CRAIPNDOSA-N 2 0 347.890 2.080 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099539236 1299197866 /nfs/dbraw/zinc/19/78/66/1299197866.db2.gz ZOMOCZBEPDHLFA-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222936773 1299925748 /nfs/dbraw/zinc/92/57/48/1299925748.db2.gz PEZDHUGKOGKZKO-QRVBRYPASA-N 2 0 342.487 2.416 20 30 EEEDRP C#CCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979730 1300638585 /nfs/dbraw/zinc/63/85/85/1300638585.db2.gz LUXATMOZXXXSAR-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)[C@H](C)C1 ZINC001102285159 1300739532 /nfs/dbraw/zinc/73/95/32/1300739532.db2.gz CQWXYXHFVRXDAL-BPQIPLTHSA-N 2 0 344.503 2.404 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103050122 1302130029 /nfs/dbraw/zinc/13/00/29/1302130029.db2.gz SXPVGGPNIVIAFS-FVQBIDKESA-N 2 0 347.906 2.493 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407570 1302918825 /nfs/dbraw/zinc/91/88/25/1302918825.db2.gz JNSPKQAIYLVOCG-FVQBIDKESA-N 2 0 329.916 2.399 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111817182 1303934915 /nfs/dbraw/zinc/93/49/15/1303934915.db2.gz SYKQJDUAUCGCKC-RXVVDRJESA-N 2 0 345.531 2.493 20 30 EEEDRP Cc1ccc(C#N)c(NC(=O)C23CC([NH2+]CC4CC[NH2+]CC4)(C2)C3)c1 ZINC001277824480 1304675198 /nfs/dbraw/zinc/67/51/98/1304675198.db2.gz SDTKRZRJTFLCDU-UHFFFAOYSA-N 2 0 338.455 2.317 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]32)CC1 ZINC001115290002 1304907554 /nfs/dbraw/zinc/90/75/54/1304907554.db2.gz LTEHYCPOXKYZNK-IJXRJRJASA-N 2 0 345.531 2.060 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246306349 1310276505 /nfs/dbraw/zinc/27/65/05/1310276505.db2.gz WHBXXLPDFASISX-IRXDYDNUSA-N 2 0 327.513 2.313 20 30 EEEDRP C[C@]1([NH3+])CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001246556337 1310341455 /nfs/dbraw/zinc/34/14/55/1310341455.db2.gz YXBNWTNBEVYDQY-FQEVSTJZSA-N 2 0 340.471 2.366 20 30 EEEDRP COc1cccc2c1c(C[NH3+])cn2-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160758985 1320259750 /nfs/dbraw/zinc/25/97/50/1320259750.db2.gz ABXXMYKWVTTZBV-UHFFFAOYSA-N 2 0 347.422 2.400 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202977301 1314780822 /nfs/dbraw/zinc/78/08/22/1314780822.db2.gz CGYOXAMBMDNXAC-JKSUJKDBSA-N 2 0 345.512 2.464 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C12CCC2 ZINC001203103948 1315057100 /nfs/dbraw/zinc/05/71/00/1315057100.db2.gz OMSMWPIPVQTLON-SJORKVTESA-N 2 0 328.460 2.111 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C12CCC2 ZINC001203103946 1315057191 /nfs/dbraw/zinc/05/71/91/1315057191.db2.gz OMSMWPIPVQTLON-IAGOWNOFSA-N 2 0 328.460 2.111 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033790 1316941232 /nfs/dbraw/zinc/94/12/32/1316941232.db2.gz MWGHYLMHHJUIBW-RHSMWYFYSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C#N)c1 ZINC001156525434 1318052765 /nfs/dbraw/zinc/05/27/65/1318052765.db2.gz OFXKCXQRMKEFPH-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001157887732 1318918125 /nfs/dbraw/zinc/91/81/25/1318918125.db2.gz YFQSXPAJBUIQPY-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029707 1318976634 /nfs/dbraw/zinc/97/66/34/1318976634.db2.gz MAXVXFMWFDAQTG-SJORKVTESA-N 2 0 325.472 2.003 20 30 EEEDRP Cc1c[nH+]ccc1N1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001158104534 1319017018 /nfs/dbraw/zinc/01/70/18/1319017018.db2.gz NDQRKXYWBXRDCB-UHFFFAOYSA-N 2 0 348.454 2.019 20 30 EEEDRP C[NH+]1CCC(N(c2cc(C#N)cc(Cl)n2)C2CC[NH2+]CC2)CC1 ZINC001158575362 1319316023 /nfs/dbraw/zinc/31/60/23/1319316023.db2.gz NKBBBSTYNRBGPJ-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP C[NH+]1CCC(N(c2nc3c(cc2C#N)CCC3)C2CC[NH2+]CC2)CC1 ZINC001158589660 1319322741 /nfs/dbraw/zinc/32/27/41/1319322741.db2.gz VWFMMAJYCGITFH-UHFFFAOYSA-N 2 0 339.487 2.095 20 30 EEEDRP N#Cc1cc(-c2ccnc(Cl)n2)c(N[C@H]([NH3+])CCC[NH3+])cc1F ZINC001159785333 1319990012 /nfs/dbraw/zinc/99/00/12/1319990012.db2.gz PDYFTOAPGVPPIM-AWEZNQCLSA-N 2 0 334.786 2.243 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160518930 1320181897 /nfs/dbraw/zinc/18/18/97/1320181897.db2.gz TWEVRHQUQAILAM-UHFFFAOYSA-N 2 0 337.508 2.058 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001161041653 1320364982 /nfs/dbraw/zinc/36/49/82/1320364982.db2.gz KURUYQHCOLLBPR-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429263 1320498048 /nfs/dbraw/zinc/49/80/48/1320498048.db2.gz STNCFRNVWAJHGB-UHFFFAOYSA-N 2 0 327.472 2.419 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001162997340 1321008745 /nfs/dbraw/zinc/00/87/45/1321008745.db2.gz RWLAWWGRRSGNOM-UHFFFAOYSA-N 2 0 329.488 2.319 20 30 EEEDRP N#Cc1c2c(cnc1N1CCC3(CCCC[NH2+]3)CC1)C[NH2+]CCC2 ZINC001165247339 1321483423 /nfs/dbraw/zinc/48/34/23/1321483423.db2.gz UYQUOICARIKVCY-UHFFFAOYSA-N 2 0 325.460 2.102 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203771425 1321957751 /nfs/dbraw/zinc/95/77/51/1321957751.db2.gz NOBSYLVCVUDUAP-ROUUACIJSA-N 2 0 349.519 2.082 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCO2)cc1C#N ZINC001276431067 1321998410 /nfs/dbraw/zinc/99/84/10/1321998410.db2.gz AQVDEVLDQNEICJ-RGPMPMONSA-N 2 0 328.460 2.161 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205290591 1322344137 /nfs/dbraw/zinc/34/41/37/1322344137.db2.gz LOKMSQUJKRJRIW-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CC#Cc3ccccc3)C2)CCC1 ZINC001208328353 1324428767 /nfs/dbraw/zinc/42/87/67/1324428767.db2.gz CXMSGSNMLCDQRV-LJQANCHMSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001208541646 1324551303 /nfs/dbraw/zinc/55/13/03/1324551303.db2.gz DWENSOLTOKIYNY-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP C[NH+](C)CC#CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001311592707 1331775510 /nfs/dbraw/zinc/77/55/10/1331775510.db2.gz YPNMFLJTVCVYCV-UHFFFAOYSA-N 2 0 342.487 2.037 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCC3)C2)CC1 ZINC001072096210 1370606039 /nfs/dbraw/zinc/60/60/39/1370606039.db2.gz VLGOWORLMKQSKH-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001370827757 1375053411 /nfs/dbraw/zinc/05/34/11/1375053411.db2.gz FCOZVGVEBQPNMM-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2C#N)CC1 ZINC001379453398 1380709998 /nfs/dbraw/zinc/70/99/98/1380709998.db2.gz VXFCIGHYHXUXGD-MRXNPFEDSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001379817822 1380904642 /nfs/dbraw/zinc/90/46/42/1380904642.db2.gz PWMPYPVKJBJNRT-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CCC(=C)C)C2)CC1 ZINC001752526175 1406317588 /nfs/dbraw/zinc/31/75/88/1406317588.db2.gz QTBBIMWIUPUEAC-IBGZPJMESA-N 2 0 345.531 2.468 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001393542697 1390464632 /nfs/dbraw/zinc/46/46/32/1390464632.db2.gz BOEXZUUAQDMLDD-UHFFFAOYSA-N 2 0 345.834 2.262 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001753555021 1406759292 /nfs/dbraw/zinc/75/92/92/1406759292.db2.gz MWPSDHXHIQATGJ-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001423131308 1400440314 /nfs/dbraw/zinc/44/03/14/1400440314.db2.gz QZHWKWOUKNHFAY-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)cc1 ZINC001425585324 1401642368 /nfs/dbraw/zinc/64/23/68/1401642368.db2.gz JEQQWMVLMJJSPU-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001425969646 1401824393 /nfs/dbraw/zinc/82/43/93/1401824393.db2.gz PVAUIQOSENRTDE-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001751978576 1406158365 /nfs/dbraw/zinc/15/83/65/1406158365.db2.gz DIOVPKMVAACVGJ-RBUKOAKNSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001100681888 1410695514 /nfs/dbraw/zinc/69/55/14/1410695514.db2.gz WPZUIVVLQZKZQU-UHFFFAOYSA-N 2 0 329.488 2.221 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089863405 782298136 /nfs/dbraw/zinc/29/81/36/782298136.db2.gz ZQCMBPVEFAFMDF-MANSERQUSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087313904 761597737 /nfs/dbraw/zinc/59/77/37/761597737.db2.gz BQHFFKPYFABCNM-IXDOHACOSA-N 2 0 331.504 2.264 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1CCC)C[C@@H](C)O2 ZINC001098603029 764968004 /nfs/dbraw/zinc/96/80/04/764968004.db2.gz JDELEZLLPDOXAH-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001098606167 765204703 /nfs/dbraw/zinc/20/47/03/765204703.db2.gz OXRYGGUTPVJONT-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089417179 768919617 /nfs/dbraw/zinc/91/96/17/768919617.db2.gz VZRKLCOLPVEZLG-KRWDZBQOSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077560 782870560 /nfs/dbraw/zinc/87/05/60/782870560.db2.gz FLIYZOTXUQUAII-QYZOEREBSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088130037 782950279 /nfs/dbraw/zinc/95/02/79/782950279.db2.gz SVZYEFCYSKUYAJ-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166548 783011261 /nfs/dbraw/zinc/01/12/61/783011261.db2.gz HBFVOFVXCHAGIM-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083031 773839289 /nfs/dbraw/zinc/83/92/89/773839289.db2.gz GWOJLFWAXUZKIM-ULQDDVLXSA-N 2 0 336.439 2.106 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980165981 773991243 /nfs/dbraw/zinc/99/12/43/773991243.db2.gz VTDJZLQNZQIPSA-UAGQMJEPSA-N 2 0 331.460 2.358 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980179957 774012712 /nfs/dbraw/zinc/01/27/12/774012712.db2.gz UFMABIGHKCYHCL-ULQDDVLXSA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC000980236218 774139075 /nfs/dbraw/zinc/13/90/75/774139075.db2.gz BXJXSHHKPWLAOX-KSZLIROESA-N 2 0 330.476 2.374 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997613191 790445363 /nfs/dbraw/zinc/44/53/63/790445363.db2.gz FPNKAQRKYRFGHM-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366333 777261915 /nfs/dbraw/zinc/26/19/15/777261915.db2.gz BQRYYQKMSJQQDL-HZPDHXFCSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831991 777327495 /nfs/dbraw/zinc/32/74/95/777327495.db2.gz PWZFSDLNRPTNJF-RDGPPVDQSA-N 2 0 343.515 2.360 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1occc1C[NH+](C)C ZINC001089856660 778344229 /nfs/dbraw/zinc/34/42/29/778344229.db2.gz ULSNNUHKEUBUNM-RANZSIQMSA-N 2 0 343.471 2.310 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCCC)C[C@]2(C)C1 ZINC000982298967 779623422 /nfs/dbraw/zinc/62/34/22/779623422.db2.gz SRDDMVMCFAXCKI-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001131799837 783257461 /nfs/dbraw/zinc/25/74/61/783257461.db2.gz XJDIKSQZYDBZCU-UHFFFAOYSA-N 2 0 349.478 2.162 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784371 783281188 /nfs/dbraw/zinc/28/11/88/783281188.db2.gz HWZIXDMUEVIKGW-XHSDSOJGSA-N 2 0 327.900 2.250 20 30 EEEDRP C[N@H+](CCC(=O)NCC[NH2+]Cc1ccccc1C#N)C1CCCCC1 ZINC001131815630 783298508 /nfs/dbraw/zinc/29/85/08/783298508.db2.gz MLSMCSXDEGXDBG-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001088337939 783557758 /nfs/dbraw/zinc/55/77/58/783557758.db2.gz RDEAUOSQPDPKNG-DLBZAZTESA-N 2 0 330.476 2.382 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244896 784178238 /nfs/dbraw/zinc/17/82/38/784178238.db2.gz WHRDMFWNMZSTLO-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135742920 784350381 /nfs/dbraw/zinc/35/03/81/784350381.db2.gz AWIGWLDJMPPNPS-QZTJIDSGSA-N 2 0 329.488 2.253 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860821 784649622 /nfs/dbraw/zinc/64/96/22/784649622.db2.gz HYODXRBGQZRYMS-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974408 784919986 /nfs/dbraw/zinc/91/99/86/784919986.db2.gz ORZXYMZITPZJOD-KGLIPLIRSA-N 2 0 348.329 2.500 20 30 EEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997034537 788526053 /nfs/dbraw/zinc/52/60/53/788526053.db2.gz QDIBWOORRIMNHW-MOPGFXCFSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946856360 788795891 /nfs/dbraw/zinc/79/58/91/788795891.db2.gz HIZCDBPRHXQRRT-QRVBRYPASA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098842135 789606233 /nfs/dbraw/zinc/60/62/33/789606233.db2.gz XSTDYRDECXQOEL-NSHGMRRFSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798769 805989434 /nfs/dbraw/zinc/98/94/34/805989434.db2.gz RJDXZASGKZHFBY-XWSJACJDSA-N 2 0 349.519 2.173 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001147359118 791799654 /nfs/dbraw/zinc/79/96/54/791799654.db2.gz LLYVFTCHGMSIQV-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737536 792597802 /nfs/dbraw/zinc/59/78/02/792597802.db2.gz MTRBDMGOQBRLJM-HBFSDRIKSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738482 792600392 /nfs/dbraw/zinc/60/03/92/792600392.db2.gz ZWCKZZOLUJACRP-POAQFYNOSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923206 792992715 /nfs/dbraw/zinc/99/27/15/792992715.db2.gz LXGILIPRPGTVOD-HKUYNNGSSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071102 793534281 /nfs/dbraw/zinc/53/42/81/793534281.db2.gz GBQAJCDJVMBVMP-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243664 794861804 /nfs/dbraw/zinc/86/18/04/794861804.db2.gz PNXISDWSPKMPPE-IAGOWNOFSA-N 2 0 345.487 2.442 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093363286 795090162 /nfs/dbraw/zinc/09/01/62/795090162.db2.gz YMNDYCLLPRKKTM-MSOLQXFVSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001093399241 795175917 /nfs/dbraw/zinc/17/59/17/795175917.db2.gz DNUPSUHRYSMWTA-UHFFFAOYSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249277 795288375 /nfs/dbraw/zinc/28/83/75/795288375.db2.gz FMXVQVFSDUUZNH-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582589 796423277 /nfs/dbraw/zinc/42/32/77/796423277.db2.gz RXVIBWNRKXDHSV-TZIWHRDSSA-N 2 0 339.483 2.356 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001171575292 796645086 /nfs/dbraw/zinc/64/50/86/796645086.db2.gz DJXJMZLEIVHGCA-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094933534 797047506 /nfs/dbraw/zinc/04/75/06/797047506.db2.gz UDDSJQSXWZNGMO-IMJJTQAJSA-N 2 0 331.485 2.026 20 30 EEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391420 798330107 /nfs/dbraw/zinc/33/01/07/798330107.db2.gz LTYZGOYFADGMPC-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176843800 798599501 /nfs/dbraw/zinc/59/95/01/798599501.db2.gz BCGGWIVNKRMKPM-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP N#Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930421 798634189 /nfs/dbraw/zinc/63/41/89/798634189.db2.gz JWZTUULBBJYADL-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC[C@@H](C)F)[C@H]3C2)CC1 ZINC001085100537 798674280 /nfs/dbraw/zinc/67/42/80/798674280.db2.gz KUACDCLVQUZJIA-LMMKCTJWSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@H](C)CC)[C@H]3C2)CC1 ZINC001085100681 798674334 /nfs/dbraw/zinc/67/43/34/798674334.db2.gz WSQOFCXCPIZTIH-GGPKGHCWSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001177316695 798856053 /nfs/dbraw/zinc/85/60/53/798856053.db2.gz FWJRRQXQSZHBDE-LJQANCHMSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001177335406 798869119 /nfs/dbraw/zinc/86/91/19/798869119.db2.gz AXVWOMWRTSBZCX-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001085353165 800396087 /nfs/dbraw/zinc/39/60/87/800396087.db2.gz QUIQVBZDDFUIIN-HZPDHXFCSA-N 2 0 327.900 2.488 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001181951593 800972821 /nfs/dbraw/zinc/97/28/21/800972821.db2.gz DUQKXUWVJBWARZ-YLJYHZDGSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001183129102 801469193 /nfs/dbraw/zinc/46/91/93/801469193.db2.gz IMFJMIPWPKLSNB-DYESRHJHSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081203 801500884 /nfs/dbraw/zinc/50/08/84/801500884.db2.gz FZXPOPKJQAUTND-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004444835 802057773 /nfs/dbraw/zinc/05/77/73/802057773.db2.gz BMDHMOASKALZCA-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086132715 802258081 /nfs/dbraw/zinc/25/80/81/802258081.db2.gz CKELADGTRBTSEA-OWCLPIDISA-N 2 0 327.900 2.344 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004525385 802295453 /nfs/dbraw/zinc/29/54/53/802295453.db2.gz GDVDKCWMSZRMLI-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C=C/Cl)C[C@H]2CC1 ZINC000946628180 802367862 /nfs/dbraw/zinc/36/78/62/802367862.db2.gz KKWNHPSIIAUJDI-YTBJJFHHSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001185167140 802370450 /nfs/dbraw/zinc/37/04/50/802370450.db2.gz CELVZUDCADPODB-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595020 802448056 /nfs/dbraw/zinc/44/80/56/802448056.db2.gz DZOSKDYUFKTZSF-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086456134 803004852 /nfs/dbraw/zinc/00/48/52/803004852.db2.gz SBLGSIAPNXDUFZ-JYJNAYRXSA-N 2 0 327.900 2.345 20 30 EEEDRP C=CCCC[NH+]1CCN(C(=O)CN(C)CCc2ccccc2)CC1 ZINC001113355676 808795105 /nfs/dbraw/zinc/79/51/05/808795105.db2.gz IKSUVSJFUSZDTK-UHFFFAOYSA-N 2 0 329.488 2.271 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001449402360 1094383446 /nfs/dbraw/zinc/38/34/46/1094383446.db2.gz NHAVPDKMPZIIKW-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001441445464 1095075864 /nfs/dbraw/zinc/07/58/64/1095075864.db2.gz WVPXWMFJLHPBEI-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001441763429 1095763230 /nfs/dbraw/zinc/76/32/30/1095763230.db2.gz ZHVREFYOSHRKTD-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831693 1095889648 /nfs/dbraw/zinc/88/96/48/1095889648.db2.gz FJHPLHFWAKRMJT-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001507037853 1115073966 /nfs/dbraw/zinc/07/39/66/1115073966.db2.gz ZMXDFAKVLYDYFS-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000072811329 216310185 /nfs/dbraw/zinc/31/01/85/216310185.db2.gz HOITWMIOTNHACO-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580791036 324130225 /nfs/dbraw/zinc/13/02/25/324130225.db2.gz WWCVUOBNGKBJDA-HNNXBMFYSA-N 2 0 326.448 2.203 20 30 EEEDRP COCCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000066243394 462866103 /nfs/dbraw/zinc/86/61/03/462866103.db2.gz DWOBBFLEIHFPIL-HOTGVXAUSA-N 2 0 332.492 2.215 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)C(C)C ZINC000159651290 463297254 /nfs/dbraw/zinc/29/72/54/463297254.db2.gz YJNCQZDCVBDFKW-GOSISDBHSA-N 2 0 336.524 2.422 20 30 EEEDRP Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000123812333 463370763 /nfs/dbraw/zinc/37/07/63/463370763.db2.gz DHIDDWDAMZAVRF-MRXNPFEDSA-N 2 0 343.475 2.017 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351901050 465430007 /nfs/dbraw/zinc/43/00/07/465430007.db2.gz QGTHDWHCZSLYGY-MRXNPFEDSA-N 2 0 336.524 2.399 20 30 EEEDRP C[NH+]=C(NCc1cc(F)ccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000125299128 463527781 /nfs/dbraw/zinc/52/77/81/463527781.db2.gz YJORLJPJYLXNDC-AWEZNQCLSA-N 2 0 336.430 2.458 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000187268746 464112107 /nfs/dbraw/zinc/11/21/07/464112107.db2.gz BVTVMKUUQPCESA-APWZRJJASA-N 2 0 327.472 2.139 20 30 EEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263798768 464196072 /nfs/dbraw/zinc/19/60/72/464196072.db2.gz ZZCXCRCCISCPSL-HDICACEKSA-N 2 0 349.519 2.008 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000579704450 468399107 /nfs/dbraw/zinc/39/91/07/468399107.db2.gz ACDBFRKHWJRJGX-QFBILLFUSA-N 2 0 330.472 2.395 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000264075656 464279602 /nfs/dbraw/zinc/27/96/02/464279602.db2.gz FRBLKMNWDKRMAK-OAHLLOKOSA-N 2 0 348.491 2.025 20 30 EEEDRP CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068178 464279630 /nfs/dbraw/zinc/27/96/30/464279630.db2.gz BZVPPYSDEMCPJI-JKSUJKDBSA-N 2 0 335.496 2.051 20 30 EEEDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937293 464377876 /nfs/dbraw/zinc/37/78/76/464377876.db2.gz JNQZOAJCXKDVAE-IBGZPJMESA-N 2 0 326.444 2.305 20 30 EEEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)N(C)CCC#N)c1 ZINC000264904414 464503007 /nfs/dbraw/zinc/50/30/07/464503007.db2.gz WVVUBEQHMLHTBV-MRXNPFEDSA-N 2 0 330.476 2.379 20 30 EEEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345720358 465893841 /nfs/dbraw/zinc/89/38/41/465893841.db2.gz YQYXSLAYAWKVET-UHFFFAOYSA-N 2 0 336.524 2.486 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333447568 466620209 /nfs/dbraw/zinc/62/02/09/466620209.db2.gz WZIIUWSCVVAGRR-UHFFFAOYSA-N 2 0 346.519 2.090 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000417527176 466876542 /nfs/dbraw/zinc/87/65/42/466876542.db2.gz MTVLYCMCGHQVFU-SFHVURJKSA-N 2 0 330.476 2.198 20 30 EEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000516085517 468012338 /nfs/dbraw/zinc/01/23/38/468012338.db2.gz KSXGEBCSRBNGTJ-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C[C@@H](CCC#N)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000602447175 469319875 /nfs/dbraw/zinc/31/98/75/469319875.db2.gz BSSZIKCPVZIYTB-INIZCTEOSA-N 2 0 336.524 2.342 20 30 EEEDRP C=CCCn1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000657425806 471133204 /nfs/dbraw/zinc/13/32/04/471133204.db2.gz PZWJZSHJYACBHE-UHFFFAOYSA-N 2 0 326.448 2.255 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021208 782133839 /nfs/dbraw/zinc/13/38/39/782133839.db2.gz CJUFPXJPCBVXMV-ZIAGYGMSSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CCOc1ccc(C[NH2+]CC2(COC)CC[NH2+]CC2)cc1OC ZINC000414964428 526884006 /nfs/dbraw/zinc/88/40/06/526884006.db2.gz YLOMRKLGYVTIOD-UHFFFAOYSA-N 2 0 334.460 2.366 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118914 674595006 /nfs/dbraw/zinc/59/50/06/674595006.db2.gz ZSLDMHNPMUVGTA-INIZCTEOSA-N 2 0 328.460 2.145 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021087813 675714672 /nfs/dbraw/zinc/71/46/72/675714672.db2.gz IAJBGCOKTHBHLV-OHDICMOHSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706549 676366721 /nfs/dbraw/zinc/36/67/21/676366721.db2.gz LSUMNIGWGIDXEV-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCSCC1 ZINC000261983707 676891795 /nfs/dbraw/zinc/89/17/95/676891795.db2.gz JEKRNILUIFCHHH-CQSZACIVSA-N 2 0 338.546 2.324 20 30 EEEDRP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261998902 677802738 /nfs/dbraw/zinc/80/27/38/677802738.db2.gz SZSDCNXAURUSCX-IFXJQAMLSA-N 2 0 342.487 2.255 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972419159 678714260 /nfs/dbraw/zinc/71/42/60/678714260.db2.gz BOXLPZFRSALPNW-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023507831 679346316 /nfs/dbraw/zinc/34/63/16/679346316.db2.gz AOZHTNDVRWZWKO-GOSISDBHSA-N 2 0 341.499 2.256 20 30 EEEDRP C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262803325 679553911 /nfs/dbraw/zinc/55/39/11/679553911.db2.gz RRZPHAWPKIXHQR-QGZVFWFLSA-N 2 0 336.524 2.065 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001024811862 681463693 /nfs/dbraw/zinc/46/36/93/681463693.db2.gz CFYWSLCHWSSLFO-AEFFLSMTSA-N 2 0 337.483 2.050 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000261719384 681616339 /nfs/dbraw/zinc/61/63/39/681616339.db2.gz WOTRNTYEEBDHJF-RCCFBDPRSA-N 2 0 346.519 2.126 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279438 682388386 /nfs/dbraw/zinc/38/83/86/682388386.db2.gz BQLHADYJQVNING-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453372 682794017 /nfs/dbraw/zinc/79/40/17/682794017.db2.gz QSHNQEHOVKURCU-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262370646 685680778 /nfs/dbraw/zinc/68/07/78/685680778.db2.gz FIDICCSZSSERSH-BBWFWOEESA-N 2 0 336.524 2.228 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000985809763 687743081 /nfs/dbraw/zinc/74/30/81/687743081.db2.gz CJBJCVKRPKMZMI-UHFFFAOYSA-N 2 0 331.460 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C[C@H]2C)CC1 ZINC000989829053 692371952 /nfs/dbraw/zinc/37/19/52/692371952.db2.gz NMRNOLLGXNITKX-XLIONFOSSA-N 2 0 339.483 2.111 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977335679 692478139 /nfs/dbraw/zinc/47/81/39/692478139.db2.gz MYIQKHGUPPWTKK-SFHVURJKSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752141030 1179310652 /nfs/dbraw/zinc/31/06/52/1179310652.db2.gz BXLUYKREYQHOQC-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001105438333 1187117807 /nfs/dbraw/zinc/11/78/07/1187117807.db2.gz DKTDAMVADKNJHC-HFSMHLIXSA-N 2 0 341.499 2.320 20 30 EEEDRP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001105487198 1188103657 /nfs/dbraw/zinc/10/36/57/1188103657.db2.gz URJAQGFDZAGEFM-PGYGNJIDSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001105487235 1188103677 /nfs/dbraw/zinc/10/36/77/1188103677.db2.gz WRBQGYYOEFVRCX-UHFFFAOYSA-N 2 0 349.519 2.178 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168301777 1188267306 /nfs/dbraw/zinc/26/73/06/1188267306.db2.gz DENYIXPWZYXQKV-UHFFFAOYSA-N 2 0 327.472 2.261 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001203431649 1188298695 /nfs/dbraw/zinc/29/86/95/1188298695.db2.gz ODWUDJRMKSSTPU-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001484047175 1191178153 /nfs/dbraw/zinc/17/81/53/1191178153.db2.gz IHMKKSTYKOOJLT-FQEVSTJZSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273128149 1194411445 /nfs/dbraw/zinc/41/14/45/1194411445.db2.gz PBMCORZYXLIRRP-HXUWFJFHSA-N 2 0 347.503 2.136 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001034786653 1196721556 /nfs/dbraw/zinc/72/15/56/1196721556.db2.gz PTXCLEGXKNHOAJ-ZOBUZTSGSA-N 2 0 325.884 2.242 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173532 1199388139 /nfs/dbraw/zinc/38/81/39/1199388139.db2.gz NMEWJNZOYPBHQB-DOTOQJQBSA-N 2 0 342.443 2.120 20 30 EEEDRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001132269136 1199508331 /nfs/dbraw/zinc/50/83/31/1199508331.db2.gz FVUXIDFAXCRQRI-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409533 1199676675 /nfs/dbraw/zinc/67/66/75/1199676675.db2.gz AOVXCHFJZYITJL-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001134750387 1199791136 /nfs/dbraw/zinc/79/11/36/1199791136.db2.gz WSXDCKMPJQYBIH-KRWDZBQOSA-N 2 0 345.462 2.148 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001133091927 1200434389 /nfs/dbraw/zinc/43/43/89/1200434389.db2.gz WNVJFSFPMMPGAZ-APWZRJJASA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCC(=C)C)C2)CC1 ZINC001133337690 1200761645 /nfs/dbraw/zinc/76/16/45/1200761645.db2.gz OYQHXTCNTZWSOW-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342197 1200766794 /nfs/dbraw/zinc/76/67/94/1200766794.db2.gz NOUNDSNXIKPODL-HKUYNNGSSA-N 2 0 341.499 2.459 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000930980149 1206597120 /nfs/dbraw/zinc/59/71/20/1206597120.db2.gz UAIBXIVPHDJEKJ-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000948705645 1209312478 /nfs/dbraw/zinc/31/24/78/1209312478.db2.gz ITKFANPRFOSWKE-MJGOQNOKSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC001006446124 1209795794 /nfs/dbraw/zinc/79/57/94/1209795794.db2.gz VORYKBIECCCSIH-KRWDZBQOSA-N 2 0 333.520 2.301 20 30 EEEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303774050 1213904137 /nfs/dbraw/zinc/90/41/37/1213904137.db2.gz FTBKUIKFGWPCLN-QZTJIDSGSA-N 3 0 337.556 2.276 20 30 EEEDRP CCCC(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000303879972 1213917140 /nfs/dbraw/zinc/91/71/40/1213917140.db2.gz GVIGUXJRUJZHFI-KRWDZBQOSA-N 2 0 345.491 2.314 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[NH+]2CCCC2)cc1 ZINC001037127857 1213954623 /nfs/dbraw/zinc/95/46/23/1213954623.db2.gz XIWONUITJCUWOH-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1 ZINC000304677805 1216083879 /nfs/dbraw/zinc/08/38/79/1216083879.db2.gz DIOKVVLETRTNOJ-AWEZNQCLSA-N 2 0 339.281 2.338 20 30 EEEDRP C[C@H]1CCCN(C(=[NH2+])NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000304816750 1216108307 /nfs/dbraw/zinc/10/83/07/1216108307.db2.gz XRXYUCMKIBMQNH-KRWDZBQOSA-N 2 0 336.524 2.316 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000960305143 1216483418 /nfs/dbraw/zinc/48/34/18/1216483418.db2.gz SUXRRRZTHDEFNR-XFQXTVEOSA-N 2 0 327.472 2.419 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410407 1217179469 /nfs/dbraw/zinc/17/94/69/1217179469.db2.gz HNKARFUJIZGFIM-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337105 1217531826 /nfs/dbraw/zinc/53/18/26/1217531826.db2.gz KTOCKEANZWYYQJ-ZWKOTPCHSA-N 2 0 342.487 2.079 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963368400 1217565173 /nfs/dbraw/zinc/56/51/73/1217565173.db2.gz WFWOVJDAPGKKNN-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383289 1217580042 /nfs/dbraw/zinc/58/00/42/1217580042.db2.gz MXDXPQIZFXASAQ-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000963809207 1218050523 /nfs/dbraw/zinc/05/05/23/1218050523.db2.gz XMQAUJQLPJPPBZ-KZYAKZRFSA-N 2 0 343.515 2.291 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663464 1226747345 /nfs/dbraw/zinc/74/73/45/1226747345.db2.gz RQXFPOHVNRFSSZ-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016930987 1226978529 /nfs/dbraw/zinc/97/85/29/1226978529.db2.gz OLMSXPSTSHEBFH-CABCVRRESA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054664615 1248828126 /nfs/dbraw/zinc/82/81/26/1248828126.db2.gz YSMVXKBCTUNYAN-HIFRSBDPSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001019631256 1229222598 /nfs/dbraw/zinc/22/25/98/1229222598.db2.gz WHSKPHDDRVOVRD-INIZCTEOSA-N 2 0 325.884 2.051 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019664993 1229240300 /nfs/dbraw/zinc/24/03/00/1229240300.db2.gz XJMQPHJJROYVKU-KRWDZBQOSA-N 2 0 349.438 2.024 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039155329 1230375834 /nfs/dbraw/zinc/37/58/34/1230375834.db2.gz QIEGWTRLXIATAS-LJQANCHMSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040705774 1231342913 /nfs/dbraw/zinc/34/29/13/1231342913.db2.gz KHVYHFRXXDIFPD-HZPDHXFCSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357422 1231518598 /nfs/dbraw/zinc/51/85/98/1231518598.db2.gz HHYXRFJUQQOSPE-TZIWHRDSSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041422418 1231540697 /nfs/dbraw/zinc/54/06/97/1231540697.db2.gz NUDQNZADKNAXCQ-FQEVSTJZSA-N 2 0 336.439 2.204 20 30 EEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041607677 1231622038 /nfs/dbraw/zinc/62/20/38/1231622038.db2.gz ZNITVZPHIRJAQW-LJQANCHMSA-N 2 0 331.460 2.455 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845924 1231728694 /nfs/dbraw/zinc/72/86/94/1231728694.db2.gz RVXLSXJXFGDVOM-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042124441 1231905241 /nfs/dbraw/zinc/90/52/41/1231905241.db2.gz GGRCEWHGOUZEGS-SJLPKXTDSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCC(=C)C)CC2)CC1 ZINC001045647224 1233880896 /nfs/dbraw/zinc/88/08/96/1233880896.db2.gz WTAYMJJZVDZTDK-UHFFFAOYSA-N 2 0 331.504 2.269 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673626 1233899291 /nfs/dbraw/zinc/89/92/91/1233899291.db2.gz VTZRCYNPYYGQQA-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045980397 1234271292 /nfs/dbraw/zinc/27/12/92/1234271292.db2.gz XLWQYUBGWXYKDM-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252537 1235753831 /nfs/dbraw/zinc/75/38/31/1235753831.db2.gz FDJVRAMUXUHMPC-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048590583 1238044002 /nfs/dbraw/zinc/04/40/02/1238044002.db2.gz OURXVMINABCNKP-RDGPPVDQSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003266 1239716793 /nfs/dbraw/zinc/71/67/93/1239716793.db2.gz FVWXIKBGSGUOFG-ZIFCJYIRSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290156 1240136448 /nfs/dbraw/zinc/13/64/48/1240136448.db2.gz OTMYPVVZCQVUKC-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000319636 1240166679 /nfs/dbraw/zinc/16/66/79/1240166679.db2.gz YOWFGEVKQRFOGC-HKUYNNGSSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049716996 1241976417 /nfs/dbraw/zinc/97/64/17/1241976417.db2.gz BYUGJPWXVXNHHN-HLIPFELVSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913390 1242674993 /nfs/dbraw/zinc/67/49/93/1242674993.db2.gz WPRXRMBYBQXWMY-RBUKOAKNSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC2CC2)CC1 ZINC001049922324 1242722779 /nfs/dbraw/zinc/72/27/79/1242722779.db2.gz YTHKXGSOYCPVPC-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899269 1242762751 /nfs/dbraw/zinc/76/27/51/1242762751.db2.gz PDSISCOGJSEIRQ-SFHVURJKSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001050212192 1243131994 /nfs/dbraw/zinc/13/19/94/1243131994.db2.gz UIORSPOMZLIRJB-FUHWJXTLSA-N 2 0 343.471 2.291 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517776 1243770136 /nfs/dbraw/zinc/77/01/36/1243770136.db2.gz FLJFPMVJOARGIT-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](F)CC)CC2)CC1 ZINC001052957641 1245555692 /nfs/dbraw/zinc/55/56/92/1245555692.db2.gz IGGBCRLHWNYBFB-ZWKOTPCHSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050047 1245769177 /nfs/dbraw/zinc/76/91/77/1245769177.db2.gz BKEZMHQPZDNVKJ-MOPGFXCFSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281548 1248000095 /nfs/dbraw/zinc/00/00/95/1248000095.db2.gz PPMXXILLUDRGEN-BEFAXECRSA-N 2 0 327.472 2.392 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O2 ZINC001071198753 1254045510 /nfs/dbraw/zinc/04/55/10/1254045510.db2.gz DLBRADNUUMBKAN-FXAWDEMLSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099664 1254929576 /nfs/dbraw/zinc/92/95/76/1254929576.db2.gz VJQJIFHYCRQFDM-FUHWJXTLSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001099131041 1257981409 /nfs/dbraw/zinc/98/14/09/1257981409.db2.gz VVSPMAWRJOUJTL-SFHVURJKSA-N 2 0 342.487 2.148 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C(F)(F)F ZINC001099268601 1258052426 /nfs/dbraw/zinc/05/24/26/1258052426.db2.gz HGHXXCHROPPFFN-ZIAGYGMSSA-N 2 0 345.409 2.027 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086730360 1278188476 /nfs/dbraw/zinc/18/84/76/1278188476.db2.gz NQVARMGLTIGSAC-JKSUJKDBSA-N 2 0 339.911 2.489 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062098 1287259567 /nfs/dbraw/zinc/25/95/67/1287259567.db2.gz HSOXIHRFDDCBTA-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600811 1282626026 /nfs/dbraw/zinc/62/60/26/1282626026.db2.gz MELVSTPMYXRYTH-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194229368 1282933735 /nfs/dbraw/zinc/93/37/35/1282933735.db2.gz WSBOVLNHKNKFCK-IBGZPJMESA-N 2 0 345.487 2.097 20 30 EEEDRP C=CCCC[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366406 1284051879 /nfs/dbraw/zinc/05/18/79/1284051879.db2.gz LKDSFYVCTTVKGF-UHFFFAOYSA-N 2 0 330.476 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@H](C)CCC=C)CC2)CC1 ZINC001198236662 1285048061 /nfs/dbraw/zinc/04/80/61/1285048061.db2.gz SCHYFWBFSNRTDP-GOSISDBHSA-N 2 0 331.504 2.221 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558267 1289666056 /nfs/dbraw/zinc/66/60/56/1289666056.db2.gz NGOQLIMJVWXWLS-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697496 1297409957 /nfs/dbraw/zinc/40/99/57/1297409957.db2.gz KVZOYVNBCYSECI-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727384 1297778514 /nfs/dbraw/zinc/77/85/14/1297778514.db2.gz XQFGEDBFIYLPNR-CVEARBPZSA-N 2 0 332.448 2.225 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001218953210 1297878763 /nfs/dbraw/zinc/87/87/63/1297878763.db2.gz JKUHPMNBMSFEHV-LBPRGKRZSA-N 2 0 328.338 2.233 20 30 EEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001219464577 1298032573 /nfs/dbraw/zinc/03/25/73/1298032573.db2.gz BBYYBXMIJLACEW-HNNXBMFYSA-N 2 0 325.416 2.104 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143314 1300912678 /nfs/dbraw/zinc/91/26/78/1300912678.db2.gz WYAHVAFEHZRJEP-HXUWFJFHSA-N 2 0 329.488 2.478 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227793096 1301967995 /nfs/dbraw/zinc/96/79/95/1301967995.db2.gz ZZWREFISQYTPSE-GOSISDBHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229807147 1302951126 /nfs/dbraw/zinc/95/11/26/1302951126.db2.gz QJSPTQMZIFQWOO-INIZCTEOSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001103436311 1302959011 /nfs/dbraw/zinc/95/90/11/1302959011.db2.gz SUDQFFAIUYWPFQ-KBAYOESNSA-N 2 0 344.503 2.404 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)C)CC1 ZINC001230251756 1303127712 /nfs/dbraw/zinc/12/77/12/1303127712.db2.gz HKWTYMDRAHIPNN-RTBURBONSA-N 2 0 333.520 2.395 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592365 1303300800 /nfs/dbraw/zinc/30/08/00/1303300800.db2.gz ZZVZDTWSSDEFDF-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H](CO)C[N@@H+]1CCC[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998885 1305642143 /nfs/dbraw/zinc/64/21/43/1305642143.db2.gz SLDGEYANBDEMDX-PXNSSMCTSA-N 2 0 344.503 2.203 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041576 1309293658 /nfs/dbraw/zinc/29/36/58/1309293658.db2.gz YUQQLWQFDSAQKC-UHFFFAOYSA-N 2 0 339.524 2.330 20 30 EEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001121111040 1309917732 /nfs/dbraw/zinc/91/77/32/1309917732.db2.gz CAHDKVPENXKWTR-WZXTXQKWSA-N 2 0 331.504 2.311 20 30 EEEDRP N#Cc1ccc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)c2ccccc12 ZINC001247829800 1310734138 /nfs/dbraw/zinc/73/41/38/1310734138.db2.gz JRMXXEGTBQAGLQ-MRXNPFEDSA-N 2 0 331.379 2.038 20 30 EEEDRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834505689 1314846308 /nfs/dbraw/zinc/84/63/08/1314846308.db2.gz MVMQRSSUIWYMBI-VQTJNVASSA-N 2 0 348.450 2.160 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451858 1316266976 /nfs/dbraw/zinc/26/69/76/1316266976.db2.gz ARYZCKTYTAGLAK-MSOLQXFVSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001150580742 1316306363 /nfs/dbraw/zinc/30/63/63/1316306363.db2.gz ZIMRHUCWNSZGKI-RTBURBONSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606582 1316314094 /nfs/dbraw/zinc/31/40/94/1316314094.db2.gz HGOPTFXURNTHRE-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150624802 1316320102 /nfs/dbraw/zinc/32/01/02/1316320102.db2.gz GQURQYHCZJUFTD-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001151352302 1316510851 /nfs/dbraw/zinc/51/08/51/1316510851.db2.gz XPRIIXRQSPTKNY-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152148861 1316638211 /nfs/dbraw/zinc/63/82/11/1316638211.db2.gz SEXZWLFKWHMZHL-IYBDPMFKSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904142 1317378294 /nfs/dbraw/zinc/37/82/94/1317378294.db2.gz MMKIJINEIBEYOW-GOSISDBHSA-N 2 0 329.488 2.207 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206654034 1317504428 /nfs/dbraw/zinc/50/44/28/1317504428.db2.gz SYVGFRHYCOVRGS-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP [NH2+]=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC001252945046 1317734647 /nfs/dbraw/zinc/73/46/47/1317734647.db2.gz WJHQLLWWTRNSES-GOSISDBHSA-N 2 0 344.846 2.077 20 30 EEEDRP CCN(Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113316 1318415098 /nfs/dbraw/zinc/41/50/98/1318415098.db2.gz HITDXYJSUGQUBU-OAHLLOKOSA-N 2 0 348.466 2.364 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001157887034 1318918029 /nfs/dbraw/zinc/91/80/29/1318918029.db2.gz PTMVIUTUVVLCBZ-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131478 1320079159 /nfs/dbraw/zinc/07/91/59/1320079159.db2.gz NGNOQMBOYRQIAT-RBUKOAKNSA-N 2 0 329.488 2.023 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722731 1320599781 /nfs/dbraw/zinc/59/97/81/1320599781.db2.gz DKXJBXCAIIXGAU-UHFFFAOYSA-N 2 0 328.460 2.476 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001162826509 1320969201 /nfs/dbraw/zinc/96/92/01/1320969201.db2.gz FRIDLNUJSHTCAC-FQEVSTJZSA-N 2 0 341.499 2.155 20 30 EEEDRP N#Cc1c(NC[C@@H]2Cc3ccccc3C[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001163269554 1321082832 /nfs/dbraw/zinc/08/28/32/1321082832.db2.gz AYKMDGMMMBSQPX-KRWDZBQOSA-N 2 0 333.439 2.115 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531824 1321409576 /nfs/dbraw/zinc/40/95/76/1321409576.db2.gz TXJIJSWLXZYCKU-HOTGVXAUSA-N 2 0 339.911 2.489 20 30 EEEDRP C=CC[NH2+]CC1(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001166380890 1321709197 /nfs/dbraw/zinc/70/91/97/1321709197.db2.gz PMIZNHPEVQOVFN-UHFFFAOYSA-N 2 0 329.488 2.466 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205644817 1323226827 /nfs/dbraw/zinc/22/68/27/1323226827.db2.gz HMRFXAAFZNWSBP-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001208542316 1324551950 /nfs/dbraw/zinc/55/19/50/1324551950.db2.gz NUJJEPSEBROOKW-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(CCCc3ccc(C#N)cc3)CC2)CC1 ZINC001208864111 1324697352 /nfs/dbraw/zinc/69/73/52/1324697352.db2.gz IOFDRZPTHCNTEF-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001209323020 1324901837 /nfs/dbraw/zinc/90/18/37/1324901837.db2.gz DALKJQKZJCPOQK-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210645831 1325365647 /nfs/dbraw/zinc/36/56/47/1325365647.db2.gz UZHBKAIAWIKHOY-OALUTQOASA-N 2 0 327.472 2.283 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001210750865 1325413998 /nfs/dbraw/zinc/41/39/98/1325413998.db2.gz MSQNKDCSNMWDQU-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CCCCCNC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001574544603 1343681496 /nfs/dbraw/zinc/68/14/96/1343681496.db2.gz FDWSNPUTJXVDQV-UHFFFAOYSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120020392 1367299922 /nfs/dbraw/zinc/29/99/22/1367299922.db2.gz CEPTZUSFPZXHJH-UHFFFAOYSA-N 2 0 328.460 2.193 20 30 EEEDRP C=CCNC(=[NH2+])NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000849076554 1373204143 /nfs/dbraw/zinc/20/41/43/1373204143.db2.gz LDTFBJWDRGAAOF-IRXDYDNUSA-N 2 0 344.503 2.496 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001367715244 1374242044 /nfs/dbraw/zinc/24/20/44/1374242044.db2.gz OPWTVOJGLIDFOD-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C[NH+](C)CC1(C(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC001369847241 1374678714 /nfs/dbraw/zinc/67/87/14/1374678714.db2.gz XOXRDSQGBGUXRJ-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC1)[NH+](C)C ZINC001370221638 1374846707 /nfs/dbraw/zinc/84/67/07/1374846707.db2.gz HCFCTJKGIRGCKE-ROUUACIJSA-N 2 0 346.450 2.022 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001377395348 1379202965 /nfs/dbraw/zinc/20/29/65/1379202965.db2.gz RZZOOUWBWCXIIZ-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379015366 1380391431 /nfs/dbraw/zinc/39/14/31/1380391431.db2.gz BYMXTOVMDDIWGE-OAHLLOKOSA-N 2 0 325.884 2.194 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001393057858 1390297242 /nfs/dbraw/zinc/29/72/42/1390297242.db2.gz NOJVVOGZQPQBEV-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001393086206 1390313349 /nfs/dbraw/zinc/31/33/49/1390313349.db2.gz XBOZCSWBCQLTKW-HNNXBMFYSA-N 2 0 327.900 2.345 20 30 EEEDRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001752894652 1406523780 /nfs/dbraw/zinc/52/37/80/1406523780.db2.gz KSKNIYLTTODOAG-RYRKJORJSA-N 2 0 345.462 2.002 20 30 EEEDRP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001753196482 1406712874 /nfs/dbraw/zinc/71/28/74/1406712874.db2.gz JSBXFMADOLAXAV-UHFFFAOYSA-N 2 0 347.890 2.224 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)[NH+](C)C ZINC001424166497 1400943477 /nfs/dbraw/zinc/94/34/77/1400943477.db2.gz XIEMIJPIOOGNRD-QGZVFWFLSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271724 1407281633 /nfs/dbraw/zinc/28/16/33/1407281633.db2.gz VWNOKWVYVSTKIR-ROUUACIJSA-N 2 0 341.499 2.323 20 30 EEEDRP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC001576385826 1403570704 /nfs/dbraw/zinc/57/07/04/1403570704.db2.gz YQLFBIIPUFBICK-NXHRZFHOSA-N 2 0 326.444 2.253 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001755464738 1407499800 /nfs/dbraw/zinc/49/98/00/1407499800.db2.gz PDZFNKMHKCLENP-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001121790807 1410243724 /nfs/dbraw/zinc/24/37/24/1410243724.db2.gz CXBKFCWHMNUFLD-UFQJCFOOSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100406032 1410651152 /nfs/dbraw/zinc/65/11/52/1410651152.db2.gz YJAGZLBJQZGMIG-TVPLGVNVSA-N 2 0 349.519 2.080 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030317 782402294 /nfs/dbraw/zinc/40/22/94/782402294.db2.gz NGTJNKNAASUULB-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104622384 762067150 /nfs/dbraw/zinc/06/71/50/762067150.db2.gz VMMZBIVQZGPABW-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cncc1C)C2 ZINC001112470319 756996446 /nfs/dbraw/zinc/99/64/46/756996446.db2.gz IRFRMHKLCFAMEY-HKUYNNGSSA-N 2 0 330.476 2.376 20 30 EEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167093870 757260764 /nfs/dbraw/zinc/26/07/64/757260764.db2.gz UBMJYCAEDAXQQW-SJORKVTESA-N 2 0 335.879 2.180 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3CCC3)[C@H](C)C2)CC1 ZINC001075367592 757449166 /nfs/dbraw/zinc/44/91/66/757449166.db2.gz UZNRQEKWGKCZPI-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104373420 759872805 /nfs/dbraw/zinc/87/28/05/759872805.db2.gz OFYAHUBNHKJZQL-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449985 760441927 /nfs/dbraw/zinc/44/19/27/760441927.db2.gz XFUXVBDDQIJLQL-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457520 760815573 /nfs/dbraw/zinc/81/55/73/760815573.db2.gz VFSMLHJVEAMICZ-GOSISDBHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098606781 765221797 /nfs/dbraw/zinc/22/17/97/765221797.db2.gz VKXWZIQJBHHPSY-ZWKOTPCHSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105097132 769060213 /nfs/dbraw/zinc/06/02/13/769060213.db2.gz KLVGATSRIUGODI-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089560831 770361008 /nfs/dbraw/zinc/36/10/08/770361008.db2.gz IETSCBFSQMRGBD-GOSISDBHSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979999347 773689010 /nfs/dbraw/zinc/68/90/10/773689010.db2.gz JBRDFBLJQDSNOK-GBESFXJTSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734827 774811715 /nfs/dbraw/zinc/81/17/15/774811715.db2.gz YPZDTUAGMHIXPN-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045705 776774800 /nfs/dbraw/zinc/77/48/00/776774800.db2.gz OORZEDLGTPRLPU-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981769112 778184325 /nfs/dbraw/zinc/18/43/25/778184325.db2.gz XUZXJELYWDGWHP-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981865672 778421448 /nfs/dbraw/zinc/42/14/48/778421448.db2.gz VHCNIDGFCVSHPU-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703026 778708606 /nfs/dbraw/zinc/70/86/06/778708606.db2.gz QORVEYXJNVAXJW-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006398 778843822 /nfs/dbraw/zinc/84/38/22/778843822.db2.gz GATNECSEPKLFLQ-MOPGFXCFSA-N 2 0 327.472 2.052 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279893 779519106 /nfs/dbraw/zinc/51/91/06/779519106.db2.gz LUCYXMHXDJRPJD-UKAVVXHISA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC000982298945 779623844 /nfs/dbraw/zinc/62/38/44/779623844.db2.gz SACYNCABZHWMKJ-JYAXBFRTSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164810 781823026 /nfs/dbraw/zinc/82/30/26/781823026.db2.gz SDKHQZAAJUNIHG-RBSFLKMASA-N 2 0 347.425 2.109 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001088315467 783483760 /nfs/dbraw/zinc/48/37/60/783483760.db2.gz YICOCKNDNAAJDR-DLBZAZTESA-N 2 0 339.911 2.442 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001135314790 783597181 /nfs/dbraw/zinc/59/71/81/783597181.db2.gz HGQSJPLODQSHNF-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135314711 783597381 /nfs/dbraw/zinc/59/73/81/783597381.db2.gz GAGWPVKYJOYWKF-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135317299 783600661 /nfs/dbraw/zinc/60/06/61/783600661.db2.gz XKXBBWOZBVHTGQ-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001035052387 783659115 /nfs/dbraw/zinc/65/91/15/783659115.db2.gz MLARBIKMCZVTEY-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC001135478089 783868757 /nfs/dbraw/zinc/86/87/57/783868757.db2.gz WHWWOMOXUHJKDW-GOSISDBHSA-N 2 0 348.466 2.270 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185888226 784089717 /nfs/dbraw/zinc/08/97/17/784089717.db2.gz ABDQAVSMVFIJGW-UHFFFAOYSA-N 2 0 329.488 2.204 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035227131 784115196 /nfs/dbraw/zinc/11/51/96/784115196.db2.gz OMHMCMOSHZKKBM-ROUUACIJSA-N 2 0 333.520 2.465 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882297 784666486 /nfs/dbraw/zinc/66/64/86/784666486.db2.gz KHPYJBOSJGMGBZ-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980918 784907799 /nfs/dbraw/zinc/90/77/99/784907799.db2.gz UXGPNSBFDXHKSR-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035731140 785034895 /nfs/dbraw/zinc/03/48/95/785034895.db2.gz GOKKMWWXJBCYMQ-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001036103791 785841675 /nfs/dbraw/zinc/84/16/75/785841675.db2.gz SALURKWXNQFLEK-WBVHZDCISA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036130729 785886680 /nfs/dbraw/zinc/88/66/80/785886680.db2.gz IISQZWBOBBZCCJ-HIFRSBDPSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1(C)C ZINC000996325549 786268064 /nfs/dbraw/zinc/26/80/64/786268064.db2.gz MHKICRSGYJQHER-NFAWXSAZSA-N 2 0 336.867 2.103 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996508540 786469734 /nfs/dbraw/zinc/46/97/34/786469734.db2.gz VHTDBGONAZPDEG-PXNSSMCTSA-N 2 0 329.488 2.476 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439329 787247800 /nfs/dbraw/zinc/24/78/00/787247800.db2.gz WDOGCVWVKGECTN-SOLBZPMBSA-N 2 0 339.911 2.440 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735544 787671647 /nfs/dbraw/zinc/67/16/47/787671647.db2.gz KQBZXJPYINBGJK-KRWDZBQOSA-N 2 0 345.443 2.218 20 30 EEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000996996939 788427938 /nfs/dbraw/zinc/42/79/38/788427938.db2.gz AUKCANOWWRUNPY-GOSISDBHSA-N 2 0 325.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997169315 789320337 /nfs/dbraw/zinc/32/03/37/789320337.db2.gz YNMPLCLWBGFVSX-UHFFFAOYSA-N 2 0 339.911 2.442 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001147358616 791798909 /nfs/dbraw/zinc/79/89/09/791798909.db2.gz HILTWEQNVQUHLI-FQEVSTJZSA-N 2 0 341.499 2.399 20 30 EEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098952 792121600 /nfs/dbraw/zinc/12/16/00/792121600.db2.gz ZJRUGHLFOQYYSI-JKSUJKDBSA-N 2 0 327.488 2.459 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924630 792996350 /nfs/dbraw/zinc/99/63/50/792996350.db2.gz XVVKFTMLKAGQTI-RCCFBDPRSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001086930819 793061248 /nfs/dbraw/zinc/06/12/48/793061248.db2.gz RHYONUWSTSDGHQ-INIZCTEOSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C/C=C\Cl)CC3)CC1 ZINC000992510253 794455379 /nfs/dbraw/zinc/45/53/79/794455379.db2.gz PFIWIZYAONJPNG-OEFHSZDZSA-N 2 0 349.906 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730860 794676713 /nfs/dbraw/zinc/67/67/13/794676713.db2.gz KIVAWRUEWHTPBK-NVXWUHKLSA-N 2 0 345.512 2.369 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755366 794785996 /nfs/dbraw/zinc/78/59/96/794785996.db2.gz VMEZZLVWHGFBBD-VQIMIIECSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093382652 795123887 /nfs/dbraw/zinc/12/38/87/795123887.db2.gz CMBULRBYJSRXAV-OALUTQOASA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853970 795502514 /nfs/dbraw/zinc/50/25/14/795502514.db2.gz CBGAWVHNAWWOCY-SJORKVTESA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959841 795610435 /nfs/dbraw/zinc/61/04/35/795610435.db2.gz RXFGWCBAQKJLBE-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000153471234 795657976 /nfs/dbraw/zinc/65/79/76/795657976.db2.gz BSLLZPGPGAKELE-QGZVFWFLSA-N 2 0 336.524 2.065 20 30 EEEDRP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000153471300 795658170 /nfs/dbraw/zinc/65/81/70/795658170.db2.gz BSLLZPGPGAKELE-KRWDZBQOSA-N 2 0 336.524 2.065 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106517076 795755096 /nfs/dbraw/zinc/75/50/96/795755096.db2.gz VCPQPTCRTXMLMQ-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497882 796290499 /nfs/dbraw/zinc/29/04/99/796290499.db2.gz OZWQHHFJIOQJCQ-PNYFIKQUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC)CC3)CC1 ZINC001094582006 796422671 /nfs/dbraw/zinc/42/26/71/796422671.db2.gz JGXUYHOFGOFNOX-UYAOXDASSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547856 806513099 /nfs/dbraw/zinc/51/30/99/806513099.db2.gz UDRGCRMRISBLIP-NSHGMRRFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125909 796669737 /nfs/dbraw/zinc/66/97/37/796669737.db2.gz WIMGTHLNFUCZNH-IPMKNSEASA-N 2 0 327.472 2.097 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226528 796678269 /nfs/dbraw/zinc/67/82/69/796678269.db2.gz FNAUYPXNRLIXDM-CEXWTWQISA-N 2 0 327.472 2.098 20 30 EEEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C[C@H]1C#N ZINC001172982604 797180998 /nfs/dbraw/zinc/18/09/98/797180998.db2.gz DSNUWCXAPMGWBU-CVEARBPZSA-N 2 0 348.491 2.354 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241437 797346040 /nfs/dbraw/zinc/34/60/40/797346040.db2.gz SDZYEZGFNKZLOU-RTBURBONSA-N 2 0 345.487 2.143 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001002146126 797624596 /nfs/dbraw/zinc/62/45/96/797624596.db2.gz XENNCKKYMDSMMY-UHFFFAOYSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262281 798058902 /nfs/dbraw/zinc/05/89/02/798058902.db2.gz FGRLTOLFAAQOEP-QAPCUYQASA-N 2 0 325.472 2.097 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)CC1 ZINC001176736390 798542330 /nfs/dbraw/zinc/54/23/30/798542330.db2.gz BPHPJUGGDBKFDS-KRWDZBQOSA-N 2 0 333.520 2.396 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978585 798591163 /nfs/dbraw/zinc/59/11/63/798591163.db2.gz ZWCDODGHCOWEQU-QRVBRYPASA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCCCCC2)CC1 ZINC001176925756 798630143 /nfs/dbraw/zinc/63/01/43/798630143.db2.gz AJARQLVFULQQGI-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001177316781 798855620 /nfs/dbraw/zinc/85/56/20/798855620.db2.gz GZCDYPOSVOVRES-PMACEKPBSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001177335407 798869437 /nfs/dbraw/zinc/86/94/37/798869437.db2.gz AXVWOMWRTSBZCX-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001177489305 798979561 /nfs/dbraw/zinc/97/95/61/798979561.db2.gz ZJAZTTDQNZZNDY-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178890994 799676809 /nfs/dbraw/zinc/67/68/09/799676809.db2.gz LKEQRGXGVNQBIK-BZSNNMDCSA-N 2 0 337.508 2.031 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001003629907 799919475 /nfs/dbraw/zinc/91/94/75/799919475.db2.gz GQBGEDDQKFEOGO-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CCC[NH+](C)C ZINC001179435113 799920612 /nfs/dbraw/zinc/92/06/12/799920612.db2.gz JWCAFTKLBCHMQA-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001183043770 801438440 /nfs/dbraw/zinc/43/84/40/801438440.db2.gz YKPKVGZOSSEVPS-QGZVFWFLSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458484 802123201 /nfs/dbraw/zinc/12/32/01/802123201.db2.gz PJTAJVZBEXWDDP-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185294347 802448061 /nfs/dbraw/zinc/44/80/61/802448061.db2.gz PHGBRBNAUBMEPQ-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001108285212 803171228 /nfs/dbraw/zinc/17/12/28/803171228.db2.gz RUYRPFFSNJPIHW-PKOBYXMFSA-N 2 0 339.524 2.136 20 30 EEEDRP N#Cc1cnnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170525612 812254336 /nfs/dbraw/zinc/25/43/36/812254336.db2.gz KPGXSMISGNFDOG-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001440359680 1093520084 /nfs/dbraw/zinc/52/00/84/1093520084.db2.gz PBGZAVYIWRUEDY-JYJNAYRXSA-N 2 0 327.900 2.488 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198554 1096478188 /nfs/dbraw/zinc/47/81/88/1096478188.db2.gz HAPHTQIIXGLJSC-HUUCEWRRSA-N 2 0 348.516 2.479 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001495959876 1101834109 /nfs/dbraw/zinc/83/41/09/1101834109.db2.gz PEZJKLNSGWOYRO-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166468 781950314 /nfs/dbraw/zinc/95/03/14/781950314.db2.gz VSTXGSRJRCCZEQ-RRFJBIMHSA-N 2 0 347.425 2.273 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653428 782021847 /nfs/dbraw/zinc/02/18/47/782021847.db2.gz WYNGBUCVAWSMMY-FUHWJXTLSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000157693554 463158529 /nfs/dbraw/zinc/15/85/29/463158529.db2.gz CEODGBMYUCXVBB-FQEVSTJZSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CC[N@H+](CC1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261785443 463859144 /nfs/dbraw/zinc/85/91/44/463859144.db2.gz PSLJYQMHQXPGMT-OAHLLOKOSA-N 2 0 326.448 2.211 20 30 EEEDRP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261994244 463919729 /nfs/dbraw/zinc/91/97/29/463919729.db2.gz RZYDKMHEFVMWHE-VUCAUUSGSA-N 2 0 338.499 2.220 20 30 EEEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C[C@H](C)O1 ZINC000262006636 463924439 /nfs/dbraw/zinc/92/44/39/463924439.db2.gz RTUDGRBTEGHHLM-IYBDPMFKSA-N 2 0 332.492 2.275 20 30 EEEDRP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1CCC[N@@H+]1C ZINC000262720506 464039222 /nfs/dbraw/zinc/03/92/22/464039222.db2.gz FODNQPYSNUBGGN-HNNXBMFYSA-N 2 0 331.439 2.109 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293478535 464407028 /nfs/dbraw/zinc/40/70/28/464407028.db2.gz FOHZHRXTJXELKR-UHFFFAOYSA-N 2 0 339.483 2.114 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343756530 465550937 /nfs/dbraw/zinc/55/09/37/465550937.db2.gz YYYPXPWBQJLVGE-PXNSSMCTSA-N 2 0 326.488 2.210 20 30 EEEDRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424156793 466993351 /nfs/dbraw/zinc/99/33/51/466993351.db2.gz QCAFSFYDHGFWSP-YJBOKZPZSA-N 2 0 344.459 2.367 20 30 EEEDRP Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1C#N ZINC000443974802 467581374 /nfs/dbraw/zinc/58/13/74/467581374.db2.gz WLPSVEVUQZIJNN-UHFFFAOYSA-N 2 0 335.455 2.303 20 30 EEEDRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000515386424 467989736 /nfs/dbraw/zinc/98/97/36/467989736.db2.gz NJBLGCAJSQKGSW-SFHVURJKSA-N 2 0 343.475 2.168 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516935157 468057164 /nfs/dbraw/zinc/05/71/64/468057164.db2.gz MGEGUFGXGKIQFE-MSOLQXFVSA-N 2 0 341.455 2.378 20 30 EEEDRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440657 468589445 /nfs/dbraw/zinc/58/94/45/468589445.db2.gz HKCMOTPGIZJRSF-LJQANCHMSA-N 2 0 342.487 2.487 20 30 EEEDRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1C#N)[NH+]1CCCCC1 ZINC000600734727 468641634 /nfs/dbraw/zinc/64/16/34/468641634.db2.gz KHWBGVHHJXSURJ-WMZOPIPTSA-N 2 0 331.460 2.152 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000598729004 468975955 /nfs/dbraw/zinc/97/59/55/468975955.db2.gz GTAULBQIBSBPMA-RBUKOAKNSA-N 2 0 345.487 2.034 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000598729003 468976239 /nfs/dbraw/zinc/97/62/39/468976239.db2.gz GTAULBQIBSBPMA-OALUTQOASA-N 2 0 345.487 2.034 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000598729005 468976742 /nfs/dbraw/zinc/97/67/42/468976742.db2.gz GTAULBQIBSBPMA-RTBURBONSA-N 2 0 345.487 2.034 20 30 EEEDRP N#CCC1(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000602802870 469085846 /nfs/dbraw/zinc/08/58/46/469085846.db2.gz WOZJCXTZVVGBLR-UHFFFAOYSA-N 2 0 346.519 2.384 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000609133425 469894558 /nfs/dbraw/zinc/89/45/58/469894558.db2.gz BOUKSSRDQOKENI-LJQANCHMSA-N 2 0 345.487 2.350 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702349 470281860 /nfs/dbraw/zinc/28/18/60/470281860.db2.gz FSEYVUIIPMUMFC-NRFANRHFSA-N 2 0 343.515 2.254 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652147275 471244645 /nfs/dbraw/zinc/24/46/45/471244645.db2.gz PBVLYFIIGCOVHC-UHFFFAOYSA-N 2 0 334.439 2.124 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728125 782140732 /nfs/dbraw/zinc/14/07/32/782140732.db2.gz FDRMYYYAWJAUCK-VQTJNVASSA-N 2 0 341.499 2.397 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C[NH+](C)C ZINC000291753919 534063615 /nfs/dbraw/zinc/06/36/15/534063615.db2.gz QNMDBPFPWRNUNZ-HNNXBMFYSA-N 2 0 326.448 2.146 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000369592923 526723807 /nfs/dbraw/zinc/72/38/07/526723807.db2.gz ROMADZJUUJNMNV-FQEVSTJZSA-N 2 0 339.483 2.255 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000113335733 526744251 /nfs/dbraw/zinc/74/42/51/526744251.db2.gz VLTWLSYMVCLBAT-GOSISDBHSA-N 2 0 329.488 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC=C)CC1 ZINC000969156569 674648442 /nfs/dbraw/zinc/64/84/42/674648442.db2.gz WURFZENIEQQTTH-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970499696 675940518 /nfs/dbraw/zinc/94/05/18/675940518.db2.gz XJMQPHJJROYVKU-QGZVFWFLSA-N 2 0 349.438 2.024 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140242 675645127 /nfs/dbraw/zinc/64/51/27/675645127.db2.gz RDRLYVAGTNVMLC-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261597996 676333588 /nfs/dbraw/zinc/33/35/88/676333588.db2.gz AGRATZDOGYDNJA-BBWFWOEESA-N 2 0 338.540 2.287 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001023273607 679223202 /nfs/dbraw/zinc/22/32/02/679223202.db2.gz OEZKKYBPPHUYKQ-YOEHRIQHSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696399 679486694 /nfs/dbraw/zinc/48/66/94/679486694.db2.gz MFUQEFKOWFGRAN-MOPGFXCFSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479954 679962530 /nfs/dbraw/zinc/96/25/30/679962530.db2.gz VEMFNFZIBULIIH-OALUTQOASA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832373 681350694 /nfs/dbraw/zinc/35/06/94/681350694.db2.gz XOJKHAICKIDZTI-QGZVKYPTSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028602137 681350850 /nfs/dbraw/zinc/35/08/50/681350850.db2.gz XXFDXRZRZYHCMP-PMACEKPBSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834341 681357143 /nfs/dbraw/zinc/35/71/43/681357143.db2.gz WYIZLUWXMMHAQC-SESVDKBCSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC[C@H](C)F)CC1 ZINC001024811865 681463500 /nfs/dbraw/zinc/46/35/00/681463500.db2.gz CFYWSLCHWSSLFO-WMZOPIPTSA-N 2 0 337.483 2.050 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982726234 682111962 /nfs/dbraw/zinc/11/19/62/682111962.db2.gz SVWMZHPRXUFFRJ-IZZBFERCSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@]2(C)C1 ZINC000982775034 682173639 /nfs/dbraw/zinc/17/36/39/682173639.db2.gz SIIDGXHBOZUFGX-ZCNNSNEGSA-N 2 0 331.504 2.219 20 30 EEEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262000355 682773544 /nfs/dbraw/zinc/77/35/44/682773544.db2.gz PGYCBGLTTWFSBU-CQSZACIVSA-N 2 0 332.448 2.306 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262356302 685593584 /nfs/dbraw/zinc/59/35/84/685593584.db2.gz FZOBLAMFNSZOCO-BBWFWOEESA-N 2 0 334.508 2.005 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001026605129 684782195 /nfs/dbraw/zinc/78/21/95/684782195.db2.gz DSUJZQYTTFMJJI-LMDPOFIKSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)CC1 ZINC000987578930 689853334 /nfs/dbraw/zinc/85/33/34/689853334.db2.gz YYNLJJDZASPSIV-PXNSSMCTSA-N 2 0 343.515 2.411 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027578536 693202557 /nfs/dbraw/zinc/20/25/57/693202557.db2.gz NCDTVWBNPCNVCE-PBHICJAKSA-N 2 0 348.516 2.383 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978318076 693494205 /nfs/dbraw/zinc/49/42/05/693494205.db2.gz GFBRENCNHSBJSD-NNZMDNLPSA-N 2 0 331.504 2.123 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105577098 1188191191 /nfs/dbraw/zinc/19/11/91/1188191191.db2.gz QCJLLOUDILITRM-SFHVURJKSA-N 2 0 331.504 2.247 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577058 1188191219 /nfs/dbraw/zinc/19/12/19/1188191219.db2.gz PVMFZYRIWLQCED-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Br)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484111189 1191217189 /nfs/dbraw/zinc/21/71/89/1191217189.db2.gz XHPPPELXQIXBGY-HNNXBMFYSA-N 2 0 346.313 2.065 20 30 EEEDRP C#CCN1CC[C@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128432 1194411637 /nfs/dbraw/zinc/41/16/37/1194411637.db2.gz TVVCSLUNJJZBCE-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405079 1196197679 /nfs/dbraw/zinc/19/76/79/1196197679.db2.gz NWZNMRLYQPGYRR-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001034610958 1196433195 /nfs/dbraw/zinc/43/31/95/1196433195.db2.gz HBSAAYMIAQLRGU-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143773 1197008572 /nfs/dbraw/zinc/00/85/72/1197008572.db2.gz KYSWIRYBRUMEMR-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001410393544 1197794943 /nfs/dbraw/zinc/79/49/43/1197794943.db2.gz VGVFVRJVZLBFAK-ZDUSSCGKSA-N 2 0 334.489 2.041 20 30 EEEDRP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001132266752 1199506126 /nfs/dbraw/zinc/50/61/26/1199506126.db2.gz ZQKXQEPGDMHCQP-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[C@@H]1C ZINC001132310908 1199562079 /nfs/dbraw/zinc/56/20/79/1199562079.db2.gz PYSCJVPASZINMF-AZUAARDMSA-N 2 0 341.499 2.153 20 30 EEEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC001274920850 1205210320 /nfs/dbraw/zinc/21/03/20/1205210320.db2.gz QUTGKLCQNZEPRA-IHWFROFDSA-N 2 0 326.488 2.247 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001275367047 1205323871 /nfs/dbraw/zinc/32/38/71/1205323871.db2.gz HDMWQBWTKRUFGB-QAPCUYQASA-N 2 0 337.471 2.107 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000933356537 1207760732 /nfs/dbraw/zinc/76/07/32/1207760732.db2.gz YHTPSGZSJOLKDQ-UHFFFAOYSA-N 2 0 343.471 2.483 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536006 1208610572 /nfs/dbraw/zinc/61/05/72/1208610572.db2.gz BZPXCAQWULTTSB-CVEARBPZSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948078891 1208860292 /nfs/dbraw/zinc/86/02/92/1208860292.db2.gz PTNDTVRSFTTZRT-HZPDHXFCSA-N 2 0 331.460 2.337 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC000949112397 1209540464 /nfs/dbraw/zinc/54/04/64/1209540464.db2.gz RMXNRJMQLGDXIW-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC000949124094 1209544672 /nfs/dbraw/zinc/54/46/72/1209544672.db2.gz PKTAMRHSJYZTLY-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C[C@@H](F)CC)CC2)CC1 ZINC001006445678 1209779186 /nfs/dbraw/zinc/77/91/86/1209779186.db2.gz MSXLRJWRYOPQEF-KRWDZBQOSA-N 2 0 337.483 2.003 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813249 1210417715 /nfs/dbraw/zinc/41/77/15/1210417715.db2.gz LBBREAGEPMMZQK-HOJAQTOUSA-N 2 0 339.483 2.149 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518204 1212361635 /nfs/dbraw/zinc/36/16/35/1212361635.db2.gz DNXQJHUNLBCNCK-PIIMJCKOSA-N 2 0 331.504 2.408 20 30 EEEDRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303781016 1213905605 /nfs/dbraw/zinc/90/56/05/1213905605.db2.gz LXNGFWGYXXMTLU-UHFFFAOYSA-N 2 0 349.910 2.263 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303899073 1213922955 /nfs/dbraw/zinc/92/29/55/1213922955.db2.gz VXNNPJZLSOOMEQ-YESZJQIVSA-N 3 0 337.556 2.132 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603064 1215248443 /nfs/dbraw/zinc/24/84/43/1215248443.db2.gz MRUAKDWLZPBGFF-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603430 1215248699 /nfs/dbraw/zinc/24/86/99/1215248699.db2.gz SBGVSDGMVZSFAH-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C(C)(C)C)cs1 ZINC000304742350 1216102122 /nfs/dbraw/zinc/10/21/22/1216102122.db2.gz CPWCDGNWBHJYPX-ZDUSSCGKSA-N 2 0 337.537 2.372 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Cl)c1 ZINC000304806856 1216106882 /nfs/dbraw/zinc/10/68/82/1216106882.db2.gz SOUUCKCCNRANDH-ZFWWWQNUSA-N 2 0 338.883 2.496 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1cccc(F)c1 ZINC000304850389 1216109171 /nfs/dbraw/zinc/10/91/71/1216109171.db2.gz QTCNSVZULITZRF-CVEARBPZSA-N 2 0 336.455 2.372 20 30 EEEDRP C[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000305037922 1216132434 /nfs/dbraw/zinc/13/24/34/1216132434.db2.gz BULPBLSRPOHHGV-UHFFFAOYSA-N 2 0 343.519 2.125 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000960262690 1216458343 /nfs/dbraw/zinc/45/83/43/1216458343.db2.gz PFWNEDFEBYZGBC-CEXWTWQISA-N 2 0 327.472 2.417 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206468 1217089051 /nfs/dbraw/zinc/08/90/51/1217089051.db2.gz DVLIUIKAYKMXEC-IAGOWNOFSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961407361 1217178547 /nfs/dbraw/zinc/17/85/47/1217178547.db2.gz XFQFYWYVDRDING-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961414284 1217180592 /nfs/dbraw/zinc/18/05/92/1217180592.db2.gz AXVDZNGMRAFLCW-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326915 1217522211 /nfs/dbraw/zinc/52/22/11/1217522211.db2.gz ZSAUSUGOGLDWOP-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404027 1217600977 /nfs/dbraw/zinc/60/09/77/1217600977.db2.gz KUFJWGHHHYQYCR-HKUYNNGSSA-N 2 0 342.487 2.079 20 30 EEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000963419136 1217615432 /nfs/dbraw/zinc/61/54/32/1217615432.db2.gz CODLDDPGFSQUDH-FAFZWHIHSA-N 2 0 349.519 2.175 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326764 1221211178 /nfs/dbraw/zinc/21/11/78/1221211178.db2.gz IOSUZJSHZIZACM-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)CC[C@@H]2C)CC1 ZINC000968682359 1221487635 /nfs/dbraw/zinc/48/76/35/1221487635.db2.gz QBFOYEIAKNNFRQ-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100949 1221808506 /nfs/dbraw/zinc/80/85/06/1221808506.db2.gz MOPFPFGIHQKBAJ-LJQANCHMSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016633714 1226708420 /nfs/dbraw/zinc/70/84/20/1226708420.db2.gz XHTQBWTYFZMDLP-RBSFLKMASA-N 2 0 325.884 2.050 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001019813757 1229359798 /nfs/dbraw/zinc/35/97/98/1229359798.db2.gz LVLCFZINVKKFTH-IBGZPJMESA-N 2 0 329.488 2.023 20 30 EEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163767 1230385286 /nfs/dbraw/zinc/38/52/86/1230385286.db2.gz AOGWUZDSWZQAEZ-IBGZPJMESA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001039249580 1230485842 /nfs/dbraw/zinc/48/58/42/1230485842.db2.gz CDFZPKSFDVLTPB-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039280978 1230506948 /nfs/dbraw/zinc/50/69/48/1230506948.db2.gz UDKGAUBSIGLSMK-QBUWPKIASA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001054788964 1249065907 /nfs/dbraw/zinc/06/59/07/1249065907.db2.gz ALCZDPDWKDORJN-UKRRQHHQSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040242691 1231127168 /nfs/dbraw/zinc/12/71/68/1231127168.db2.gz ZSIFGGNUFUGJPN-FPOVZHCZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001044670752 1233166640 /nfs/dbraw/zinc/16/66/40/1233166640.db2.gz GIZNPMNHMHPXSY-CABCVRRESA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3CC3)C[C@H]2C)CC1 ZINC001044871222 1233331020 /nfs/dbraw/zinc/33/10/20/1233331020.db2.gz IPTJPAZIYKFNHF-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937531 1234191214 /nfs/dbraw/zinc/19/12/14/1234191214.db2.gz FVTFUDXFXLQBPF-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938522 1234193363 /nfs/dbraw/zinc/19/33/63/1234193363.db2.gz DNPHCPKSVIIMHB-QKNQBKEWSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970312 1234254159 /nfs/dbraw/zinc/25/41/59/1234254159.db2.gz DNUUAVMCPFXAFJ-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986071 1234282117 /nfs/dbraw/zinc/28/21/17/1234282117.db2.gz GRHNTRXORILWDG-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047245500 1235738783 /nfs/dbraw/zinc/73/87/83/1235738783.db2.gz ZHAUFBBCRVSVES-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047256562 1235759508 /nfs/dbraw/zinc/75/95/08/1235759508.db2.gz BCRNHTWREUWIAE-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048563031 1237971356 /nfs/dbraw/zinc/97/13/56/1237971356.db2.gz TXBOXQGUVDGXKB-BTYMGIQYSA-N 2 0 339.911 2.296 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC001000303248 1240150340 /nfs/dbraw/zinc/15/03/40/1240150340.db2.gz IBCZITACKHXQAX-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000319642 1240166785 /nfs/dbraw/zinc/16/67/85/1240166785.db2.gz YOWFGEVKQRFOGC-MJGOQNOKSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CC(=C)C)CC3)CC2)CC1 ZINC001000334693 1240180297 /nfs/dbraw/zinc/18/02/97/1240180297.db2.gz JWKDEEYLGSJPGU-UHFFFAOYSA-N 2 0 343.515 2.269 20 30 EEEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001111433038 1241359042 /nfs/dbraw/zinc/35/90/42/1241359042.db2.gz MUOOOCZNPCYPLM-YRXWBPOGSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719554 1241983564 /nfs/dbraw/zinc/98/35/64/1241983564.db2.gz MUPPQKOVGGDSNF-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141912 1242968383 /nfs/dbraw/zinc/96/83/83/1242968383.db2.gz YIEAKRRXMHRCCP-FRQCXROJSA-N 2 0 337.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC(=C)Cl)CC3)CC1 ZINC001050764523 1244315822 /nfs/dbraw/zinc/31/58/22/1244315822.db2.gz DHABYXOJZBNISV-UHFFFAOYSA-N 2 0 349.906 2.009 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701489 1244783452 /nfs/dbraw/zinc/78/34/52/1244783452.db2.gz FPNQQMZAKUSXAH-QFBILLFUSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087556 1245866856 /nfs/dbraw/zinc/86/68/56/1245866856.db2.gz MFKGIFZTYPUTKK-SJLPKXTDSA-N 2 0 328.460 2.069 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001101543340 1245945723 /nfs/dbraw/zinc/94/57/23/1245945723.db2.gz CYYTUPLQQXEACR-ZWKOTPCHSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001101547501 1245950892 /nfs/dbraw/zinc/95/08/92/1245950892.db2.gz DBGTVUUSCJPRTQ-GOSISDBHSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099259472 1258045140 /nfs/dbraw/zinc/04/51/40/1258045140.db2.gz IFLLUVUTELBSLZ-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709873 1278760785 /nfs/dbraw/zinc/76/07/85/1278760785.db2.gz NIWNHMXPYMKBPH-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185752878 1278786662 /nfs/dbraw/zinc/78/66/62/1278786662.db2.gz VUMWQNVKZAASHZ-IAGOWNOFSA-N 2 0 327.472 2.069 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001134762602 1278011984 /nfs/dbraw/zinc/01/19/84/1278011984.db2.gz DBLWUFBGXZSMNP-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001187276708 1279472869 /nfs/dbraw/zinc/47/28/69/1279472869.db2.gz RONJIZZODLDTQB-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189772163 1280493265 /nfs/dbraw/zinc/49/32/65/1280493265.db2.gz XJFSQFULUXBAHX-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193290846 1282426618 /nfs/dbraw/zinc/42/66/18/1282426618.db2.gz FPCIMUJCSFHQMC-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001194119183 1282893335 /nfs/dbraw/zinc/89/33/35/1282893335.db2.gz QCWNWRKDDUNWEA-QZTJIDSGSA-N 2 0 344.459 2.308 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198941188 1285431149 /nfs/dbraw/zinc/43/11/49/1285431149.db2.gz VATYLXKFWOEYQM-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1OC ZINC001198946029 1285465033 /nfs/dbraw/zinc/46/50/33/1285465033.db2.gz SUJBSYIYWIOCBU-SFHVURJKSA-N 2 0 345.487 2.360 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203924954 1285488641 /nfs/dbraw/zinc/48/86/41/1285488641.db2.gz HYFRTFBFSZPFIX-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CCCO1 ZINC001201668979 1289707850 /nfs/dbraw/zinc/70/78/50/1289707850.db2.gz NVUXJCMEJBXMQP-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060174 1289894355 /nfs/dbraw/zinc/89/43/55/1289894355.db2.gz TYMOERPUAWEXOR-MSOLQXFVSA-N 2 0 339.524 2.116 20 30 EEEDRP Cc1ccccc1C[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852857994 1292217980 /nfs/dbraw/zinc/21/79/80/1292217980.db2.gz MDVZUAHBRSCILW-UHFFFAOYSA-N 2 0 339.483 2.079 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)CC1 ZINC000854676950 1292917246 /nfs/dbraw/zinc/91/72/46/1292917246.db2.gz VGIKBKMETQXQKA-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001215548190 1296938658 /nfs/dbraw/zinc/93/86/58/1296938658.db2.gz LVJMYFOQDRNIQE-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073748294 1297480785 /nfs/dbraw/zinc/48/07/85/1297480785.db2.gz CUYIWIMOQRIAND-QGZVFWFLSA-N 2 0 349.475 2.128 20 30 EEEDRP c1ccc([S+](CCO[C@@H]2CN3C[C@H]2[NH2+]CC3)c2ccccc2)cc1 ZINC001217803629 1297513915 /nfs/dbraw/zinc/51/39/15/1297513915.db2.gz FZVPOMUJKIMCQY-WOJBJXKFSA-N 2 0 341.500 2.396 20 30 EEEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)c1 ZINC001218972326 1297887173 /nfs/dbraw/zinc/88/71/73/1297887173.db2.gz LLRZFEHBOSHLNM-SFHVURJKSA-N 2 0 334.423 2.405 20 30 EEEDRP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949572 1298192534 /nfs/dbraw/zinc/19/25/34/1298192534.db2.gz KKHMHSUBZLKPPY-MSOLQXFVSA-N 2 0 344.459 2.080 20 30 EEEDRP N#CC1(NC(=O)[C@@H]([NH3+])CC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643467 1298485162 /nfs/dbraw/zinc/48/51/62/1298485162.db2.gz GGQLRFRNLCWBDR-SFHVURJKSA-N 2 0 340.471 2.178 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740847 1298520764 /nfs/dbraw/zinc/52/07/64/1298520764.db2.gz UXJLEZGDENBDQK-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083992 1302187368 /nfs/dbraw/zinc/18/73/68/1302187368.db2.gz SCXYQOSTSPTUMF-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750898 1303294831 /nfs/dbraw/zinc/29/48/31/1303294831.db2.gz UMPRIPVRINMTSN-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116327 1304254809 /nfs/dbraw/zinc/25/48/09/1304254809.db2.gz XZXFWZUJEVHRPR-ZIAGYGMSSA-N 2 0 333.398 2.026 20 30 EEEDRP C=CCCCC[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001277789088 1304504771 /nfs/dbraw/zinc/50/47/71/1304504771.db2.gz QNDMRLGKZJODTO-KRWDZBQOSA-N 2 0 345.491 2.061 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120400646 1309510084 /nfs/dbraw/zinc/51/00/84/1309510084.db2.gz DOBZDYSLCWFOSU-ROUUACIJSA-N 2 0 333.520 2.443 20 30 EEEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246080423 1310232104 /nfs/dbraw/zinc/23/21/04/1310232104.db2.gz GQOGFHGYVBDQFF-VLOYRQLPSA-N 2 0 331.435 2.043 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2ccc(F)cc2)CCN1 ZINC001246444336 1310313152 /nfs/dbraw/zinc/31/31/52/1310313152.db2.gz KKQMIWZJKCPFCF-CEXWTWQISA-N 2 0 330.451 2.490 20 30 EEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246519583 1310330844 /nfs/dbraw/zinc/33/08/44/1310330844.db2.gz NMKXTMMUBGSUDG-LPHOPBHVSA-N 2 0 342.487 2.199 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@H](C[NH3+])C3)CC2)cc1 ZINC001246584894 1310350446 /nfs/dbraw/zinc/35/04/46/1310350446.db2.gz WEKPRTWDJHQSDU-QGZVFWFLSA-N 2 0 340.471 2.224 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973281 1314772017 /nfs/dbraw/zinc/77/20/17/1314772017.db2.gz DSRWXVHPZKUASO-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203005642 1314817215 /nfs/dbraw/zinc/81/72/15/1314817215.db2.gz SKLGVSKQIVKPBA-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828957 1316894610 /nfs/dbraw/zinc/89/46/10/1316894610.db2.gz VIFBZLACZASCDN-CQSZACIVSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023279 1317423382 /nfs/dbraw/zinc/42/33/82/1317423382.db2.gz CXOPMHABLPDPOT-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390762 1317992712 /nfs/dbraw/zinc/99/27/12/1317992712.db2.gz VNMZMGVSNFSMTN-QGZVFWFLSA-N 2 0 327.513 2.138 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086423 1318391263 /nfs/dbraw/zinc/39/12/63/1318391263.db2.gz SYFPBHMVCNSZFC-QGZVFWFLSA-N 2 0 347.503 2.391 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040483 1318981469 /nfs/dbraw/zinc/98/14/69/1318981469.db2.gz XCJLMVULZCXGPJ-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604916 1319328390 /nfs/dbraw/zinc/32/83/90/1319328390.db2.gz FUGYLPXACQVAMS-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)s1 ZINC001161863767 1320652899 /nfs/dbraw/zinc/65/28/99/1320652899.db2.gz QUOOWJMMUMFTAM-UHFFFAOYSA-N 2 0 339.424 2.177 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)(COC)CC1 ZINC001162327042 1320822994 /nfs/dbraw/zinc/82/29/94/1320822994.db2.gz OAKWIHZVLIYWHU-UHFFFAOYSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001162963562 1320998512 /nfs/dbraw/zinc/99/85/12/1320998512.db2.gz KRMGQXNHUXKUMM-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863675 1321804883 /nfs/dbraw/zinc/80/48/83/1321804883.db2.gz OAOWGLYJHYAGKX-UHFFFAOYSA-N 2 0 349.475 2.034 20 30 EEEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)CC1 ZINC001276472426 1322175045 /nfs/dbraw/zinc/17/50/45/1322175045.db2.gz MHYIBJQGNHXRBJ-GUDVDZBRSA-N 2 0 343.515 2.431 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001206287428 1323447838 /nfs/dbraw/zinc/44/78/38/1323447838.db2.gz CRZHUYFBCGBRQH-UHFFFAOYSA-N 2 0 329.488 2.419 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206954775 1323741794 /nfs/dbraw/zinc/74/17/94/1323741794.db2.gz WKXDLDPQMYGFPJ-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208330821 1324429705 /nfs/dbraw/zinc/42/97/05/1324429705.db2.gz GLHIZSFDYXYZDN-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631608 1324993974 /nfs/dbraw/zinc/99/39/74/1324993974.db2.gz FSPBPEGMDHTBFA-AZUAARDMSA-N 2 0 339.483 2.103 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210788596 1325432876 /nfs/dbraw/zinc/43/28/76/1325432876.db2.gz GBOGRVQNJGUOQU-IBGZPJMESA-N 2 0 345.462 2.100 20 30 EEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038389 1337948072 /nfs/dbraw/zinc/94/80/72/1337948072.db2.gz IWGVXDRPIVIRMY-ROUUACIJSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001574925293 1343712765 /nfs/dbraw/zinc/71/27/65/1343712765.db2.gz MKKXGOQULPYGOJ-ULQDDVLXSA-N 2 0 346.523 2.445 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201267430 1368800225 /nfs/dbraw/zinc/80/02/25/1368800225.db2.gz OBBQLLQZRDOINH-HXUWFJFHSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001112354539 1371409829 /nfs/dbraw/zinc/40/98/29/1371409829.db2.gz NHKISORZKILRRN-PXNSSMCTSA-N 2 0 331.504 2.102 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(F)cc(C#N)c3)CC2)CC1 ZINC001139878452 1372532944 /nfs/dbraw/zinc/53/29/44/1372532944.db2.gz MAWDTICUEKRYMD-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001380180432 1381096197 /nfs/dbraw/zinc/09/61/97/1381096197.db2.gz YNKCFHGYOSTPPC-ACBHZAAOSA-N 2 0 342.487 2.223 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001392131519 1389832241 /nfs/dbraw/zinc/83/22/41/1389832241.db2.gz LZZOQFJXNZMSTG-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001392475450 1390054589 /nfs/dbraw/zinc/05/45/89/1390054589.db2.gz FWYJXCWKEMCQJV-CQSZACIVSA-N 2 0 348.516 2.479 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752804035 1406423057 /nfs/dbraw/zinc/42/30/57/1406423057.db2.gz COJQGGHQIYHJTQ-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789261 1390543552 /nfs/dbraw/zinc/54/35/52/1390543552.db2.gz RDHWLUUFYBBDKO-GJZGRUSLSA-N 2 0 348.516 2.431 20 30 EEEDRP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001394208140 1390649375 /nfs/dbraw/zinc/64/93/75/1390649375.db2.gz TXDDZCDVGFUKGN-RHSMWYFYSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001401113091 1396947291 /nfs/dbraw/zinc/94/72/91/1396947291.db2.gz CQNMRFKEBUBWDD-CJNGLKHVSA-N 2 0 327.900 2.488 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC001754451061 1406906957 /nfs/dbraw/zinc/90/69/57/1406906957.db2.gz ZYPYECKVGHZUFD-GOSISDBHSA-N 2 0 347.890 2.128 20 30 EEEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001402396998 1397975538 /nfs/dbraw/zinc/97/55/38/1397975538.db2.gz QGOBCLQJEDQFJP-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001576729766 1403601195 /nfs/dbraw/zinc/60/11/95/1403601195.db2.gz YDUKVBBLPCOKMX-OCCSQVGLSA-N 2 0 334.851 2.457 20 30 EEEDRP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700669055 1405656093 /nfs/dbraw/zinc/65/60/93/1405656093.db2.gz IHBXESYASWVBHW-IEBWSBKVSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001755768666 1407828469 /nfs/dbraw/zinc/82/84/69/1407828469.db2.gz SRUAMHNRYWKYGN-ZFWWWQNUSA-N 2 0 347.425 2.273 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051599 1410025401 /nfs/dbraw/zinc/02/54/01/1410025401.db2.gz QZAZQMHHICPAQW-QZTJIDSGSA-N 2 0 345.487 2.202 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544484 1410728111 /nfs/dbraw/zinc/72/81/11/1410728111.db2.gz UOEBSQVOXAOJJP-GUDVDZBRSA-N 2 0 335.536 2.450 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112397167 1410896830 /nfs/dbraw/zinc/89/68/30/1410896830.db2.gz VMEANEJRMUPOIH-ZJOUEHCJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)[C@@H]2CC)CC1 ZINC001087839147 782348756 /nfs/dbraw/zinc/34/87/56/782348756.db2.gz NKAXXRJEOPFWDG-OQRFJMDLSA-N 2 0 337.895 2.053 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001112496112 758251147 /nfs/dbraw/zinc/25/11/47/758251147.db2.gz IEBHXNOPGGVVRO-ICSRJNTNSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104354111 759678995 /nfs/dbraw/zinc/67/89/95/759678995.db2.gz RXTGCNRXBHLATM-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001104408937 760364635 /nfs/dbraw/zinc/36/46/35/760364635.db2.gz HGJUUSLHACZVSP-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001167655041 760878165 /nfs/dbraw/zinc/87/81/65/760878165.db2.gz COIKTXXHLLIKPQ-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001167655519 760882408 /nfs/dbraw/zinc/88/24/08/760882408.db2.gz SJRICQFHZVHSRS-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001104452357 760908178 /nfs/dbraw/zinc/90/81/78/760908178.db2.gz JAIQRAHJNTWYBM-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC=C)[C@@H]3C2(C)C)CC1 ZINC001087317319 761613541 /nfs/dbraw/zinc/61/35/41/761613541.db2.gz GRCCSJHQQZMVOB-OTWHNJEPSA-N 2 0 343.515 2.123 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001105058835 768970012 /nfs/dbraw/zinc/97/00/12/768970012.db2.gz ADRYJHBNRYXHPN-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020430 782777425 /nfs/dbraw/zinc/77/74/25/782777425.db2.gz KXNLZWLUNCZLGQ-SJORKVTESA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529930 770345859 /nfs/dbraw/zinc/34/58/59/770345859.db2.gz VWHLKCMIBRWXNP-ZVZYQTTQSA-N 2 0 339.911 2.299 20 30 EEEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001105412990 783026261 /nfs/dbraw/zinc/02/62/61/783026261.db2.gz HNNGCXIXSXBMLW-IRFCIJBXSA-N 2 0 341.499 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)[C@@H](C)C2)CC1 ZINC000948070198 773418693 /nfs/dbraw/zinc/41/86/93/773418693.db2.gz NQKIOKGJTHSBNE-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000809614309 783225381 /nfs/dbraw/zinc/22/53/81/783225381.db2.gz NYHGPBNZYXTNEN-UHFFFAOYSA-N 2 0 349.482 2.150 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000981456973 777444531 /nfs/dbraw/zinc/44/45/31/777444531.db2.gz HGWVVABEEOKLQE-LJQANCHMSA-N 2 0 340.471 2.077 20 30 EEEDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236880141 779712886 /nfs/dbraw/zinc/71/28/86/779712886.db2.gz ZVUNBFFYOBUNJD-QGZVFWFLSA-N 2 0 330.476 2.095 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211721018 779724686 /nfs/dbraw/zinc/72/46/86/779724686.db2.gz WVWHDMWHGAZJRL-SLFFLAALSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CCO2 ZINC000949205263 779917150 /nfs/dbraw/zinc/91/71/50/779917150.db2.gz RMYIVBSHCYFZJB-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CCC[NH+](C)C ZINC001135315509 783598629 /nfs/dbraw/zinc/59/86/29/783598629.db2.gz PBAHXXHGFZTMCY-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001135391363 783687621 /nfs/dbraw/zinc/68/76/21/783687621.db2.gz RWVHGMJPRCPIDL-JKSUJKDBSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001135390173 783710961 /nfs/dbraw/zinc/71/09/61/783710961.db2.gz HWEVUHQSJURICO-CVEARBPZSA-N 2 0 342.487 2.273 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197454 784032166 /nfs/dbraw/zinc/03/21/66/784032166.db2.gz ODMJWRLOBMONQR-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035239549 784161382 /nfs/dbraw/zinc/16/13/82/784161382.db2.gz ICYZNQUIWXBLLL-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135744320 784353805 /nfs/dbraw/zinc/35/38/05/784353805.db2.gz ZOQGEFCPFCMDGS-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975865 784924382 /nfs/dbraw/zinc/92/43/82/784924382.db2.gz DQQUNAQKWXTRHU-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc(OC)c1OC ZINC000817909441 785061972 /nfs/dbraw/zinc/06/19/72/785061972.db2.gz QZKKKJWCEAHBKH-KBRIMQKVSA-N 2 0 334.460 2.274 20 30 EEEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995824004 785724917 /nfs/dbraw/zinc/72/49/17/785724917.db2.gz PJKFKMSUDURCHO-WMZOPIPTSA-N 2 0 331.504 2.101 20 30 EEEDRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000996676813 787109548 /nfs/dbraw/zinc/10/95/48/787109548.db2.gz IVDHISKHSRVJDT-KRWDZBQOSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107408858 787158114 /nfs/dbraw/zinc/15/81/14/787158114.db2.gz HWFOEKPTFWDONA-YLJYHZDGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821359 787426756 /nfs/dbraw/zinc/42/67/56/787426756.db2.gz OLWZNIXIGDGKJY-HKUYNNGSSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825377 787871501 /nfs/dbraw/zinc/87/15/01/787871501.db2.gz CELYNEGXXLVGIF-UYAOXDASSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997191291 789412524 /nfs/dbraw/zinc/41/25/24/789412524.db2.gz RAXPHCTZAMYJSP-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997280937 789553664 /nfs/dbraw/zinc/55/36/64/789553664.db2.gz SOMJTTWDPVMFDC-OAHLLOKOSA-N 2 0 331.460 2.195 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146339156 791174064 /nfs/dbraw/zinc/17/40/64/791174064.db2.gz JYJYQCWMDWJRMF-HZPDHXFCSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591040 791359962 /nfs/dbraw/zinc/35/99/62/791359962.db2.gz FQKAOYJTYFFHLF-CABCVRRESA-N 2 0 348.466 2.410 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593172 791363472 /nfs/dbraw/zinc/36/34/72/791363472.db2.gz OHKUUJCKXLMDDT-LSDHHAIUSA-N 2 0 348.466 2.410 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147347767 791792998 /nfs/dbraw/zinc/79/29/98/791792998.db2.gz DENDCRZSIXAFHF-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998278211 792439125 /nfs/dbraw/zinc/43/91/25/792439125.db2.gz RQOQNCOUOVWMMF-KGLIPLIRSA-N 2 0 347.425 2.416 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611754 792558867 /nfs/dbraw/zinc/55/88/67/792558867.db2.gz MDQBETLEADEQPN-LJQANCHMSA-N 2 0 339.483 2.237 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939107 793025848 /nfs/dbraw/zinc/02/58/48/793025848.db2.gz ILMONWTWTDGWIJ-BZSNNMDCSA-N 2 0 331.504 2.053 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000999366654 794370426 /nfs/dbraw/zinc/37/04/26/794370426.db2.gz YVTBURDJOTWDFF-CQSZACIVSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907569 794427219 /nfs/dbraw/zinc/42/72/19/794427219.db2.gz PGNPOZHKTZOYJL-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC000992510055 794454198 /nfs/dbraw/zinc/45/41/98/794454198.db2.gz OJENNPQOPALIDL-QUCCMNQESA-N 2 0 329.488 2.021 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC000999436998 794461857 /nfs/dbraw/zinc/46/18/57/794461857.db2.gz WCEBGVXDCDTEBF-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276226 796635657 /nfs/dbraw/zinc/63/56/57/796635657.db2.gz PIZTYCTWKNYKLM-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001172498949 797009191 /nfs/dbraw/zinc/00/91/91/797009191.db2.gz PNHDNJIVCGLSIR-VAMGGRTRSA-N 2 0 348.535 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820731 797027324 /nfs/dbraw/zinc/02/73/24/797027324.db2.gz ZHJQTTQWGROALI-OALUTQOASA-N 2 0 343.515 2.149 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001002036760 797499079 /nfs/dbraw/zinc/49/90/79/797499079.db2.gz KSSBJGWGVYPISJ-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082699658 797650882 /nfs/dbraw/zinc/65/08/82/797650882.db2.gz NRHPTXKGDKZOAE-VNQPRFMTSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084664538 798352774 /nfs/dbraw/zinc/35/27/74/798352774.db2.gz BOJSXVOQAJUBKA-RTBURBONSA-N 2 0 327.472 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958109 798577929 /nfs/dbraw/zinc/57/79/29/798577929.db2.gz LTZOKCZZCMVWMY-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001177316787 798855451 /nfs/dbraw/zinc/85/54/51/798855451.db2.gz GZCDYPOSVOVRES-WOJBJXKFSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001150794483 799445820 /nfs/dbraw/zinc/44/58/20/799445820.db2.gz KQLSDLAICSWIPA-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612303 799548847 /nfs/dbraw/zinc/54/88/47/799548847.db2.gz SIJRFUUILIZQMB-QGZVFWFLSA-N 2 0 345.503 2.135 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001179371272 799903698 /nfs/dbraw/zinc/90/36/98/799903698.db2.gz OBLORMNGIQVABL-GOSISDBHSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060420 800248411 /nfs/dbraw/zinc/24/84/11/800248411.db2.gz BBNCUCZOUBTRNA-KRWDZBQOSA-N 2 0 327.513 2.186 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007719 801008565 /nfs/dbraw/zinc/00/85/65/801008565.db2.gz XQSSCYNAIMRMOY-RHSMWYFYSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001182346418 801129508 /nfs/dbraw/zinc/12/95/08/801129508.db2.gz OSRBXSKMTVOBSS-SLYNCCJLSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004455731 802114717 /nfs/dbraw/zinc/11/47/17/802114717.db2.gz ABTJMHCTLHEWEO-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004460545 802129370 /nfs/dbraw/zinc/12/93/70/802129370.db2.gz ZUELVBLWEMCCMB-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478927 802182538 /nfs/dbraw/zinc/18/25/38/802182538.db2.gz ZAVDJSUIYWRWBA-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185054272 802304591 /nfs/dbraw/zinc/30/45/91/802304591.db2.gz YBKHNVRFVUVJIA-UKRRQHHQSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108324467 803315092 /nfs/dbraw/zinc/31/50/92/803315092.db2.gz XAGJHMCJTSKCRJ-LJQANCHMSA-N 2 0 339.524 2.282 20 30 EEEDRP O=C(NCC[NH2+]CC#Cc1cccc(Cl)c1)C12CCC[NH+]1CCC2 ZINC001130805982 812046408 /nfs/dbraw/zinc/04/64/08/812046408.db2.gz XAXFOJCPKMVWRC-UHFFFAOYSA-N 2 0 345.874 2.026 20 30 EEEDRP N#Cc1nc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)c(Cl)cc1Cl ZINC001158269274 812509658 /nfs/dbraw/zinc/50/96/58/812509658.db2.gz PLPFHEHUOFZNRO-SNVBAGLBSA-N 2 0 340.258 2.262 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001437050495 1088938855 /nfs/dbraw/zinc/93/88/55/1088938855.db2.gz OWHGSNYZCHKESU-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438545319 1091037353 /nfs/dbraw/zinc/03/73/53/1091037353.db2.gz BHLTZOLGZNXDLA-QGZVFWFLSA-N 2 0 342.487 2.276 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001448975511 1093979311 /nfs/dbraw/zinc/97/93/11/1093979311.db2.gz IFLNENKKYIAPAQ-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001442977008 1097400516 /nfs/dbraw/zinc/40/05/16/1097400516.db2.gz ZIIAACPYBUYHGS-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001446594666 1101087500 /nfs/dbraw/zinc/08/75/00/1101087500.db2.gz BNOHSHSYRSWWBZ-FQEVSTJZSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001495602509 1101313276 /nfs/dbraw/zinc/31/32/76/1101313276.db2.gz MTKPRSKROFGJDG-UHFFFAOYSA-N 2 0 327.900 2.395 20 30 EEEDRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001447977581 1103720213 /nfs/dbraw/zinc/72/02/13/1103720213.db2.gz NEAYZLMIWDPAJD-SFHVURJKSA-N 2 0 344.503 2.473 20 30 EEEDRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495051262 1104689653 /nfs/dbraw/zinc/68/96/53/1104689653.db2.gz URAVQPHCWFEHIN-KRWDZBQOSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001502014965 1113559073 /nfs/dbraw/zinc/55/90/73/1113559073.db2.gz SMJQTBYDMIVLQI-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001502142867 1113614313 /nfs/dbraw/zinc/61/43/13/1113614313.db2.gz KSPQHUXYPKYKMP-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000491450700 246036782 /nfs/dbraw/zinc/03/67/82/246036782.db2.gz BNUVBEHMWBAJBK-KRWDZBQOSA-N 2 0 327.472 2.290 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000264996359 247120485 /nfs/dbraw/zinc/12/04/85/247120485.db2.gz YKJHKRURVBPGKO-GOSISDBHSA-N 2 0 329.488 2.062 20 30 EEEDRP COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1C#N ZINC000369114188 166193817 /nfs/dbraw/zinc/19/38/17/166193817.db2.gz ZVWWZYLFKSWFDK-QFBILLFUSA-N 2 0 342.487 2.025 20 30 EEEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)c(C(F)(F)F)c1 ZINC000352820944 274922968 /nfs/dbraw/zinc/92/29/68/274922968.db2.gz FHGYIERZNGBRNK-UHFFFAOYSA-N 2 0 341.377 2.371 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877116 462648931 /nfs/dbraw/zinc/64/89/31/462648931.db2.gz GBYZBKKPDQKHID-GOSISDBHSA-N 2 0 348.535 2.400 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351901049 465429775 /nfs/dbraw/zinc/42/97/75/465429775.db2.gz QGTHDWHCZSLYGY-INIZCTEOSA-N 2 0 336.524 2.399 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911806 463741018 /nfs/dbraw/zinc/74/10/18/463741018.db2.gz VDQDPKDRDAFXDE-LJQANCHMSA-N 3 0 343.519 2.171 20 30 EEEDRP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261994248 463920385 /nfs/dbraw/zinc/92/03/85/463920385.db2.gz RZYDKMHEFVMWHE-WUTPFUBCSA-N 2 0 338.499 2.220 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000171871066 463940261 /nfs/dbraw/zinc/94/02/61/463940261.db2.gz PMHNTXUIEDPMEB-INIZCTEOSA-N 2 0 327.472 2.200 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cc(OC)ccc1OC ZINC000270473361 464258022 /nfs/dbraw/zinc/25/80/22/464258022.db2.gz ZRAFSXAXVZHLNP-INIZCTEOSA-N 2 0 348.491 2.025 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(CNC(=[NH2+])N[C@H](C)CC)c1 ZINC000274157143 464736034 /nfs/dbraw/zinc/73/60/34/464736034.db2.gz DSSUWHXTHZIVTE-ZIAGYGMSSA-N 2 0 332.496 2.092 20 30 EEEDRP CC[NH+]1CCC(CCNC(=[NH2+])NCCc2ccc(OC)cc2)CC1 ZINC000267451724 464933315 /nfs/dbraw/zinc/93/33/15/464933315.db2.gz RPOOVYQPYORUOD-UHFFFAOYSA-N 2 0 332.492 2.264 20 30 EEEDRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCn2ccnc2C1 ZINC000330169713 465556680 /nfs/dbraw/zinc/55/66/80/465556680.db2.gz DINQMSLSARQOSC-QGZVFWFLSA-N 2 0 345.491 2.356 20 30 EEEDRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353413838 465864989 /nfs/dbraw/zinc/86/49/89/465864989.db2.gz QQDSKBMXMOWCGV-WOJBJXKFSA-N 2 0 326.488 2.407 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042825 465936682 /nfs/dbraw/zinc/93/66/82/465936682.db2.gz WNNJXEHBYIQBAF-IBGZPJMESA-N 2 0 344.503 2.415 20 30 EEEDRP C[NH+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000341169023 466629673 /nfs/dbraw/zinc/62/96/73/466629673.db2.gz HHYNVXOBRCLTMF-UHFFFAOYSA-N 2 0 328.460 2.207 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057463 466766468 /nfs/dbraw/zinc/76/64/68/466766468.db2.gz BIFOJVKSOSPFQU-PKOBYXMFSA-N 2 0 336.524 2.374 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000417058107 466766696 /nfs/dbraw/zinc/76/66/96/466766696.db2.gz DOYMEZVNMYQWKK-WJFTUGDTSA-N 2 0 348.535 2.372 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376744325 466928739 /nfs/dbraw/zinc/92/87/39/466928739.db2.gz SAKNAFHGZYTDJL-FUHWJXTLSA-N 2 0 334.508 2.295 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000433325384 467319032 /nfs/dbraw/zinc/31/90/32/467319032.db2.gz GDCAHINOKAXERP-CRAIPNDOSA-N 2 0 338.459 2.431 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000583192739 468659401 /nfs/dbraw/zinc/65/94/01/468659401.db2.gz YRZUSWVJDOEDPJ-UHFFFAOYSA-N 2 0 328.460 2.494 20 30 EEEDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602511376 469344782 /nfs/dbraw/zinc/34/47/82/469344782.db2.gz QVWMZNAXTHABTQ-GOSISDBHSA-N 2 0 336.524 2.093 20 30 EEEDRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1C#N ZINC000618594221 469398760 /nfs/dbraw/zinc/39/87/60/469398760.db2.gz SFAIPDLGNCURHZ-HXUWFJFHSA-N 2 0 326.488 2.467 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000644531768 470974771 /nfs/dbraw/zinc/97/47/71/470974771.db2.gz IQQKJPNTEOHUTG-APWZRJJASA-N 2 0 330.472 2.229 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669464961 471507485 /nfs/dbraw/zinc/50/74/85/471507485.db2.gz RFBSUCQGVROLJZ-ROUUACIJSA-N 2 0 348.535 2.448 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727467 782140069 /nfs/dbraw/zinc/14/00/69/782140069.db2.gz ZFCWURKGKZMBDM-DAYGRLMNSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103092080 526919291 /nfs/dbraw/zinc/91/92/91/526919291.db2.gz ZSYWIYOJDQXCCE-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP CC[NH+](CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)C1 ZINC000132269888 528248784 /nfs/dbraw/zinc/24/87/84/528248784.db2.gz WZVDRDSFQHDMJK-XDNAFOTISA-N 2 0 348.535 2.326 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214813 676157888 /nfs/dbraw/zinc/15/78/88/676157888.db2.gz QHFHIIAIVPORCU-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021087636 675714699 /nfs/dbraw/zinc/71/46/99/675714699.db2.gz DOUQYEXSECJKDW-XUXIUFHCSA-N 2 0 344.297 2.005 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC001021089197 675715377 /nfs/dbraw/zinc/71/53/77/675715377.db2.gz AYUWTDPDROJVOL-XIKSMUEASA-N 2 0 343.515 2.005 20 30 EEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970212551 675721139 /nfs/dbraw/zinc/72/11/39/675721139.db2.gz HAHSTOSWFUOAJG-INIZCTEOSA-N 2 0 329.488 2.417 20 30 EEEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104173062 678006159 /nfs/dbraw/zinc/00/61/59/678006159.db2.gz PVHILUUECJHLOT-UHFFFAOYSA-N 2 0 348.369 2.280 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746965 678401061 /nfs/dbraw/zinc/40/10/61/678401061.db2.gz UFNQSZZGDOTLIE-HCXYKTFWSA-N 2 0 327.472 2.145 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028604309 681361955 /nfs/dbraw/zinc/36/19/55/681361955.db2.gz UQDOESUGCUQKAB-OALUTQOASA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750364 681413223 /nfs/dbraw/zinc/41/32/23/681413223.db2.gz PTWWRCDXTZDFBN-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246950 682316104 /nfs/dbraw/zinc/31/61/04/682316104.db2.gz HWQJXJUCLDEULF-RTBURBONSA-N 2 0 343.515 2.484 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258049 682336322 /nfs/dbraw/zinc/33/63/22/682336322.db2.gz CHBYXQGETCWWDY-ZWKOTPCHSA-N 2 0 343.471 2.434 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261943106 682513296 /nfs/dbraw/zinc/51/32/96/682513296.db2.gz DZBQZKPSIVHXHL-PKOBYXMFSA-N 2 0 336.524 2.042 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864734 685639640 /nfs/dbraw/zinc/63/96/40/685639640.db2.gz QWBCSFGCFHVHTO-LJQANCHMSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]12 ZINC001026427933 684632902 /nfs/dbraw/zinc/63/29/02/684632902.db2.gz WXEAQQADRVGISI-NZSAHSFTSA-N 2 0 327.472 2.374 20 30 EEEDRP C[NH+]=C(NCCOC1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262448505 686110445 /nfs/dbraw/zinc/11/04/45/686110445.db2.gz JIRINGQCJARKJC-KRWDZBQOSA-N 2 0 336.524 2.471 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](CC(C)C)CC1 ZINC000262475472 686259872 /nfs/dbraw/zinc/25/98/72/686259872.db2.gz ZPFNZJJBYZROSA-VQIMIIECSA-N 2 0 338.540 2.475 20 30 EEEDRP C[C@H]1C[N@H+](CCOc2ccc(CCNC3=[NH+]CCN3C)cc2)C[C@H]1C ZINC000262638346 687693612 /nfs/dbraw/zinc/69/36/12/687693612.db2.gz HDJPGODMDNQPAI-CALCHBBNSA-N 2 0 344.503 2.087 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986354629 688504634 /nfs/dbraw/zinc/50/46/34/688504634.db2.gz KRNINLCMHCCXNG-HNAYVOBHSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000987328816 689607713 /nfs/dbraw/zinc/60/77/13/689607713.db2.gz LCLFHTBRRYWHEC-WMLDXEAASA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@H]2C)CC1 ZINC000987571929 689847827 /nfs/dbraw/zinc/84/78/27/689847827.db2.gz RGTKNXHKNMIDIK-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240287 692050012 /nfs/dbraw/zinc/05/00/12/692050012.db2.gz DXJVNWMVFNWNMS-UYAOXDASSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381415 1186747487 /nfs/dbraw/zinc/74/74/87/1186747487.db2.gz DNJSCTDUUPSDIG-APWZRJJASA-N 2 0 337.483 2.193 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693565 1187660806 /nfs/dbraw/zinc/66/08/06/1187660806.db2.gz LDIFICZKAXLTDO-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001409959867 1194350476 /nfs/dbraw/zinc/35/04/76/1194350476.db2.gz JIIVGVKPZGABDA-KXBFYZLASA-N 2 0 342.487 2.081 20 30 EEEDRP C[NH+]1CCC(C)(C[NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273101471 1194385580 /nfs/dbraw/zinc/38/55/80/1194385580.db2.gz WCVHQOPTVMKJJA-KRWDZBQOSA-N 2 0 346.519 2.240 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202225 1199446253 /nfs/dbraw/zinc/44/62/53/1199446253.db2.gz DYGGRLMYFDIXAI-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001132266753 1199505801 /nfs/dbraw/zinc/50/58/01/1199505801.db2.gz ZQKXQEPGDMHCQP-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)c2sc(C3CC[NH2+]CC3)nc2C)CC1 ZINC000876754043 1199758019 /nfs/dbraw/zinc/75/80/19/1199758019.db2.gz ARMHTQBNGNADGN-UHFFFAOYSA-N 2 0 348.516 2.299 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747660 1200072241 /nfs/dbraw/zinc/07/22/41/1200072241.db2.gz WLBVWUBSGVSTMP-QGZVFWFLSA-N 2 0 342.487 2.189 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887761 1200154388 /nfs/dbraw/zinc/15/43/88/1200154388.db2.gz HUWGTQIVSBZGRT-ZFWWWQNUSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937618 1200212291 /nfs/dbraw/zinc/21/22/91/1200212291.db2.gz MFCMABSPOJRIIJ-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP CCc1cnc(CNC(=[NH+]C)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000130695009 1201993544 /nfs/dbraw/zinc/99/35/44/1201993544.db2.gz KDYAYVGPVDRXOV-AWEZNQCLSA-N 2 0 335.521 2.199 20 30 EEEDRP COCCC[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274940109 1205210641 /nfs/dbraw/zinc/21/06/41/1205210641.db2.gz UGGGSGALXNKHEQ-UHFFFAOYSA-N 2 0 330.476 2.221 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001275358227 1205319739 /nfs/dbraw/zinc/31/97/39/1205319739.db2.gz LWVNSSBRSSDIST-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=CCn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]COCCOC)(C2)CCC3)cn1 ZINC001275381153 1205330650 /nfs/dbraw/zinc/33/06/50/1205330650.db2.gz JOOLDQIKGHHAOQ-RBUKOAKNSA-N 2 0 348.491 2.214 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)n1 ZINC001275605431 1205440771 /nfs/dbraw/zinc/44/07/71/1205440771.db2.gz KCESHIRRQIUJFO-UHFFFAOYSA-N 2 0 336.443 2.164 20 30 EEEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786438 1205526962 /nfs/dbraw/zinc/52/69/62/1205526962.db2.gz NHCHMHZUQSXCQP-PMACEKPBSA-N 2 0 337.471 2.250 20 30 EEEDRP COc1cc(C#N)ccc1C[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001276087098 1205769905 /nfs/dbraw/zinc/76/99/05/1205769905.db2.gz ORWXKAHFOSZBRI-UHFFFAOYSA-N 2 0 342.487 2.026 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000948038957 1208834122 /nfs/dbraw/zinc/83/41/22/1208834122.db2.gz CRAMYVLGSUMCNQ-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710370 1209316410 /nfs/dbraw/zinc/31/64/10/1209316410.db2.gz APNZYKIKCKVGSJ-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726585 1209329664 /nfs/dbraw/zinc/32/96/64/1209329664.db2.gz VFVSBKAZCQZOHU-KRWDZBQOSA-N 2 0 331.460 2.291 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948986121 1209490749 /nfs/dbraw/zinc/49/07/49/1209490749.db2.gz IOSQJUHCNSHNEQ-IEBWSBKVSA-N 2 0 327.472 2.230 20 30 EEEDRP C=CCN1CCOC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000949486723 1209710180 /nfs/dbraw/zinc/71/01/80/1209710180.db2.gz GOGIKOGFAYYYEL-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303768937 1213903218 /nfs/dbraw/zinc/90/32/18/1213903218.db2.gz AQOWCDFKRZZMGE-ROUUACIJSA-N 2 0 339.572 2.378 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957555662 1215206019 /nfs/dbraw/zinc/20/60/19/1215206019.db2.gz IQKVJXQTMGFVMW-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C[C@H]1CCCN(C(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000304761688 1216103979 /nfs/dbraw/zinc/10/39/79/1216103979.db2.gz UTHMFONDDUDFMU-INIZCTEOSA-N 2 0 344.503 2.190 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227284 1217098200 /nfs/dbraw/zinc/09/82/00/1217098200.db2.gz DZGMCQGWBDGYKN-DLBZAZTESA-N 2 0 343.471 2.149 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262856 1217116703 /nfs/dbraw/zinc/11/67/03/1217116703.db2.gz QNXBATGIYYKYEF-SJORKVTESA-N 2 0 330.476 2.099 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375760 1217164052 /nfs/dbraw/zinc/16/40/52/1217164052.db2.gz QIFIWCDQYZHTLH-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CC(=C)C)CC2)CC1 ZINC000964438671 1218366059 /nfs/dbraw/zinc/36/60/59/1218366059.db2.gz YFLLMYGYANHUHD-UHFFFAOYSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968681956 1221487506 /nfs/dbraw/zinc/48/75/06/1221487506.db2.gz NMWGGQOFNKPXJL-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016791640 1226882280 /nfs/dbraw/zinc/88/22/80/1226882280.db2.gz ULLQFQUEYHBONJ-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860535 1226928004 /nfs/dbraw/zinc/92/80/04/1226928004.db2.gz IQNIYCJLPZTCSC-ROUUACIJSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054664610 1248828666 /nfs/dbraw/zinc/82/86/66/1248828666.db2.gz YSMVXKBCTUNYAN-DZGCQCFKSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838763 1227783035 /nfs/dbraw/zinc/78/30/35/1227783035.db2.gz BBDNWJIYEIENLV-ZCNNSNEGSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001018984775 1228606789 /nfs/dbraw/zinc/60/67/89/1228606789.db2.gz DQYLDNWAGZLVHG-ROUUACIJSA-N 2 0 345.512 2.153 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020214242 1229559340 /nfs/dbraw/zinc/55/93/40/1229559340.db2.gz NGQNHTQJVXSQBP-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039132587 1230342019 /nfs/dbraw/zinc/34/20/19/1230342019.db2.gz AJZZPMQXBKYSBU-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152171 1230371772 /nfs/dbraw/zinc/37/17/72/1230371772.db2.gz AUHFZMIYUGNPSO-IHPCNDPISA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039280977 1230506905 /nfs/dbraw/zinc/50/69/05/1230506905.db2.gz UDKGAUBSIGLSMK-MVCQKVDPSA-N 2 0 331.504 2.099 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001040876400 1231393574 /nfs/dbraw/zinc/39/35/74/1231393574.db2.gz FWGSHBHHHRQLFN-INIZCTEOSA-N 2 0 330.476 2.479 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953648 1231408897 /nfs/dbraw/zinc/40/88/97/1231408897.db2.gz RAFHVMJVBBQKJY-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859013 1233321711 /nfs/dbraw/zinc/32/17/11/1233321711.db2.gz YVEMNPJVIVMUOF-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045940947 1234198205 /nfs/dbraw/zinc/19/82/05/1234198205.db2.gz GASVRHMBYMYKSC-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047266232 1235779668 /nfs/dbraw/zinc/77/96/68/1235779668.db2.gz UHLNUSSPTZKGOR-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048861320 1239063218 /nfs/dbraw/zinc/06/32/18/1239063218.db2.gz KTNSYVALXKTOTE-BBWFWOEESA-N 2 0 339.911 2.392 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188647 1240043298 /nfs/dbraw/zinc/04/32/98/1240043298.db2.gz BRYGJKZNYXCBAX-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049232758 1240333031 /nfs/dbraw/zinc/33/30/31/1240333031.db2.gz XVCYGYCNEOEZSI-KDURUIRLSA-N 2 0 327.472 2.328 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478560 1241077831 /nfs/dbraw/zinc/07/78/31/1241077831.db2.gz PTGWZZKQVFCEQW-IPMKNSEASA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561746 1241424328 /nfs/dbraw/zinc/42/43/28/1241424328.db2.gz QATOXWVWEOIXAL-MOPGFXCFSA-N 2 0 336.439 2.345 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566177 1241441801 /nfs/dbraw/zinc/44/18/01/1241441801.db2.gz GYJZHYPOPLTCCZ-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049666226 1241818253 /nfs/dbraw/zinc/81/82/53/1241818253.db2.gz XTKRHFZXJPIQGL-IPMKNSEASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(C)C)CC1 ZINC001049917889 1242702319 /nfs/dbraw/zinc/70/23/19/1242702319.db2.gz JBGKNIQMTWFCHQ-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157754 1243003746 /nfs/dbraw/zinc/00/37/46/1243003746.db2.gz KHWGAKQOPUJSOV-GBESFXJTSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001050708437 1244173551 /nfs/dbraw/zinc/17/35/51/1244173551.db2.gz RKEYIVULIVMXRQ-UHFFFAOYSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C\CC)CC1 ZINC001111455174 1244598048 /nfs/dbraw/zinc/59/80/48/1244598048.db2.gz PWEOJYXLRPQNSA-QFTWQFLFSA-N 2 0 343.515 2.409 20 30 EEEDRP C#CCC[N@H+]1CCc2c(CNC(=O)C3CC[NH+](C)CC3)cccc2C1 ZINC001051298242 1245496546 /nfs/dbraw/zinc/49/65/46/1245496546.db2.gz HSIYXCHALXUYBI-UHFFFAOYSA-N 2 0 339.483 2.026 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cccc2C1 ZINC001051299855 1245501056 /nfs/dbraw/zinc/50/10/56/1245501056.db2.gz PXTHJSSMKYGOFA-UZLBHIALSA-N 2 0 341.499 2.435 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046584 1245763176 /nfs/dbraw/zinc/76/31/76/1245763176.db2.gz LFHKZIZTWQBXOT-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380967 1247160604 /nfs/dbraw/zinc/16/06/04/1247160604.db2.gz GUYVRUSWUCPUDE-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214088 1247736859 /nfs/dbraw/zinc/73/68/59/1247736859.db2.gz QURSYUXBEWBQOT-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175794 1254032915 /nfs/dbraw/zinc/03/29/15/1254032915.db2.gz LEGSEUVQFNIXRM-HKUYNNGSSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115992 1257977226 /nfs/dbraw/zinc/97/72/26/1257977226.db2.gz MHAZLYNHDCITNE-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC2CC2)C3)CC1 ZINC001099174329 1257994126 /nfs/dbraw/zinc/99/41/26/1257994126.db2.gz INOONYRTZONBTH-FPOVZHCZSA-N 2 0 343.515 2.102 20 30 EEEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001099527948 1258191712 /nfs/dbraw/zinc/19/17/12/1258191712.db2.gz FGOYMNISOGMPSA-XSLAGTTESA-N 2 0 333.520 2.319 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](CC)CC ZINC001490925785 1258486334 /nfs/dbraw/zinc/48/63/34/1258486334.db2.gz HAEGLPAKLBFQAB-FHWLQOOXSA-N 2 0 342.487 2.415 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001187322142 1279489670 /nfs/dbraw/zinc/48/96/70/1279489670.db2.gz LFFMWVVDTSDUGW-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC/C=C\CC)C[C@H]32)CC1 ZINC001190317175 1280788987 /nfs/dbraw/zinc/78/89/87/1280788987.db2.gz DPRZWKJOROVTMO-DXPXIUTNSA-N 2 0 343.515 2.221 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001190777461 1281071075 /nfs/dbraw/zinc/07/10/75/1281071075.db2.gz VCWZLZPVWXAFBQ-UXHICEINSA-N 2 0 341.499 2.157 20 30 EEEDRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC001192142482 1281842417 /nfs/dbraw/zinc/84/24/17/1281842417.db2.gz IOUQMESJWSUTRJ-GOSISDBHSA-N 2 0 347.890 2.176 20 30 EEEDRP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192906921 1282228225 /nfs/dbraw/zinc/22/82/25/1282228225.db2.gz RWFJRBXAQYRQSX-GOSISDBHSA-N 2 0 339.524 2.234 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152452244 1285169135 /nfs/dbraw/zinc/16/91/35/1285169135.db2.gz XZMKYMCBCOVSIL-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148533 1289931275 /nfs/dbraw/zinc/93/12/75/1289931275.db2.gz XMYQXZAGJIMVIS-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095519 1295235611 /nfs/dbraw/zinc/23/56/11/1295235611.db2.gz JRSQQAPSRYWUQH-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001211268612 1295788367 /nfs/dbraw/zinc/78/83/67/1295788367.db2.gz KFBPPTDFHYOYSH-LJQANCHMSA-N 2 0 345.462 2.098 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001211269651 1295790459 /nfs/dbraw/zinc/79/04/59/1295790459.db2.gz STGWFQLBTIVVQO-QGZVFWFLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015213 1296696894 /nfs/dbraw/zinc/69/68/94/1296696894.db2.gz MQOMNKBLVVYCAV-SJLPKXTDSA-N 2 0 330.476 2.311 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821520 1297573131 /nfs/dbraw/zinc/57/31/31/1297573131.db2.gz LOOVSAWKSXZRGE-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)C1(N)CC[NH2+]CC1 ZINC001218540877 1297704261 /nfs/dbraw/zinc/70/42/61/1297704261.db2.gz GSJWRQCCLHDJOB-UHFFFAOYSA-N 2 0 344.415 2.445 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067226 1297923758 /nfs/dbraw/zinc/92/37/58/1297923758.db2.gz MJAYDYXVRZETMI-RBUKOAKNSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345416 1298371890 /nfs/dbraw/zinc/37/18/90/1298371890.db2.gz VTFRBOHSPUGOCT-SQNIBIBYSA-N 2 0 339.524 2.015 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059943 1298842346 /nfs/dbraw/zinc/84/23/46/1298842346.db2.gz RHGSUAXEFDQYKY-HBFSDRIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001099178641 1298955858 /nfs/dbraw/zinc/95/58/58/1298955858.db2.gz IXNAAERWIUVIAW-JXFKEZNVSA-N 2 0 343.471 2.339 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099346713 1299064111 /nfs/dbraw/zinc/06/41/11/1299064111.db2.gz INHIOUJDAYYCKY-KFWWJZLASA-N 2 0 347.425 2.272 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001101585660 1299694564 /nfs/dbraw/zinc/69/45/64/1299694564.db2.gz HIERNDLMAZREKO-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001223686598 1300225907 /nfs/dbraw/zinc/22/59/07/1300225907.db2.gz GPRMABAXKKDUFF-UHFFFAOYSA-N 2 0 330.476 2.312 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001224496318 1300618999 /nfs/dbraw/zinc/61/89/99/1300618999.db2.gz RKIIFTQKWBNKFX-SFHVURJKSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225142530 1300911699 /nfs/dbraw/zinc/91/16/99/1300911699.db2.gz LEXADLNVGLZBAN-OAQYLSRUSA-N 2 0 341.499 2.315 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615345 1302889235 /nfs/dbraw/zinc/88/92/35/1302889235.db2.gz HGADFFMZLACARG-RTBURBONSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCCCF)CC2)CC1 ZINC001230355101 1303175429 /nfs/dbraw/zinc/17/54/29/1303175429.db2.gz SJLFRVHYXZUQLD-UHFFFAOYSA-N 2 0 337.483 2.052 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1cccnc1 ZINC001230763380 1303439382 /nfs/dbraw/zinc/43/93/82/1303439382.db2.gz XQQCBYVZYVRYPS-IBGZPJMESA-N 2 0 344.503 2.449 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1CCC)Cc1cccnc1 ZINC001230771669 1303445936 /nfs/dbraw/zinc/44/59/36/1303445936.db2.gz OUCJQMYXSVMQQC-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP COc1cc(C#N)ccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001231619976 1303867177 /nfs/dbraw/zinc/86/71/77/1303867177.db2.gz MYSRHUUUWCCBKW-UHFFFAOYSA-N 2 0 332.492 2.272 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001115289930 1304907204 /nfs/dbraw/zinc/90/72/04/1304907204.db2.gz KBYGIFPPNVJBRM-BWTSREIZSA-N 2 0 345.531 2.204 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001151412438 1316526542 /nfs/dbraw/zinc/52/65/42/1316526542.db2.gz DKJPQDTYHXPMFJ-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001152480489 1316678104 /nfs/dbraw/zinc/67/81/04/1316678104.db2.gz VJFXVDHILXOEJH-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116334 1316961835 /nfs/dbraw/zinc/96/18/35/1316961835.db2.gz IYYAEBLGOWYFEP-OAHLLOKOSA-N 2 0 344.459 2.286 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255209 1317525712 /nfs/dbraw/zinc/52/57/12/1317525712.db2.gz MVXMVOKECKLNLE-IAGOWNOFSA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC#Cc1ccccc1 ZINC001156525835 1318055169 /nfs/dbraw/zinc/05/51/69/1318055169.db2.gz ZSZYMNFTKWCWIR-GOSISDBHSA-N 2 0 329.488 2.207 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256614454 1318801177 /nfs/dbraw/zinc/80/11/77/1318801177.db2.gz TVZVGOFPVHJLRY-OOKSDGMUSA-N 2 0 327.472 2.106 20 30 EEEDRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C#N)CC3)CC2)C1 ZINC001256971685 1318906797 /nfs/dbraw/zinc/90/67/97/1318906797.db2.gz LKORYDUXPXCFRT-CGZBRXJRSA-N 2 0 333.476 2.418 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001157886160 1318917262 /nfs/dbraw/zinc/91/72/62/1318917262.db2.gz ASCDWGCGSPFMSY-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC001157971219 1318954910 /nfs/dbraw/zinc/95/49/10/1318954910.db2.gz WBULMOJRIJBGNO-RTBURBONSA-N 2 0 334.423 2.121 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC001158038143 1318980791 /nfs/dbraw/zinc/98/07/91/1318980791.db2.gz NHJWHECLTRWIAN-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155471 1320085772 /nfs/dbraw/zinc/08/57/72/1320085772.db2.gz HFSHZTXMNQKGEF-IBGZPJMESA-N 2 0 331.504 2.433 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001160272764 1320118582 /nfs/dbraw/zinc/11/85/82/1320118582.db2.gz CWBNMLMOOWGVAE-KRWDZBQOSA-N 2 0 346.450 2.168 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446029 1320503865 /nfs/dbraw/zinc/50/38/65/1320503865.db2.gz VUONJUFNWRANIK-MOPGFXCFSA-N 2 0 329.488 2.165 20 30 EEEDRP C[C@H](c1ccccc1)N(C(=O)C[NH2+]CCC[NH3+])C1=CC(=O)CCC1 ZINC001161509493 1320521914 /nfs/dbraw/zinc/52/19/14/1320521914.db2.gz PZTRDEMYDCAXRU-OAHLLOKOSA-N 2 0 329.444 2.152 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161649323 1320570477 /nfs/dbraw/zinc/57/04/77/1320570477.db2.gz CKVWJAJYIBQLHY-KRWDZBQOSA-N 2 0 348.516 2.336 20 30 EEEDRP N#Cc1c2c(cnc1N(CC[NH3+])c1ccc(F)cc1)C[NH2+]CCC2 ZINC001161878299 1320657489 /nfs/dbraw/zinc/65/74/89/1320657489.db2.gz ALBGHHXFZSSQIE-UHFFFAOYSA-N 2 0 325.391 2.225 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCCC=C)CC2)CC1 ZINC001161946979 1320689451 /nfs/dbraw/zinc/68/94/51/1320689451.db2.gz OWYPKSXVTJEGCM-UHFFFAOYSA-N 2 0 343.515 2.436 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001263151238 1322438822 /nfs/dbraw/zinc/43/88/22/1322438822.db2.gz WNHWCCRFMYYDQF-LJQANCHMSA-N 2 0 340.471 2.322 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205674465 1323238618 /nfs/dbraw/zinc/23/86/18/1323238618.db2.gz TYPPNKDEBDOBTQ-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001265688648 1323322629 /nfs/dbraw/zinc/32/26/29/1323322629.db2.gz YXNMQCHOXUMLLG-VQTJNVASSA-N 2 0 341.499 2.349 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651363 1324999947 /nfs/dbraw/zinc/99/99/47/1324999947.db2.gz REIWFKIMMUWBNV-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210482396 1325304265 /nfs/dbraw/zinc/30/42/65/1325304265.db2.gz NDKBSSFVYBBXHE-IBGZPJMESA-N 2 0 345.462 2.100 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001210784332 1325430187 /nfs/dbraw/zinc/43/01/87/1325430187.db2.gz YJAAOJHDZGMDIM-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001340311102 1337156981 /nfs/dbraw/zinc/15/69/81/1337156981.db2.gz GEPFTWCKPBQCKI-KURKYZTESA-N 2 0 339.524 2.419 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001569597479 1342905850 /nfs/dbraw/zinc/90/58/50/1342905850.db2.gz GAJMXUWLMJWAIO-VQTJNVASSA-N 2 0 335.451 2.314 20 30 EEEDRP C=CCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001574916144 1343711147 /nfs/dbraw/zinc/71/11/47/1343711147.db2.gz RYZYYOYUENFICD-IAGOWNOFSA-N 2 0 346.523 2.242 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001134759603 1367777793 /nfs/dbraw/zinc/77/77/93/1367777793.db2.gz UXMSTWZDGZVACU-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001121916271 1371932644 /nfs/dbraw/zinc/93/26/44/1371932644.db2.gz SYYXHKALXLORMC-ULQDDVLXSA-N 2 0 325.497 2.044 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001121916269 1371932901 /nfs/dbraw/zinc/93/29/01/1371932901.db2.gz SYYXHKALXLORMC-BBWFWOEESA-N 2 0 325.497 2.044 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122063997 1371942674 /nfs/dbraw/zinc/94/26/74/1371942674.db2.gz SPOZYRHRFXVERQ-VCMYPUNYSA-N 2 0 331.504 2.147 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200578146 1373055402 /nfs/dbraw/zinc/05/54/02/1373055402.db2.gz MUGAPRAREJWYRE-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001367183528 1374116971 /nfs/dbraw/zinc/11/69/71/1374116971.db2.gz GGPZBGPKKMVHRZ-QUCCMNQESA-N 2 0 340.471 2.027 20 30 EEEDRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001376327269 1378466037 /nfs/dbraw/zinc/46/60/37/1378466037.db2.gz AFIVFVLLCYYVBI-AWEZNQCLSA-N 2 0 348.516 2.288 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)[NH+](C)C ZINC001376811452 1378766973 /nfs/dbraw/zinc/76/69/73/1378766973.db2.gz YSMUYHWZAURLTG-GOSISDBHSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001379700578 1380831375 /nfs/dbraw/zinc/83/13/75/1380831375.db2.gz ADSGDQVKXPCISO-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001752920701 1406548668 /nfs/dbraw/zinc/54/86/68/1406548668.db2.gz FCCXNGACSUXLIF-QZTJIDSGSA-N 2 0 341.499 2.496 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001399244266 1394873563 /nfs/dbraw/zinc/87/35/63/1394873563.db2.gz JWZPUCVUYOLSJI-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754469798 1406914371 /nfs/dbraw/zinc/91/43/71/1406914371.db2.gz FZZVEPLPHVNBRS-PKOBYXMFSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001402434202 1397998565 /nfs/dbraw/zinc/99/85/65/1397998565.db2.gz RPNQBGCNQPVPGW-KBPBESRZSA-N 2 0 346.313 2.063 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001402629930 1398101588 /nfs/dbraw/zinc/10/15/88/1398101588.db2.gz IHSUQIRISAQIEX-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001754638579 1406936909 /nfs/dbraw/zinc/93/69/09/1406936909.db2.gz CYNDDZMRVOOALU-HKUYNNGSSA-N 2 0 331.504 2.340 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001402977740 1398302405 /nfs/dbraw/zinc/30/24/05/1398302405.db2.gz VLTXGSVGVJOJCL-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC001423269402 1400499255 /nfs/dbraw/zinc/49/92/55/1400499255.db2.gz DGMCXHFACFBIQG-QGZVFWFLSA-N 2 0 346.450 2.022 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(CC)CC)[C@@H](C)C2)CC1 ZINC001755121752 1407131853 /nfs/dbraw/zinc/13/18/53/1407131853.db2.gz LTIYNOFKASZSHA-LPHOPBHVSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001755121751 1407132004 /nfs/dbraw/zinc/13/20/04/1407132004.db2.gz LTIYNOFKASZSHA-APWZRJJASA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755284892 1407292713 /nfs/dbraw/zinc/29/27/13/1407292713.db2.gz FUNDFLDFOWLFAA-LJQANCHMSA-N 2 0 339.499 2.296 20 30 EEEDRP C=CCn1c([C@@H]2CCC[NH2+]2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001574955646 1403529513 /nfs/dbraw/zinc/52/95/13/1403529513.db2.gz YQJNPFPHOSCCSR-INIZCTEOSA-N 2 0 332.496 2.199 20 30 EEEDRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001724993300 1405776934 /nfs/dbraw/zinc/77/69/34/1405776934.db2.gz GUQGGBCJRZITCN-YJBOKZPZSA-N 2 0 347.890 2.270 20 30 EEEDRP CC[C@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001725413249 1405790718 /nfs/dbraw/zinc/79/07/18/1405790718.db2.gz VQGBNLFXVISSJL-PKOBYXMFSA-N 2 0 329.488 2.253 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755520497 1407578282 /nfs/dbraw/zinc/57/82/82/1407578282.db2.gz JVJZTOKWYAPIHM-DLBZAZTESA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755566867 1407637408 /nfs/dbraw/zinc/63/74/08/1407637408.db2.gz CEOGFYIHSHKNEB-LPHOPBHVSA-N 2 0 337.483 2.049 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001755663496 1407713519 /nfs/dbraw/zinc/71/35/19/1407713519.db2.gz LFAJEIFKQPZOFG-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573176 761929629 /nfs/dbraw/zinc/92/96/29/761929629.db2.gz KRSQHRSOCQRGFQ-GUDVDZBRSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211662297 769838124 /nfs/dbraw/zinc/83/81/24/769838124.db2.gz ZFDGWPUAXHWJNU-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942721463 783053269 /nfs/dbraw/zinc/05/32/69/783053269.db2.gz LFFIRYOFIDWBEL-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CC2)CC1 ZINC001089735673 774816467 /nfs/dbraw/zinc/81/64/67/774816467.db2.gz NZTZIFHIMJLLRD-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531719 774970654 /nfs/dbraw/zinc/97/06/54/774970654.db2.gz NLSPICAOQDCPBD-PXNSSMCTSA-N 2 0 333.520 2.206 20 30 EEEDRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[NH+]1CCCC1 ZINC000980800265 775628603 /nfs/dbraw/zinc/62/86/03/775628603.db2.gz OOMNWSWIRNZGIM-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000981527865 777591303 /nfs/dbraw/zinc/59/13/03/777591303.db2.gz METSMRDVQJSUKN-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163680 779183333 /nfs/dbraw/zinc/18/33/33/779183333.db2.gz OCQYGVHPDBYEEF-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236876942 779670903 /nfs/dbraw/zinc/67/09/03/779670903.db2.gz BDXFJEQSKNHISW-GOSISDBHSA-N 2 0 344.503 2.485 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)CC1 ZINC000261689536 780285120 /nfs/dbraw/zinc/28/51/20/780285120.db2.gz IGNMLEZYSPBALM-KSZLIROESA-N 2 0 346.519 2.150 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112121335 780862490 /nfs/dbraw/zinc/86/24/90/780862490.db2.gz HQSXXICSIOLNBD-MGPQQGTHSA-N 2 0 335.414 2.272 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035228567 784118176 /nfs/dbraw/zinc/11/81/76/784118176.db2.gz UDEFXQNWNQCNSQ-OAHLLOKOSA-N 2 0 339.911 2.395 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035210616 784125833 /nfs/dbraw/zinc/12/58/33/784125833.db2.gz ARMNLNJVWFBKIW-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035247267 784184824 /nfs/dbraw/zinc/18/48/24/784184824.db2.gz VLAGQYOHKZLPFY-INIZCTEOSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035260551 784216101 /nfs/dbraw/zinc/21/61/01/784216101.db2.gz ZMVSUEAGOKYUAG-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135743599 784352766 /nfs/dbraw/zinc/35/27/66/784352766.db2.gz MTJKEQXQTGEWNU-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960704 784900990 /nfs/dbraw/zinc/90/09/90/784900990.db2.gz GMTIYJPDWAJDDQ-KGLIPLIRSA-N 2 0 348.329 2.500 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976050 784924352 /nfs/dbraw/zinc/92/43/52/784924352.db2.gz GHRZJQAOGVXYNT-QWHCGFSZSA-N 2 0 334.302 2.110 20 30 EEEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000170913505 791141525 /nfs/dbraw/zinc/14/15/25/791141525.db2.gz RKWLZAKKJLXSNE-IYBDPMFKSA-N 2 0 332.492 2.468 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996994410 788387345 /nfs/dbraw/zinc/38/73/45/788387345.db2.gz HYESMRKHXBZBPU-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735749 805915108 /nfs/dbraw/zinc/91/51/08/805915108.db2.gz VIMBRTBMVYFLAO-RDGPPVDQSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001005991812 789177395 /nfs/dbraw/zinc/17/73/95/789177395.db2.gz PAVLDQIZNLVBPH-UHFFFAOYSA-N 2 0 341.499 2.350 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001171219584 790098646 /nfs/dbraw/zinc/09/86/46/790098646.db2.gz YYEFVXAGODFXSG-MRXNPFEDSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397610 791234802 /nfs/dbraw/zinc/23/48/02/791234802.db2.gz GADNGZXSDDMGMQ-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001147409697 791823542 /nfs/dbraw/zinc/82/35/42/791823542.db2.gz HKYOOAYNLAGLQL-JOCHJYFZSA-N 2 0 349.478 2.221 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092604361 794136845 /nfs/dbraw/zinc/13/68/45/794136845.db2.gz HZHXYYHOLHWDFF-BMFZPTHFSA-N 2 0 327.900 2.296 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC000999490148 794592220 /nfs/dbraw/zinc/59/22/20/794592220.db2.gz POIWDAWZEYTCNI-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CCO2 ZINC001093395436 795167379 /nfs/dbraw/zinc/16/73/79/795167379.db2.gz CXWCRVIGOKMLDS-QPIRBTGLSA-N 2 0 349.519 2.175 20 30 EEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089947791 795311270 /nfs/dbraw/zinc/31/12/70/795311270.db2.gz OEFGRISVLKRQJF-KRWDZBQOSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456052 796051864 /nfs/dbraw/zinc/05/18/64/796051864.db2.gz KQABMWAUUWOCQR-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158873 796335779 /nfs/dbraw/zinc/33/57/79/796335779.db2.gz WZJHTMSHJBMXSQ-YDZRNGNQSA-N 2 0 331.504 2.242 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H]1C ZINC000993339053 796426527 /nfs/dbraw/zinc/42/65/27/796426527.db2.gz QVFGDNRAHIKZIQ-DOTOQJQBSA-N 2 0 330.476 2.307 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585129 796468798 /nfs/dbraw/zinc/46/87/98/796468798.db2.gz OFLZVLQRDUVLQZ-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081213560 796673567 /nfs/dbraw/zinc/67/35/67/796673567.db2.gz DOMLJMILCTXRFI-YTQUADARSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081226361 796678046 /nfs/dbraw/zinc/67/80/46/796678046.db2.gz ABCQWCMCQUBQPS-RBUKOAKNSA-N 2 0 327.472 2.243 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171674143 796682357 /nfs/dbraw/zinc/68/23/57/796682357.db2.gz JOHQCURCBPAJTP-QGZVFWFLSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726002 796885715 /nfs/dbraw/zinc/88/57/15/796885715.db2.gz QALHYNMPRPNJAR-HUUCEWRRSA-N 2 0 339.911 2.488 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741787 796945498 /nfs/dbraw/zinc/94/54/98/796945498.db2.gz KUYJGKZDTUANAX-HZPDHXFCSA-N 2 0 339.911 2.488 20 30 EEEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989117 797182357 /nfs/dbraw/zinc/18/23/57/797182357.db2.gz NASQQXDMCFMIPI-TWMKSMIVSA-N 2 0 348.491 2.162 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001094999574 797211062 /nfs/dbraw/zinc/21/10/62/797211062.db2.gz IVYBGNNLCSTBFH-XHSDSOJGSA-N 2 0 339.911 2.440 20 30 EEEDRP C=CCOC1CCC([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001173326979 797361078 /nfs/dbraw/zinc/36/10/78/797361078.db2.gz YHAYOCXOEIYXMG-UHFFFAOYSA-N 2 0 349.519 2.162 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001175048304 797977045 /nfs/dbraw/zinc/97/70/45/797977045.db2.gz GFBNFNUVSPGFGS-INIZCTEOSA-N 2 0 330.476 2.275 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401623 798384379 /nfs/dbraw/zinc/38/43/79/798384379.db2.gz VVHLPCZLMXRMJC-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)CC1 ZINC001176738685 798543549 /nfs/dbraw/zinc/54/35/49/798543549.db2.gz RMVHUTIIIQWMIV-KRWDZBQOSA-N 2 0 333.520 2.396 20 30 EEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001177320017 798858242 /nfs/dbraw/zinc/85/82/42/798858242.db2.gz YFCSNMHAEAFFTG-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177349101 798901546 /nfs/dbraw/zinc/90/15/46/798901546.db2.gz YCPYMFBIAWYFEC-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178534998 799512328 /nfs/dbraw/zinc/51/23/28/799512328.db2.gz FERJAQQFUQOGAL-ZWKOTPCHSA-N 2 0 337.508 2.082 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001179461189 799934343 /nfs/dbraw/zinc/93/43/43/799934343.db2.gz FBLNIZOKVSZIKZ-UHFFFAOYSA-N 2 0 330.476 2.276 20 30 EEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179591228 799998193 /nfs/dbraw/zinc/99/81/93/799998193.db2.gz QBICYVZRWZPWNI-LJQANCHMSA-N 2 0 339.499 2.488 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968060 800216832 /nfs/dbraw/zinc/21/68/32/800216832.db2.gz LFAJEIFKQPZOFG-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001180227036 800316829 /nfs/dbraw/zinc/31/68/29/800316829.db2.gz YXRZLYZRDUIDNG-KSSFIOAISA-N 2 0 346.450 2.117 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]Cc1ccc(C#N)s1 ZINC001182486752 801225201 /nfs/dbraw/zinc/22/52/01/801225201.db2.gz UNNWSBLAKLWPQY-RDTXWAMCSA-N 2 0 348.516 2.146 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182608508 801275487 /nfs/dbraw/zinc/27/54/87/801275487.db2.gz UWIMIXSVAUZGGL-UKPHBRMFSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182911061 801397401 /nfs/dbraw/zinc/39/74/01/801397401.db2.gz VSTRIFRULUQGRL-QWFCFKBJSA-N 2 0 335.536 2.450 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517300 801623688 /nfs/dbraw/zinc/62/36/88/801623688.db2.gz ZCTQCENKPNNHKR-WSTZPKSXSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006273289 801690103 /nfs/dbraw/zinc/69/01/03/801690103.db2.gz AWPMTHQLNPVJDV-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001184172329 801900198 /nfs/dbraw/zinc/90/01/98/801900198.db2.gz XBGCUTKLIUHUFE-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584935 802423437 /nfs/dbraw/zinc/42/34/37/802423437.db2.gz CMSDSPCDMDZXHF-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185293548 802447316 /nfs/dbraw/zinc/44/73/16/802447316.db2.gz HKPXUCIMQQNZLK-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530613 803829980 /nfs/dbraw/zinc/82/99/80/803829980.db2.gz FTULVLGVNPNRQO-UHFFFAOYSA-N 2 0 327.513 2.164 20 30 EEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001113634413 809395985 /nfs/dbraw/zinc/39/59/85/809395985.db2.gz BMPBSUSOFKFYIL-SFHVURJKSA-N 2 0 339.524 2.069 20 30 EEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001437988516 1090584613 /nfs/dbraw/zinc/58/46/13/1090584613.db2.gz PULZNXSAIAJKJP-INIZCTEOSA-N 2 0 327.900 2.251 20 30 EEEDRP C[C@@H](CNC(=O)CCCn1ccnc1)N(C)Cc1ccc(C#N)s1 ZINC001441022508 1094307390 /nfs/dbraw/zinc/30/73/90/1094307390.db2.gz IJOXHPMDQNNVEY-AWEZNQCLSA-N 2 0 345.472 2.233 20 30 EEEDRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443926627 1098446864 /nfs/dbraw/zinc/44/68/64/1098446864.db2.gz BOUCKZRXRDXFAR-MRXNPFEDSA-N 2 0 346.450 2.166 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310470 1098868717 /nfs/dbraw/zinc/86/87/17/1098868717.db2.gz PXTJRQPWPJPYES-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001446421676 1100835958 /nfs/dbraw/zinc/83/59/58/1100835958.db2.gz QMBWQSFFNMQIPV-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001496449602 1101041354 /nfs/dbraw/zinc/04/13/54/1101041354.db2.gz OZKMLPIILRPBEI-HUUCEWRRSA-N 2 0 327.900 2.297 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496601195 1101203266 /nfs/dbraw/zinc/20/32/66/1101203266.db2.gz YSCZFMTYBIXPKI-LJQANCHMSA-N 2 0 342.487 2.130 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC001479301273 1110678066 /nfs/dbraw/zinc/67/80/66/1110678066.db2.gz ZTPHYCHYSGLSLL-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001501698620 1113440337 /nfs/dbraw/zinc/44/03/37/1113440337.db2.gz PNBKOWIPWQHKCI-BZUAXINKSA-N 2 0 327.900 2.488 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106669 530058995 /nfs/dbraw/zinc/05/89/95/530058995.db2.gz LZJWSRZVEXVJOR-AEFFLSMTSA-N 2 0 326.444 2.303 20 30 EEEDRP C[NH+]1CCC(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000330168751 539789219 /nfs/dbraw/zinc/78/92/19/539789219.db2.gz CUBCCIXEBBFTSI-MSOLQXFVSA-N 2 0 337.508 2.443 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000355408876 163179175 /nfs/dbraw/zinc/17/91/75/163179175.db2.gz KTSHNGVIGJNHTO-CALCHBBNSA-N 2 0 342.487 2.321 20 30 EEEDRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000560896969 318817342 /nfs/dbraw/zinc/81/73/42/318817342.db2.gz OLHRIVVENZDGSS-QGZVFWFLSA-N 2 0 342.487 2.005 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000339050605 465052801 /nfs/dbraw/zinc/05/28/01/465052801.db2.gz RKEILLOJVQFEIY-IEBWSBKVSA-N 2 0 346.519 2.383 20 30 EEEDRP COCCNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000066243393 462865954 /nfs/dbraw/zinc/86/59/54/462865954.db2.gz DWOBBFLEIHFPIL-IYBDPMFKSA-N 2 0 332.492 2.215 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171607000 463892207 /nfs/dbraw/zinc/89/22/07/463892207.db2.gz ZVRXGQIXDFEHAY-SFHVURJKSA-N 2 0 334.508 2.297 20 30 EEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000185868419 463894981 /nfs/dbraw/zinc/89/49/81/463894981.db2.gz ZCZJTMMKCWDNRX-GOSISDBHSA-N 2 0 344.503 2.485 20 30 EEEDRP C=CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262046666 463934310 /nfs/dbraw/zinc/93/43/10/463934310.db2.gz ZCPSPVMAVALJMT-JKSUJKDBSA-N 2 0 326.448 2.211 20 30 EEEDRP C[NH+]=C(NCCc1cc2ccccc2o1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262674075 464037835 /nfs/dbraw/zinc/03/78/35/464037835.db2.gz QLJVEFCOEFFSPF-QGZVFWFLSA-N 2 0 338.455 2.497 20 30 EEEDRP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1C[N@H+](C)CCN1C ZINC000264791060 464467413 /nfs/dbraw/zinc/46/74/13/464467413.db2.gz HHJYPHZECLOCKY-IBGZPJMESA-N 2 0 345.535 2.076 20 30 EEEDRP C[N@H+](CCC(=O)Nc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285433821 464562209 /nfs/dbraw/zinc/56/22/09/464562209.db2.gz HTKRIVCSTMAIEV-SJPCQFCGSA-N 2 0 326.444 2.444 20 30 EEEDRP C#CC[N@@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984920 464670696 /nfs/dbraw/zinc/67/06/96/464670696.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 0 349.906 2.256 20 30 EEEDRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551998 468420271 /nfs/dbraw/zinc/42/02/71/468420271.db2.gz SBAJCLWCHBYLMB-WMZOPIPTSA-N 2 0 333.476 2.254 20 30 EEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978974 464719854 /nfs/dbraw/zinc/71/98/54/464719854.db2.gz LZJWSRZVEXVJOR-FUHWJXTLSA-N 2 0 326.444 2.303 20 30 EEEDRP C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+]1CCN(C)CC1 ZINC000267336753 464926247 /nfs/dbraw/zinc/92/62/47/464926247.db2.gz RZCIJQZGUYWYLV-MRXNPFEDSA-N 2 0 343.519 2.176 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3coc(C[NH3+])c3)CC2)c1 ZINC000593918749 468433940 /nfs/dbraw/zinc/43/39/40/468433940.db2.gz HTAONCHJVGWILN-UHFFFAOYSA-N 2 0 338.411 2.004 20 30 EEEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411353280 466812801 /nfs/dbraw/zinc/81/28/01/466812801.db2.gz LDLYCTOGMBEBHG-UHFFFAOYSA-N 2 0 334.508 2.240 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCC1 ZINC000571315945 468771473 /nfs/dbraw/zinc/77/14/73/468771473.db2.gz PUOCJXXHAFIFAI-KRWDZBQOSA-N 2 0 331.460 2.010 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000669385662 471472084 /nfs/dbraw/zinc/47/20/84/471472084.db2.gz NXAPNOCYYHSPNZ-KZNAEPCWSA-N 2 0 334.508 2.078 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681630 472203975 /nfs/dbraw/zinc/20/39/75/472203975.db2.gz KMIPVSMBJLQZPW-ZBFHGGJFSA-N 2 0 347.425 2.343 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118915 674595276 /nfs/dbraw/zinc/59/52/76/674595276.db2.gz ZSLDMHNPMUVGTA-MRXNPFEDSA-N 2 0 328.460 2.145 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001021590459 676245375 /nfs/dbraw/zinc/24/53/75/676245375.db2.gz GBHGIFKEGUJHCE-WMZOPIPTSA-N 2 0 342.487 2.261 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671660 676326937 /nfs/dbraw/zinc/32/69/37/676326937.db2.gz UWLLKQPNLMRTHQ-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001039305139 676335927 /nfs/dbraw/zinc/33/59/27/676335927.db2.gz ZECRIYGANBLIBW-YQQQUEKLSA-N 2 0 331.504 2.242 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682773 676338700 /nfs/dbraw/zinc/33/87/00/676338700.db2.gz TWHMCENPQDOMKF-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401012 678685409 /nfs/dbraw/zinc/68/54/09/678685409.db2.gz GYPTWSXZNGTKFQ-QRVBRYPASA-N 2 0 327.472 2.051 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023124866 679134969 /nfs/dbraw/zinc/13/49/69/679134969.db2.gz LSRMDYWIXZKXJR-RGCFKVTRSA-N 2 0 340.471 2.168 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@]2(C)C1 ZINC000982716808 682095976 /nfs/dbraw/zinc/09/59/76/682095976.db2.gz MNZUTKZGSJYJRA-OYRHEFFESA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241454 682300420 /nfs/dbraw/zinc/30/04/20/682300420.db2.gz XNVGQBOGCOBXPX-ROUUACIJSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461499 682829228 /nfs/dbraw/zinc/82/92/28/682829228.db2.gz UPOGVUWGMZTKDV-RDJZCZTQSA-N 2 0 338.455 2.496 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038366683 684475364 /nfs/dbraw/zinc/47/53/64/684475364.db2.gz IKLYJUCYWOOKEH-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001029844224 687306639 /nfs/dbraw/zinc/30/66/39/687306639.db2.gz YSDCQZLONUSWKN-OALUTQOASA-N 2 0 342.487 2.179 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001027441057 688158437 /nfs/dbraw/zinc/15/84/37/688158437.db2.gz RHXGBJCGFWMSSA-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000977655195 692884434 /nfs/dbraw/zinc/88/44/34/692884434.db2.gz NNDJROQPAHMEBZ-GOSISDBHSA-N 2 0 331.504 2.124 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027578574 693202724 /nfs/dbraw/zinc/20/27/24/693202724.db2.gz NWHHXCLKWZSBRC-MOPGFXCFSA-N 2 0 342.487 2.321 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)cnc4c3)CCC[C@@H]12 ZINC000990712398 693276222 /nfs/dbraw/zinc/27/62/22/693276222.db2.gz NZRNBHFNBDVQAX-XLIONFOSSA-N 2 0 336.439 2.393 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001481120382 1179801821 /nfs/dbraw/zinc/80/18/21/1179801821.db2.gz CJBYIZLHMKCDHD-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541967 1188154815 /nfs/dbraw/zinc/15/48/15/1188154815.db2.gz MJLVDRUCDKXGHQ-SFHVURJKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335442 1188299113 /nfs/dbraw/zinc/29/91/13/1188299113.db2.gz ITLUGPQGKCBQRA-GOSISDBHSA-N 2 0 333.520 2.396 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001034003438 1195645303 /nfs/dbraw/zinc/64/53/03/1195645303.db2.gz DCUVHODBZWGVEI-LJQANCHMSA-N 2 0 336.439 2.432 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001034045498 1195696992 /nfs/dbraw/zinc/69/69/92/1195696992.db2.gz JWYSRSCRSAFKDT-WMZOPIPTSA-N 2 0 337.483 2.003 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115363 1195758139 /nfs/dbraw/zinc/75/81/39/1195758139.db2.gz OMQJUZDOYFTPOI-LJQANCHMSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001034538879 1196362770 /nfs/dbraw/zinc/36/27/70/1196362770.db2.gz UHGZQZDDGWUWLG-HFTQHKIXSA-N 2 0 337.895 2.055 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132215322 1199441871 /nfs/dbraw/zinc/44/18/71/1199441871.db2.gz VTHIODRERZGNHQ-SJORKVTESA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133015962 1200314313 /nfs/dbraw/zinc/31/43/13/1200314313.db2.gz JYCKVVRQYLUGRH-MSOLQXFVSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C(C)C ZINC001133410403 1200878536 /nfs/dbraw/zinc/87/85/36/1200878536.db2.gz DAAPJXMBOONFJS-UHFFFAOYSA-N 2 0 335.879 2.232 20 30 EEEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)cc1C#N ZINC001275212408 1205281802 /nfs/dbraw/zinc/28/18/02/1205281802.db2.gz QXVXOKOEYGBHIT-RBUKOAKNSA-N 2 0 338.459 2.345 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006438738 1209435946 /nfs/dbraw/zinc/43/59/46/1209435946.db2.gz LRHGLNLOUDOKCY-UHFFFAOYSA-N 2 0 327.472 2.308 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000960315300 1216488957 /nfs/dbraw/zinc/48/89/57/1216488957.db2.gz RUBCRJGZTNUYDW-UYAOXDASSA-N 2 0 327.472 2.276 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277534 1217123864 /nfs/dbraw/zinc/12/38/64/1217123864.db2.gz SZVHMSDFTJTDHO-MSOLQXFVSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314931 1217507172 /nfs/dbraw/zinc/50/71/72/1217507172.db2.gz QIFHEYDBBVDMOU-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327948 1217522961 /nfs/dbraw/zinc/52/29/61/1217522961.db2.gz JJJDNCJMVGSCKQ-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424643 1220501474 /nfs/dbraw/zinc/50/14/74/1220501474.db2.gz UFENXYMORHDHBI-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674454 1221482796 /nfs/dbraw/zinc/48/27/96/1221482796.db2.gz QZAAQJCNCASOKI-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000968824506 1221600773 /nfs/dbraw/zinc/60/07/73/1221600773.db2.gz AGQDEQLXUDYMGQ-CYBMUJFWSA-N 2 0 327.881 2.366 20 30 EEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109083 1221816402 /nfs/dbraw/zinc/81/64/02/1221816402.db2.gz UKDHRLHMOBDBGD-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860998 1226928702 /nfs/dbraw/zinc/92/87/02/1226928702.db2.gz MDZJNILNUDTGFA-ZWKOTPCHSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C/C=C\Cl)CC3)CC1 ZINC001016984581 1227014363 /nfs/dbraw/zinc/01/43/63/1227014363.db2.gz FHPHGQSOPZYSKC-MGEKVANASA-N 2 0 349.906 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235858 1230469272 /nfs/dbraw/zinc/46/92/72/1230469272.db2.gz RTYNXDDEAAMTNB-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039385094 1230570061 /nfs/dbraw/zinc/57/00/61/1230570061.db2.gz YBCRDWJSVHZQRP-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001039404230 1230586149 /nfs/dbraw/zinc/58/61/49/1230586149.db2.gz OHANWKJMEHNINE-SJORKVTESA-N 2 0 337.427 2.132 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458206 1230624279 /nfs/dbraw/zinc/62/42/79/1230624279.db2.gz JUZOTMKFHGXKJF-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040431409 1231228550 /nfs/dbraw/zinc/22/85/50/1231228550.db2.gz HTHJQGHEIQSTPL-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001040760494 1231360600 /nfs/dbraw/zinc/36/06/00/1231360600.db2.gz KUBOTACELJKQRW-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040786869 1231367977 /nfs/dbraw/zinc/36/79/77/1231367977.db2.gz KIKHIZZKABKWGU-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767039 1231683789 /nfs/dbraw/zinc/68/37/89/1231683789.db2.gz DJTDSSLPDCNILN-FQEVSTJZSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776381 1231688830 /nfs/dbraw/zinc/68/88/30/1231688830.db2.gz ANNBRMVEFMOTPA-HXUWFJFHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042111240 1231896036 /nfs/dbraw/zinc/89/60/36/1231896036.db2.gz IDVKQHWZQGIFBH-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044745635 1233230340 /nfs/dbraw/zinc/23/03/40/1233230340.db2.gz YBAUAAMVOXEHOT-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001045070582 1233483553 /nfs/dbraw/zinc/48/35/53/1233483553.db2.gz LVRDPPZXNWYPBY-HNNXBMFYSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979840 1234269215 /nfs/dbraw/zinc/26/92/15/1234269215.db2.gz KJLQOEKCSHRELB-ICSRJNTNSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001046849783 1235247081 /nfs/dbraw/zinc/24/70/81/1235247081.db2.gz JBHCQKXHHSWMBB-NRFANRHFSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950585 1235346146 /nfs/dbraw/zinc/34/61/46/1235346146.db2.gz IPMPFFAPSNJTLG-HNNXBMFYSA-N 2 0 341.446 2.264 20 30 EEEDRP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001046952755 1235348598 /nfs/dbraw/zinc/34/85/98/1235348598.db2.gz VKSXFJIYDSLGHW-OAHLLOKOSA-N 2 0 341.446 2.122 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046965879 1235366245 /nfs/dbraw/zinc/36/62/45/1235366245.db2.gz FBMZDTGMYRYTNW-HRCADAONSA-N 2 0 343.462 2.366 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001046994748 1235407320 /nfs/dbraw/zinc/40/73/20/1235407320.db2.gz LSBGMRJYJNSSGW-LSDHHAIUSA-N 2 0 329.435 2.120 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CC2)C3)CC1 ZINC001047209873 1235673479 /nfs/dbraw/zinc/67/34/79/1235673479.db2.gz YYJCUNIGQHEFMX-SXLOBPIMSA-N 2 0 343.515 2.101 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047258113 1235764119 /nfs/dbraw/zinc/76/41/19/1235764119.db2.gz XHZNAGSXXQWOCY-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537523 1237906870 /nfs/dbraw/zinc/90/68/70/1237906870.db2.gz DQABKNBYZHTTEC-OUUBHVDSSA-N 2 0 343.515 2.386 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538557 1237909189 /nfs/dbraw/zinc/90/91/89/1237909189.db2.gz ZUKPDZIEAYBMFZ-KNJMJIDISA-N 2 0 343.515 2.386 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048590322 1238041984 /nfs/dbraw/zinc/04/19/84/1238041984.db2.gz MSJJONQOZUVREO-FNLKRUPLSA-N 2 0 339.483 2.354 20 30 EEEDRP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001048628219 1238139774 /nfs/dbraw/zinc/13/97/74/1238139774.db2.gz AQKRCCSHDQPHKG-KRWDZBQOSA-N 2 0 342.487 2.012 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@H+]3CC)cccc2C1 ZINC001051306854 1245511837 /nfs/dbraw/zinc/51/18/37/1245511837.db2.gz UJYKUQWFBGWMQT-FQEVSTJZSA-N 2 0 339.483 2.169 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001101553958 1245958038 /nfs/dbraw/zinc/95/80/38/1245958038.db2.gz ZGVQXOXRKKKJOT-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053673682 1246626187 /nfs/dbraw/zinc/62/61/87/1246626187.db2.gz FGYKDRUHRVDSCL-ROUUACIJSA-N 2 0 349.519 2.175 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254966 1246784257 /nfs/dbraw/zinc/78/42/57/1246784257.db2.gz SLFKBQUCTYAXES-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054134235 1247485590 /nfs/dbraw/zinc/48/55/90/1247485590.db2.gz XLEILNYWRGFDJJ-QUCCMNQESA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144182 1247515225 /nfs/dbraw/zinc/51/52/25/1247515225.db2.gz RIOYJVGPHYJVJB-PZJWPPBQSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147780 1247526997 /nfs/dbraw/zinc/52/69/97/1247526997.db2.gz XYPOOANQZRRAPD-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052552166 1247544112 /nfs/dbraw/zinc/54/41/12/1247544112.db2.gz VLKRMOWRJCOOMF-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209762 1247725258 /nfs/dbraw/zinc/72/52/58/1247725258.db2.gz XFDZJPTVJSTJPL-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991434 1257918047 /nfs/dbraw/zinc/91/80/47/1257918047.db2.gz YJASAOGTELSCBE-HBFSDRIKSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCCO1 ZINC001201072334 1287281780 /nfs/dbraw/zinc/28/17/80/1287281780.db2.gz NABDUDZLMYNFFQ-SFHVURJKSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974138 1295058069 /nfs/dbraw/zinc/05/80/69/1295058069.db2.gz KYUDSRPIBKWNGY-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001215004000 1296689780 /nfs/dbraw/zinc/68/97/80/1296689780.db2.gz PDTYFLKYJLCXBY-CRAIPNDOSA-N 2 0 342.487 2.225 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387826 1296885065 /nfs/dbraw/zinc/88/50/65/1296885065.db2.gz VDLGFQNNCZNFFE-QRQLOZEOSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215540798 1296934399 /nfs/dbraw/zinc/93/43/99/1296934399.db2.gz QGHBVHCUGINZKB-IIDMSEBBSA-N 2 0 325.472 2.212 20 30 EEEDRP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)CNCCC[NH3+] ZINC001218541538 1297703442 /nfs/dbraw/zinc/70/34/42/1297703442.db2.gz LNBLQMWKZXONDH-UHFFFAOYSA-N 2 0 332.404 2.303 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001218943776 1297875079 /nfs/dbraw/zinc/87/50/79/1297875079.db2.gz AOIHAZUOFIFXDJ-KRWDZBQOSA-N 2 0 343.475 2.204 20 30 EEEDRP N#Cc1ccc(NC(=O)c2ccc([C@H](N)C[NH3+])cc2)c2cccnc12 ZINC001219467475 1298031707 /nfs/dbraw/zinc/03/17/07/1298031707.db2.gz JFMGDRZXOPOKGW-MRXNPFEDSA-N 2 0 331.379 2.317 20 30 EEEDRP N#CC1(NC(=O)c2cccc(C[NH3+])c2)CC[NH+](Cc2ccccc2)CC1 ZINC001220646080 1298488477 /nfs/dbraw/zinc/48/84/77/1298488477.db2.gz KHZILLIWAXMVKR-UHFFFAOYSA-N 2 0 348.450 2.433 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001220868617 1298564991 /nfs/dbraw/zinc/56/49/91/1298564991.db2.gz MEBRMFDTJFQJPF-ROUUACIJSA-N 2 0 347.528 2.322 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295726 1299001490 /nfs/dbraw/zinc/00/14/90/1299001490.db2.gz QQYXDYZLMHDVPM-RBSFLKMASA-N 2 0 347.425 2.273 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522212 1299184409 /nfs/dbraw/zinc/18/44/09/1299184409.db2.gz VJUKTGQQGMXANE-MANSERQUSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCCCC[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001276888113 1300118705 /nfs/dbraw/zinc/11/87/05/1300118705.db2.gz UANALAUHPCPINB-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP CCCCCCC[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225168325 1300920866 /nfs/dbraw/zinc/92/08/66/1300920866.db2.gz UCIHXCVOTRXVOY-UHFFFAOYSA-N 2 0 341.540 2.363 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228604308 1302334214 /nfs/dbraw/zinc/33/42/14/1302334214.db2.gz ZZSNPTPSLFCEMD-GPMSIDNRSA-N 2 0 337.483 2.239 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229126871 1302631176 /nfs/dbraw/zinc/63/11/76/1302631176.db2.gz NMNCZZJNAVPHPB-RTBURBONSA-N 2 0 327.472 2.402 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359297 1302808381 /nfs/dbraw/zinc/80/83/81/1302808381.db2.gz SVTBSTLZWBIEGM-QRVBRYPASA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448716 1309546761 /nfs/dbraw/zinc/54/67/61/1309546761.db2.gz DXIUSZMLEUAAMT-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001122118560 1310226000 /nfs/dbraw/zinc/22/60/00/1310226000.db2.gz JHWAQSLWFGOOKD-IAGOWNOFSA-N 2 0 339.524 2.339 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246411639 1310304743 /nfs/dbraw/zinc/30/47/43/1310304743.db2.gz BIJYKWJDRUFVFA-ROUUACIJSA-N 2 0 346.906 2.486 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2ccc(F)cc2)CCN1 ZINC001246444337 1310313616 /nfs/dbraw/zinc/31/36/16/1310313616.db2.gz KKQMIWZJKCPFCF-FHWLQOOXSA-N 2 0 330.451 2.490 20 30 EEEDRP C=CCOc1ccc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)c(F)c1 ZINC001248223511 1310868318 /nfs/dbraw/zinc/86/83/18/1310868318.db2.gz LFVLVDZOGSBHGW-LBPRGKRZSA-N 2 0 334.395 2.439 20 30 EEEDRP C#CCOc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001138560198 1314630854 /nfs/dbraw/zinc/63/08/54/1314630854.db2.gz LASNNPVNPOFBNL-UHFFFAOYSA-N 2 0 341.499 2.158 20 30 EEEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001149921202 1316090331 /nfs/dbraw/zinc/09/03/31/1316090331.db2.gz KQJUCFQWYFHJEH-KRWDZBQOSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001150580741 1316306173 /nfs/dbraw/zinc/30/61/73/1316306173.db2.gz ZIMRHUCWNSZGKI-RBUKOAKNSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626082 1316321004 /nfs/dbraw/zinc/32/10/04/1316321004.db2.gz SPHXZSRLCHAKHB-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761350 1316366958 /nfs/dbraw/zinc/36/69/58/1316366958.db2.gz MVRORIJTOUXKRV-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361988 1316512252 /nfs/dbraw/zinc/51/22/52/1316512252.db2.gz RNDGTMZIZPWFJV-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152138320 1316637444 /nfs/dbraw/zinc/63/74/44/1316637444.db2.gz UWBJGAZHNYMEMJ-IYBDPMFKSA-N 2 0 347.890 2.270 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC001152471013 1316676538 /nfs/dbraw/zinc/67/65/38/1316676538.db2.gz IHOOFKQQISFLHL-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC001152480504 1316678083 /nfs/dbraw/zinc/67/80/83/1316678083.db2.gz VQGABGGXOCVUHV-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237933 1317517289 /nfs/dbraw/zinc/51/72/89/1317517289.db2.gz QSCSQERRMUCGCB-CRAIPNDOSA-N 2 0 325.472 2.049 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621004 1317676940 /nfs/dbraw/zinc/67/69/40/1317676940.db2.gz LDXBPNVOLMQBNP-MSOLQXFVSA-N 2 0 339.524 2.279 20 30 EEEDRP C=C[C@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576721 1317884922 /nfs/dbraw/zinc/88/49/22/1317884922.db2.gz HEMUMNSFFDYSPK-OALUTQOASA-N 2 0 330.472 2.289 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029705 1318977313 /nfs/dbraw/zinc/97/73/13/1318977313.db2.gz MAXVXFMWFDAQTG-IAGOWNOFSA-N 2 0 325.472 2.003 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001158403234 1319221286 /nfs/dbraw/zinc/22/12/86/1319221286.db2.gz BRGCVWVWXPWYET-FUHWJXTLSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001159328628 1319742044 /nfs/dbraw/zinc/74/20/44/1319742044.db2.gz UUTDJIVFOXMFLQ-LJQANCHMSA-N 2 0 345.462 2.148 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001159839081 1320002001 /nfs/dbraw/zinc/00/20/01/1320002001.db2.gz TVYODKAFESJKJL-LJQANCHMSA-N 2 0 342.487 2.132 20 30 EEEDRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CCC1 ZINC001159854286 1320005344 /nfs/dbraw/zinc/00/53/44/1320005344.db2.gz OLZDFLFIFRBCLN-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119328 1320074430 /nfs/dbraw/zinc/07/44/30/1320074430.db2.gz ACLDRMVRDSPBLT-LJQANCHMSA-N 2 0 349.519 2.200 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986754 1320344067 /nfs/dbraw/zinc/34/40/67/1320344067.db2.gz VQRVFGWOMYTTPF-IBGZPJMESA-N 2 0 331.504 2.270 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163007040 1321011950 /nfs/dbraw/zinc/01/19/50/1321011950.db2.gz NOMVBLOKIVEUGI-UHFFFAOYSA-N 2 0 329.488 2.011 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001163126058 1321044258 /nfs/dbraw/zinc/04/42/58/1321044258.db2.gz PAKPJOHHGYMGOC-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001163833329 1321229224 /nfs/dbraw/zinc/22/92/24/1321229224.db2.gz MQPJWPPKYFAEAT-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001164574317 1321421973 /nfs/dbraw/zinc/42/19/73/1321421973.db2.gz HETHMHIRWDSDJP-HOCLYGCPSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426451 1321878692 /nfs/dbraw/zinc/87/86/92/1321878692.db2.gz KRQFLPNEBJGMPP-OALUTQOASA-N 2 0 341.499 2.364 20 30 EEEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CC4(C)COC4)(C2)CCC3)cc1C#N ZINC001276415695 1321940716 /nfs/dbraw/zinc/94/07/16/1321940716.db2.gz PJIHUJUFOGLSOH-VQTJNVASSA-N 2 0 342.487 2.458 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742246 1321952085 /nfs/dbraw/zinc/95/20/85/1321952085.db2.gz MNJBHHUUUORHEU-ZWKOTPCHSA-N 2 0 331.504 2.293 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001263121471 1322435730 /nfs/dbraw/zinc/43/57/30/1322435730.db2.gz XMGWTFINMNOHCR-YJBOKZPZSA-N 2 0 330.476 2.407 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001208541645 1324551172 /nfs/dbraw/zinc/55/11/72/1324551172.db2.gz DWENSOLTOKIYNY-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317263846 1332157658 /nfs/dbraw/zinc/15/76/58/1332157658.db2.gz FPJVLYHWRFLCJG-CRAIPNDOSA-N 2 0 349.906 2.372 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001393179898 1390356547 /nfs/dbraw/zinc/35/65/47/1390356547.db2.gz KNDWUVHQDSSOIX-AWEZNQCLSA-N 2 0 327.900 2.299 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001134759602 1367777126 /nfs/dbraw/zinc/77/71/26/1367777126.db2.gz UXMSTWZDGZVACU-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC001134756502 1367780638 /nfs/dbraw/zinc/78/06/38/1367780638.db2.gz GMHLDIAXBSZQMX-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156391 1368884708 /nfs/dbraw/zinc/88/47/08/1368884708.db2.gz DGRGOXNEQVHOFW-LJQANCHMSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 ZINC001098113235 1370301755 /nfs/dbraw/zinc/30/17/55/1370301755.db2.gz NTDHVZYTEMEQCT-KURKYZTESA-N 2 0 337.427 2.179 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111753336 1371241295 /nfs/dbraw/zinc/24/12/95/1371241295.db2.gz WBLWNUBIWOOHRR-BJLQDIEVSA-N 2 0 331.504 2.265 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001389654239 1388236370 /nfs/dbraw/zinc/23/63/70/1388236370.db2.gz DCAPKWKZSRUZHR-ROUUACIJSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001367862041 1374291561 /nfs/dbraw/zinc/29/15/61/1374291561.db2.gz MGGLNAMNWHQCCZ-GOEBONIOSA-N 2 0 327.900 2.488 20 30 EEEDRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001371769296 1375626456 /nfs/dbraw/zinc/62/64/56/1375626456.db2.gz JKEMJEZEJYZZAD-AWEZNQCLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001376260825 1378403716 /nfs/dbraw/zinc/40/37/16/1378403716.db2.gz XJJTZAAOOZCQFL-RTBURBONSA-N 2 0 342.487 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001377002961 1378911013 /nfs/dbraw/zinc/91/10/13/1378911013.db2.gz XUYHAXFMLXKNAA-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC001378905001 1380258927 /nfs/dbraw/zinc/25/89/27/1380258927.db2.gz OPKKMKYMXZGUOS-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001379234365 1380646443 /nfs/dbraw/zinc/64/64/43/1380646443.db2.gz SNWMSLPMYNXVLE-KBXCAEBGSA-N 2 0 348.466 2.220 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609377 1388697333 /nfs/dbraw/zinc/69/73/33/1388697333.db2.gz HLAZIFITIMBNKW-LSDHHAIUSA-N 2 0 348.516 2.479 20 30 EEEDRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001381481653 1381621599 /nfs/dbraw/zinc/62/15/99/1381621599.db2.gz FVXYQQWGRZFNFD-SFHVURJKSA-N 2 0 344.503 2.473 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001382306846 1382060759 /nfs/dbraw/zinc/06/07/59/1382060759.db2.gz COBFCSRNZMWSFP-CABCVRRESA-N 2 0 348.516 2.431 20 30 EEEDRP CN(C(=O)C[N@H+](C)C1CCC1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001382579769 1382137801 /nfs/dbraw/zinc/13/78/01/1382137801.db2.gz SJWOSPXWHWSLFE-UHFFFAOYSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001393086215 1390313330 /nfs/dbraw/zinc/31/33/30/1390313330.db2.gz XBOZCSWBCQLTKW-OAHLLOKOSA-N 2 0 327.900 2.345 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001752921202 1406549395 /nfs/dbraw/zinc/54/93/95/1406549395.db2.gz NSMDRUAQHQISRV-ICSRJNTNSA-N 2 0 341.499 2.253 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001399408866 1395054467 /nfs/dbraw/zinc/05/44/67/1395054467.db2.gz XQGDYRZADMFALT-CQSZACIVSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001401719320 1397528828 /nfs/dbraw/zinc/52/88/28/1397528828.db2.gz KSTNFHOXVSQUSN-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001403157923 1398441385 /nfs/dbraw/zinc/44/13/85/1398441385.db2.gz HCFYNLOCHUFJFK-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389926 1400565845 /nfs/dbraw/zinc/56/58/45/1400565845.db2.gz PXPIWCLVRQRYQL-CABCVRRESA-N 2 0 348.516 2.336 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001755116669 1407127202 /nfs/dbraw/zinc/12/72/02/1407127202.db2.gz SHUZSMZWDHBFBY-MJGOQNOKSA-N 2 0 329.488 2.174 20 30 EEEDRP C#CCN1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001755171079 1407182915 /nfs/dbraw/zinc/18/29/15/1407182915.db2.gz JFWGUVRCSMDZTL-LJQANCHMSA-N 2 0 327.472 2.067 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755516994 1407571854 /nfs/dbraw/zinc/57/18/54/1407571854.db2.gz RAPIURWZJKIMON-SJORKVTESA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536732 1411034569 /nfs/dbraw/zinc/03/45/69/1411034569.db2.gz FWJNWHSUPCQMFT-QZTJIDSGSA-N 2 0 331.504 2.293 20 30 EEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256944 757740188 /nfs/dbraw/zinc/74/01/88/757740188.db2.gz XFGQWXQEWLTCBO-BRWVUGGUSA-N 2 0 327.488 2.317 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491154 758072581 /nfs/dbraw/zinc/07/25/81/758072581.db2.gz HKSAAYLAUGZOHN-NSHGMRRFSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203203649 759713521 /nfs/dbraw/zinc/71/35/21/759713521.db2.gz QWHITKVHYJOSDN-DLBZAZTESA-N 2 0 331.504 2.149 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530103 782631416 /nfs/dbraw/zinc/63/14/16/782631416.db2.gz PESQVZNZHMTDJU-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966740 782661253 /nfs/dbraw/zinc/66/12/53/782661253.db2.gz SFJWPXYPLOEIDE-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC)C2)CC1 ZINC001105062327 768977612 /nfs/dbraw/zinc/97/76/12/768977612.db2.gz LZVNNXGDDKORAB-QWFCFKBJSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475878 769632811 /nfs/dbraw/zinc/63/28/11/769632811.db2.gz CCSUUUCRXCKSRO-INIZCTEOSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023111 782782736 /nfs/dbraw/zinc/78/27/36/782782736.db2.gz OWVRMDZLPAUFDP-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026534 782788250 /nfs/dbraw/zinc/78/82/50/782788250.db2.gz PIXBVIDKJSNNEI-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106453 782920661 /nfs/dbraw/zinc/92/06/61/782920661.db2.gz BBDNMWHREDCXBC-FUHIMQAGSA-N 2 0 349.494 2.003 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397018 783008298 /nfs/dbraw/zinc/00/82/98/783008298.db2.gz VWLNENQSJBGHRF-GGPKGHCWSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089646270 773682767 /nfs/dbraw/zinc/68/27/67/773682767.db2.gz NBSNHLVFJJNPQN-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734823 774812432 /nfs/dbraw/zinc/81/24/32/774812432.db2.gz YPZDTUAGMHIXPN-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCCC[NH3+])CC2)c1 ZINC000846701507 790441656 /nfs/dbraw/zinc/44/16/56/790441656.db2.gz XQGWPTPGXWXMAB-UHFFFAOYSA-N 2 0 328.460 2.158 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981220266 776833762 /nfs/dbraw/zinc/83/37/62/776833762.db2.gz AWHOBTGGMVPGGW-JKSUJKDBSA-N 2 0 339.443 2.474 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997635308 790492372 /nfs/dbraw/zinc/49/23/72/790492372.db2.gz CHGHCRDMSKJJAU-KRWDZBQOSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981836337 778310173 /nfs/dbraw/zinc/31/01/73/778310173.db2.gz BCIDYVGIAZCIMR-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137916 778345876 /nfs/dbraw/zinc/34/58/76/778345876.db2.gz PHHZVQFKTAJLQG-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292761 779577942 /nfs/dbraw/zinc/57/79/42/779577942.db2.gz WWNPPOSFRVNZID-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)CC)C[C@]2(C)C1 ZINC000982298946 779623875 /nfs/dbraw/zinc/62/38/75/779623875.db2.gz SACYNCABZHWMKJ-JYRKZWEQSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105395813 781888982 /nfs/dbraw/zinc/88/89/82/781888982.db2.gz FRNGNEZUJXWZQQ-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860819 784649214 /nfs/dbraw/zinc/64/92/14/784649214.db2.gz HYODXRBGQZRYMS-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001036126104 785828741 /nfs/dbraw/zinc/82/87/41/785828741.db2.gz DPEXVUFOWVCJPB-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036307206 786217470 /nfs/dbraw/zinc/21/74/70/786217470.db2.gz ZHLZXNCYKUASSS-GDBMZVCRSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000996711706 787235196 /nfs/dbraw/zinc/23/51/96/787235196.db2.gz KOROLKSJMWHHKV-HOTGVXAUSA-N 2 0 325.884 2.336 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171069688 788322637 /nfs/dbraw/zinc/32/26/37/788322637.db2.gz RWSDUSDCSHCTCV-IRXDYDNUSA-N 2 0 345.503 2.134 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001146610153 791373458 /nfs/dbraw/zinc/37/34/58/791373458.db2.gz IACMCRWXUBWDRV-HOTGVXAUSA-N 2 0 347.528 2.466 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672350 792089398 /nfs/dbraw/zinc/08/93/98/792089398.db2.gz MPAVXIPVEQJAKS-XLIONFOSSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001148359961 792387764 /nfs/dbraw/zinc/38/77/64/792387764.db2.gz HWBQPHOIMPDKME-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032640310 793343251 /nfs/dbraw/zinc/34/32/51/793343251.db2.gz FOHWRTTUOOSEFU-HAGHYFMRSA-N 2 0 339.483 2.193 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101453 793561539 /nfs/dbraw/zinc/56/15/39/793561539.db2.gz FGQUFEWICRVDDX-CTNGQTDRSA-N 2 0 339.483 2.165 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cccc(F)c1 ZINC001079209692 794459907 /nfs/dbraw/zinc/45/99/07/794459907.db2.gz JXNBLNFRWUMLGL-RBUKOAKNSA-N 2 0 345.462 2.382 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2N(CC(=C)Cl)CC3)CC1 ZINC000992515749 794472758 /nfs/dbraw/zinc/47/27/58/794472758.db2.gz ZSRWNNBPGIZDTI-PKOBYXMFSA-N 2 0 349.906 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093224582 794879103 /nfs/dbraw/zinc/87/91/03/794879103.db2.gz BTAPXUNZNSEDPQ-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080190941 795694633 /nfs/dbraw/zinc/69/46/33/795694633.db2.gz OOBKJPBRDDJECD-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158872 796335873 /nfs/dbraw/zinc/33/58/73/796335873.db2.gz WZJHTMSHJBMXSQ-XWSJACJDSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)CC1 ZINC001032800404 796415590 /nfs/dbraw/zinc/41/55/90/796415590.db2.gz HIJAGLVQGFVLPN-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172304902 796949728 /nfs/dbraw/zinc/94/97/28/796949728.db2.gz BDLVZLBREPTTNZ-KRWDZBQOSA-N 2 0 326.488 2.201 20 30 EEEDRP CN1CCC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991004 797201080 /nfs/dbraw/zinc/20/10/80/797201080.db2.gz TYVSBBZQFGPMLL-LTIDMASMSA-N 2 0 348.491 2.304 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200095 797291961 /nfs/dbraw/zinc/29/19/61/797291961.db2.gz QDHBGRSDDWXJDG-KZNAEPCWSA-N 2 0 337.508 2.031 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884739 797701982 /nfs/dbraw/zinc/70/19/82/797701982.db2.gz MGWJOOVQOAGUSO-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC000994492801 798090489 /nfs/dbraw/zinc/09/04/89/798090489.db2.gz BRELNFLENYIEGZ-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723777 798403977 /nfs/dbraw/zinc/40/39/77/798403977.db2.gz YACUMUGSAUOJDZ-RTBURBONSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089405946 798415238 /nfs/dbraw/zinc/41/52/38/798415238.db2.gz FLFOFSXTZPLFBF-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F)CC1 ZINC001176736847 798542360 /nfs/dbraw/zinc/54/23/60/798542360.db2.gz FUFPFZBYTBVLQX-DLBZAZTESA-N 2 0 339.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001016331712 798593641 /nfs/dbraw/zinc/59/36/41/798593641.db2.gz KTPYBXFIBJQWPJ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001176925779 798630294 /nfs/dbraw/zinc/63/02/94/798630294.db2.gz BODFCPXTQHDWMR-UHFFFAOYSA-N 2 0 341.499 2.190 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](F)C[NH+](CC)CC ZINC001177330878 798866915 /nfs/dbraw/zinc/86/69/15/798866915.db2.gz SUHSRPCXYLBRQE-GOSISDBHSA-N 2 0 339.499 2.298 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001177345060 798879391 /nfs/dbraw/zinc/87/93/91/798879391.db2.gz LBNYUAXMDBMDTL-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001178045307 799228681 /nfs/dbraw/zinc/22/86/81/799228681.db2.gz IHGIFFKLHWFLGF-HXUWFJFHSA-N 2 0 341.499 2.399 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001179976247 800194575 /nfs/dbraw/zinc/19/45/75/800194575.db2.gz LAYMPZCBFGJBOI-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)cc1 ZINC001180274860 800344400 /nfs/dbraw/zinc/34/44/00/800344400.db2.gz ZCPCOGSRGNMMKC-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085421917 800480052 /nfs/dbraw/zinc/48/00/52/800480052.db2.gz BBBJLDKBHGCPIS-IAOVAPTHSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC001184692211 802129056 /nfs/dbraw/zinc/12/90/56/802129056.db2.gz FSEQLWNBRNTASW-ROUUACIJSA-N 2 0 342.487 2.005 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184891166 802230662 /nfs/dbraw/zinc/23/06/62/802230662.db2.gz BNQQOOMDUMCHFG-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184891169 802230781 /nfs/dbraw/zinc/23/07/81/802230781.db2.gz BNQQOOMDUMCHFG-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733726 804420010 /nfs/dbraw/zinc/42/00/10/804420010.db2.gz ZEYNIIUHJAXOMH-FHWLQOOXSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCCCC=C)CC2)CC1 ZINC001113677844 809518855 /nfs/dbraw/zinc/51/88/55/809518855.db2.gz SMPQUNAMVPWNTB-UHFFFAOYSA-N 2 0 331.504 2.222 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001129410298 810827773 /nfs/dbraw/zinc/82/77/73/810827773.db2.gz IVTIVQGFZGEZFG-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130411966 811599548 /nfs/dbraw/zinc/59/95/48/811599548.db2.gz GIAUQVAMNGZEOV-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438497476 1090994293 /nfs/dbraw/zinc/99/42/93/1090994293.db2.gz KIIJVCPFZUCOOP-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438527330 1091020759 /nfs/dbraw/zinc/02/07/59/1091020759.db2.gz FUAKOTWPHATOEP-INIZCTEOSA-N 2 0 344.503 2.378 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670731 1095643141 /nfs/dbraw/zinc/64/31/41/1095643141.db2.gz FDKMGVMXHWOIDV-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442202544 1096485632 /nfs/dbraw/zinc/48/56/32/1096485632.db2.gz XLFHIYFCQXSBMO-OALUTQOASA-N 2 0 342.487 2.417 20 30 EEEDRP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001442401158 1096721901 /nfs/dbraw/zinc/72/19/01/1096721901.db2.gz KBZUYJGRXFGVCB-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001444209235 1098767599 /nfs/dbraw/zinc/76/75/99/1098767599.db2.gz MFJQDGGPWVRYOU-UHFFFAOYSA-N 2 0 335.879 2.487 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCC[NH+](C)C ZINC001446444449 1100865761 /nfs/dbraw/zinc/86/57/61/1100865761.db2.gz PCLILODEPHAPEZ-GJZGRUSLSA-N 2 0 348.516 2.431 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953644 1101650525 /nfs/dbraw/zinc/65/05/25/1101650525.db2.gz SVODNXMEYHETEP-GJZGRUSLSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001496905914 1101698845 /nfs/dbraw/zinc/69/88/45/1101698845.db2.gz ASLXPWJTNGSZCT-HZPDHXFCSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000491809145 246163384 /nfs/dbraw/zinc/16/33/84/246163384.db2.gz WZDCDKWYUVKNSM-HDICACEKSA-N 2 0 341.499 2.394 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000491744513 533105800 /nfs/dbraw/zinc/10/58/00/533105800.db2.gz JFHVRKLFLGOOAC-SFHVURJKSA-N 2 0 345.462 2.109 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000491804711 533103986 /nfs/dbraw/zinc/10/39/86/533103986.db2.gz MSXFULNNIUURRH-UHFFFAOYSA-N 2 0 348.535 2.284 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396961 781985567 /nfs/dbraw/zinc/98/55/67/781985567.db2.gz ZTOJWHVDDCQFRJ-HXUWFJFHSA-N 2 0 345.531 2.443 20 30 EEEDRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000360278649 164274664 /nfs/dbraw/zinc/27/46/64/164274664.db2.gz UOFFFBVTIUIKRF-KRWDZBQOSA-N 2 0 344.503 2.394 20 30 EEEDRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423456501 280193696 /nfs/dbraw/zinc/19/36/96/280193696.db2.gz NUQDBXBWAWSEIQ-GGPKGHCWSA-N 2 0 340.471 2.246 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000104162726 290392913 /nfs/dbraw/zinc/39/29/13/290392913.db2.gz BVQDMGYLCGFUKI-INIZCTEOSA-N 2 0 330.476 2.208 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491327842 468351362 /nfs/dbraw/zinc/35/13/62/468351362.db2.gz YGWWIMSYPMMYLY-HKUYNNGSSA-N 2 0 342.487 2.076 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150966415 463458333 /nfs/dbraw/zinc/45/83/33/463458333.db2.gz ZYYGAHZNOZKBQO-QGZVFWFLSA-N 2 0 329.488 2.375 20 30 EEEDRP CCCn1ccnc1CCC[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000277138256 463886273 /nfs/dbraw/zinc/88/62/73/463886273.db2.gz IXGYTQBZHIWDPE-MRXNPFEDSA-N 2 0 333.480 2.166 20 30 EEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262178179 463965529 /nfs/dbraw/zinc/96/55/29/463965529.db2.gz WJEYIJHRPWTRND-MRXNPFEDSA-N 2 0 335.879 2.384 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2F)C1 ZINC000290869356 464135073 /nfs/dbraw/zinc/13/50/73/464135073.db2.gz AUNAAFXONKRCAV-HZPDHXFCSA-N 2 0 347.482 2.041 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000264135497 464287282 /nfs/dbraw/zinc/28/72/82/464287282.db2.gz ZPVWDGDQKPACAG-LSDHHAIUSA-N 2 0 348.491 2.229 20 30 EEEDRP C[N@@H+]1CCN(CCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1(C)C ZINC000281800490 464590066 /nfs/dbraw/zinc/59/00/66/464590066.db2.gz OZJTZBCCGQLERN-UHFFFAOYSA-N 2 0 343.519 2.318 20 30 EEEDRP C=CCN1CC[C@@H](N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740011 464677804 /nfs/dbraw/zinc/67/78/04/464677804.db2.gz YCGNTKOGKMBZEX-CTNGQTDRSA-N 2 0 339.483 2.371 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000247588458 464696505 /nfs/dbraw/zinc/69/65/05/464696505.db2.gz JGVTVYHAEQTTMM-SJORKVTESA-N 2 0 336.524 2.447 20 30 EEEDRP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000330893382 465848419 /nfs/dbraw/zinc/84/84/19/465848419.db2.gz QUDQEUVTTDDZJP-STQMWFEESA-N 2 0 347.463 2.201 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553045 468483244 /nfs/dbraw/zinc/48/32/44/468483244.db2.gz YCOFUCARMCNXTP-OAHLLOKOSA-N 2 0 326.448 2.345 20 30 EEEDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000423377100 466732734 /nfs/dbraw/zinc/73/27/34/466732734.db2.gz DYZCFMNROVROCY-XHDPSFHLSA-N 2 0 344.356 2.184 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000417058133 466767242 /nfs/dbraw/zinc/76/72/42/466767242.db2.gz DQHGYRWONBYHDN-MSOLQXFVSA-N 2 0 336.524 2.455 20 30 EEEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784528 467436019 /nfs/dbraw/zinc/43/60/19/467436019.db2.gz IKVROHYAGBFCTO-KRWDZBQOSA-N 2 0 346.471 2.447 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600714666 468629852 /nfs/dbraw/zinc/62/98/52/468629852.db2.gz BBXROSLALKFUSN-LMMKCTJWSA-N 2 0 345.487 2.256 20 30 EEEDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000570837072 468701589 /nfs/dbraw/zinc/70/15/89/468701589.db2.gz PRLVWIGUKNJLDG-FUHWJXTLSA-N 2 0 331.460 2.152 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000669385652 471472015 /nfs/dbraw/zinc/47/20/15/471472015.db2.gz IFMMOLWDTTVWGM-KZNAEPCWSA-N 2 0 336.524 2.454 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669465270 471507179 /nfs/dbraw/zinc/50/71/79/471507179.db2.gz OSGHAXFEBWSMLP-IAGOWNOFSA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000106265840 526590570 /nfs/dbraw/zinc/59/05/70/526590570.db2.gz FOXUDXBKBBLIDB-UHFFFAOYSA-N 2 0 344.503 2.458 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227321 782173986 /nfs/dbraw/zinc/17/39/86/782173986.db2.gz GCFUHRQAUBREAE-IEBWSBKVSA-N 2 0 331.504 2.006 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365817 577291754 /nfs/dbraw/zinc/29/17/54/577291754.db2.gz UIZNYZKOOOCVLW-KRWDZBQOSA-N 2 0 329.492 2.355 20 30 EEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000760701823 577668281 /nfs/dbraw/zinc/66/82/81/577668281.db2.gz FNKASDTZORZIBH-INIZCTEOSA-N 2 0 331.460 2.302 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC000969353821 674877674 /nfs/dbraw/zinc/87/76/74/674877674.db2.gz WONGFZJAMQOZIY-GOSISDBHSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC=C)CC1 ZINC001021469392 676117533 /nfs/dbraw/zinc/11/75/33/676117533.db2.gz AWOLZFFEKJBFTR-YQQQUEKLSA-N 2 0 329.488 2.019 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000970922542 676244547 /nfs/dbraw/zinc/24/45/47/676244547.db2.gz YCNMGNSRIPJCLN-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682537 676338340 /nfs/dbraw/zinc/33/83/40/676338340.db2.gz RHAIRVWNMVYGLA-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001023514232 679352342 /nfs/dbraw/zinc/35/23/42/679352342.db2.gz JMCUOCAMJJCSKY-KRWDZBQOSA-N 2 0 336.439 2.337 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024546695 680078342 /nfs/dbraw/zinc/07/83/42/680078342.db2.gz CAHIBGDASBLAHN-QGZVFWFLSA-N 2 0 339.443 2.428 20 30 EEEDRP CC[C@@]1(C)CCN(C(NCC2([NH+]3CCCC3)CCOCC2)=[NH+]C)C1 ZINC000261831908 681643598 /nfs/dbraw/zinc/64/35/98/681643598.db2.gz VOUPBHGQFTYZLX-SFHVURJKSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605294 681782973 /nfs/dbraw/zinc/78/29/73/681782973.db2.gz KEVVVSXCRSKPBN-QRQLOZEOSA-N 2 0 328.460 2.028 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273410 682380256 /nfs/dbraw/zinc/38/02/56/682380256.db2.gz DYUPRGZHADYHDD-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011613 682670238 /nfs/dbraw/zinc/67/02/38/682670238.db2.gz AVZABJNYYCPSBD-MRXNPFEDSA-N 2 0 331.460 2.196 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC000992740457 683334637 /nfs/dbraw/zinc/33/46/37/683334637.db2.gz MRWKTGWOOADKPS-KFKAGJAMSA-N 2 0 336.439 2.106 20 30 EEEDRP CC[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCC1 ZINC000303908963 686944441 /nfs/dbraw/zinc/94/44/41/686944441.db2.gz XZIZHZQZNXSUIM-OAHLLOKOSA-N 2 0 332.448 2.449 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)CC1 ZINC000987572329 689848193 /nfs/dbraw/zinc/84/81/93/689848193.db2.gz UCPJTBHEOLGTMP-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244324 692474494 /nfs/dbraw/zinc/47/44/94/692474494.db2.gz ITVCCYRGXNHGSG-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC3CC(C)C3)CC2(C)C)CC1 ZINC000977650706 692879624 /nfs/dbraw/zinc/87/96/24/692879624.db2.gz FDSHVKJKPXZTSD-TVPLGVNVSA-N 2 0 345.531 2.204 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107029755 1192717095 /nfs/dbraw/zinc/71/70/95/1192717095.db2.gz ZDHRMHCHBMFAQQ-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001088353254 1186653753 /nfs/dbraw/zinc/65/37/53/1186653753.db2.gz UPMUORVGJPSDJK-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001088431272 1186872060 /nfs/dbraw/zinc/87/20/60/1186872060.db2.gz OFRBCZHWZXMQMW-RTBURBONSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076625928 1189053231 /nfs/dbraw/zinc/05/32/31/1189053231.db2.gz HMHGVWXIOZVICZ-DOTOQJQBSA-N 2 0 331.460 2.454 20 30 EEEDRP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCC2)CC1 ZINC001484649628 1191455263 /nfs/dbraw/zinc/45/52/63/1191455263.db2.gz OVRTUEJQBWEIJY-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819262 1194445393 /nfs/dbraw/zinc/44/53/93/1194445393.db2.gz YMVQCQJPEARULH-HCXYKTFWSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415745 1194536372 /nfs/dbraw/zinc/53/63/72/1194536372.db2.gz KGIKNIRFRBCVJV-YJBOKZPZSA-N 2 0 325.472 2.308 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115429 1195757957 /nfs/dbraw/zinc/75/79/57/1195757957.db2.gz QBFGXKRZQHEQSN-LJQANCHMSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329911 1196099244 /nfs/dbraw/zinc/09/92/44/1196099244.db2.gz JROKVQFTENNEAH-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001168755683 1196516000 /nfs/dbraw/zinc/51/60/00/1196516000.db2.gz PIPWMYLIQGNORJ-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001034734782 1196634442 /nfs/dbraw/zinc/63/44/42/1196634442.db2.gz YQKOOENRMSTOKG-IIDMSEBBSA-N 2 0 325.472 2.402 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001034973018 1196930801 /nfs/dbraw/zinc/93/08/01/1196930801.db2.gz JSBJCAHNQYRLRK-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001132737377 1199965139 /nfs/dbraw/zinc/96/51/39/1199965139.db2.gz LDXQJXNBZCPJGO-GOSISDBHSA-N 2 0 345.462 2.005 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001133092068 1200433870 /nfs/dbraw/zinc/43/38/70/1200433870.db2.gz YKMNZENADMRTTD-LPHOPBHVSA-N 2 0 342.487 2.084 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(OC)c1 ZINC000136903011 1202470915 /nfs/dbraw/zinc/47/09/15/1202470915.db2.gz ZTCRTYCUZJLLNZ-INIZCTEOSA-N 2 0 332.492 2.361 20 30 EEEDRP C#CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000886660726 1202541213 /nfs/dbraw/zinc/54/12/13/1202541213.db2.gz DXUKBZQJNUVYRS-IEBWSBKVSA-N 2 0 329.488 2.375 20 30 EEEDRP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001274964693 1205219068 /nfs/dbraw/zinc/21/90/68/1205219068.db2.gz VENHCNDXIFRPJX-QZTJIDSGSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961369497 1217161394 /nfs/dbraw/zinc/16/13/94/1217161394.db2.gz YKZGYAKIFMSGKT-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001037848577 1219487663 /nfs/dbraw/zinc/48/76/63/1219487663.db2.gz IHINVKJNMWKKPI-HOCLYGCPSA-N 2 0 333.501 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037916134 1220304453 /nfs/dbraw/zinc/30/44/53/1220304453.db2.gz AOLYXUPOWPXYCH-GDBMZVCRSA-N 2 0 327.900 2.297 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968644500 1221459459 /nfs/dbraw/zinc/45/94/59/1221459459.db2.gz ADOWIGWRQQXJQH-MOPGFXCFSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Cl)CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007493849 1222259039 /nfs/dbraw/zinc/25/90/39/1222259039.db2.gz VSYNZZZDCSVNTQ-HOTGVXAUSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277733 1222731417 /nfs/dbraw/zinc/73/14/17/1222731417.db2.gz VXPSPNKQYJQEGS-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016891935 1226949090 /nfs/dbraw/zinc/94/90/90/1226949090.db2.gz JHUHEJFPRXPVEL-MRXNPFEDSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001016989825 1227018040 /nfs/dbraw/zinc/01/80/40/1227018040.db2.gz GJEJPAKYZXWDOQ-GOSISDBHSA-N 2 0 343.471 2.339 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018836457 1228444527 /nfs/dbraw/zinc/44/45/27/1228444527.db2.gz ADOWIGWRQQXJQH-RBUKOAKNSA-N 2 0 340.471 2.122 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018837514 1228444871 /nfs/dbraw/zinc/44/48/71/1228444871.db2.gz PAWBCYBSQPFQOM-YOEHRIQHSA-N 2 0 346.500 2.183 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039152407 1230371721 /nfs/dbraw/zinc/37/17/21/1230371721.db2.gz YTTKCCSFJCWUMH-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163393 1230384851 /nfs/dbraw/zinc/38/48/51/1230384851.db2.gz BQXKYRZGNPXVCR-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039165699 1230386841 /nfs/dbraw/zinc/38/68/41/1230386841.db2.gz RIPGKOLOBGYCBZ-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180494 1230407328 /nfs/dbraw/zinc/40/73/28/1230407328.db2.gz QYFARKAKPGHTIF-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040848208 1231387005 /nfs/dbraw/zinc/38/70/05/1231387005.db2.gz FVXPQOHNELNKRZ-GDBMZVCRSA-N 2 0 339.911 2.251 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432792 1231544771 /nfs/dbraw/zinc/54/47/71/1231544771.db2.gz SRAJXUGOTARQJL-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677996 1231647256 /nfs/dbraw/zinc/64/72/56/1231647256.db2.gz FGDASGGGOCKTIJ-WOJBJXKFSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938827 1234193923 /nfs/dbraw/zinc/19/39/23/1234193923.db2.gz MARMCTWJOBAXML-QWFCFKBJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001045973512 1234258234 /nfs/dbraw/zinc/25/82/34/1234258234.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 0 330.476 2.479 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046941763 1235334328 /nfs/dbraw/zinc/33/43/28/1235334328.db2.gz PZZXHYGRMNKLGK-HRCADAONSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047243972 1235735723 /nfs/dbraw/zinc/73/57/23/1235735723.db2.gz OILOQUFJGSJRES-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000027512 1239832355 /nfs/dbraw/zinc/83/23/55/1239832355.db2.gz QJUKWWFUXXBLRP-AWEZNQCLSA-N 2 0 325.840 2.288 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)CC1 ZINC001000173743 1240024405 /nfs/dbraw/zinc/02/44/05/1240024405.db2.gz IUJHFLUPWIJDRF-SFHVURJKSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166071 1240166249 /nfs/dbraw/zinc/16/62/49/1240166249.db2.gz NAASJDZBUSJVAW-FUHIMQAGSA-N 2 0 327.472 2.040 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000777806 1240921463 /nfs/dbraw/zinc/92/14/63/1240921463.db2.gz QJVIHEGYDBFRKC-LJQANCHMSA-N 2 0 329.488 2.165 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049719910 1241987354 /nfs/dbraw/zinc/98/73/54/1241987354.db2.gz PINVTAFRDWZQJO-FCEWJHQRSA-N 2 0 337.483 2.450 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050164908 1243022601 /nfs/dbraw/zinc/02/26/01/1243022601.db2.gz ONYZAFPYKSWKPE-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cncc4C3)C2)CC1 ZINC001050568710 1243859416 /nfs/dbraw/zinc/85/94/16/1243859416.db2.gz ZGGUJGNKCUDLFH-HNNXBMFYSA-N 2 0 348.878 2.122 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3C)cccc2C1 ZINC001051283881 1245476649 /nfs/dbraw/zinc/47/66/49/1245476649.db2.gz PZBQHBPCBHGJLF-LJQANCHMSA-N 2 0 327.472 2.331 20 30 EEEDRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001052937639 1245514969 /nfs/dbraw/zinc/51/49/69/1245514969.db2.gz MQWPOIOLYNCUFP-FQEVSTJZSA-N 2 0 339.483 2.105 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001053106121 1245922822 /nfs/dbraw/zinc/92/28/22/1245922822.db2.gz SGYVWRXPEKUNOV-MJGOQNOKSA-N 2 0 342.487 2.377 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054239724 1247830483 /nfs/dbraw/zinc/83/04/83/1247830483.db2.gz KQTMARIRGOTCHZ-DOTOQJQBSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270542 1247958052 /nfs/dbraw/zinc/95/80/52/1247958052.db2.gz RPAVQRYPMFDWTP-IBGZPJMESA-N 2 0 325.456 2.126 20 30 EEEDRP C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072849327 1255431003 /nfs/dbraw/zinc/43/10/03/1255431003.db2.gz ACSOZNAEIYSYJK-CVEARBPZSA-N 2 0 337.895 2.290 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C(F)(F)F ZINC001099327505 1258082008 /nfs/dbraw/zinc/08/20/08/1258082008.db2.gz POXDOQHJWGOXFC-HUUCEWRRSA-N 2 0 347.425 2.272 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099583407 1258227363 /nfs/dbraw/zinc/22/73/63/1258227363.db2.gz QVPRUURFGIXETN-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001100859783 1259358501 /nfs/dbraw/zinc/35/85/01/1259358501.db2.gz BYNAHVYJIYWZDD-KVZIAJEVSA-N 2 0 327.472 2.187 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC(C)C)[C@@H](C)C2)CC1 ZINC001185730901 1278767397 /nfs/dbraw/zinc/76/73/97/1278767397.db2.gz ORTCQHONWVBTNR-PKOBYXMFSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC=C)C2)CC1 ZINC001188091297 1279761637 /nfs/dbraw/zinc/76/16/37/1279761637.db2.gz KQQRHDAKZNARDG-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174216 1280720766 /nfs/dbraw/zinc/72/07/66/1280720766.db2.gz DIGUWNKDQBTCEL-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001201321166 1289476339 /nfs/dbraw/zinc/47/63/39/1289476339.db2.gz GGWPJDXBFSCMIV-UHFFFAOYSA-N 2 0 341.499 2.349 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896578 1294981114 /nfs/dbraw/zinc/98/11/14/1294981114.db2.gz GZULWXRERFFDEC-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738232 1296086160 /nfs/dbraw/zinc/08/61/60/1296086160.db2.gz LCTZSRQZGJVGDG-QGZVFWFLSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850343 1296620095 /nfs/dbraw/zinc/62/00/95/1296620095.db2.gz SWRXIFPOOAXJCI-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001219818832 1298155475 /nfs/dbraw/zinc/15/54/75/1298155475.db2.gz PRAKULTWMXHHBF-GGPKGHCWSA-N 2 0 334.423 2.168 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001099548722 1299209334 /nfs/dbraw/zinc/20/93/34/1299209334.db2.gz ZOLGIRXGQWLOGM-OKYOBFRVSA-N 2 0 343.515 2.217 20 30 EEEDRP C#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)c1 ZINC001222135798 1299377777 /nfs/dbraw/zinc/37/77/77/1299377777.db2.gz ICXOKGNHQMSADX-ICSRJNTNSA-N 2 0 326.440 2.033 20 30 EEEDRP C#CCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978754 1300635028 /nfs/dbraw/zinc/63/50/28/1300635028.db2.gz RBWLCSMPIYSZPC-UYAOXDASSA-N 2 0 331.504 2.102 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001225228159 1300934736 /nfs/dbraw/zinc/93/47/36/1300934736.db2.gz GGECXVOZUXLQRG-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC001227473717 1301841513 /nfs/dbraw/zinc/84/15/13/1301841513.db2.gz AITWCGPCLJOCQR-GOSISDBHSA-N 2 0 345.491 2.337 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993605 1302039409 /nfs/dbraw/zinc/03/94/09/1302039409.db2.gz CGODKBOIOTUJDA-QRQLOZEOSA-N 2 0 333.520 2.369 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001229860675 1302968549 /nfs/dbraw/zinc/96/85/49/1302968549.db2.gz YVOKWNSHGGHEEY-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846836 1303498887 /nfs/dbraw/zinc/49/88/87/1303498887.db2.gz YOTNULVXAWTFQW-GOSISDBHSA-N 2 0 344.503 2.308 20 30 EEEDRP C#CCNC(=O)C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000691868161 1303806996 /nfs/dbraw/zinc/80/69/96/1303806996.db2.gz LNQZAGPSZQVJCL-UHFFFAOYSA-N 2 0 339.483 2.114 20 30 EEEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)c1 ZINC001235995203 1305470912 /nfs/dbraw/zinc/47/09/12/1305470912.db2.gz QPYHHEJSUFVREF-UFRUDQCGSA-N 2 0 334.423 2.026 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120430920 1309533094 /nfs/dbraw/zinc/53/30/94/1309533094.db2.gz OJGPFMIGXUWYHC-MSOLQXFVSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121595833 1310064279 /nfs/dbraw/zinc/06/42/79/1310064279.db2.gz YQJXXCWXGWEFMV-INIZCTEOSA-N 2 0 346.523 2.240 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2ccccc2F)CCN1 ZINC001246445976 1310313491 /nfs/dbraw/zinc/31/34/91/1310313491.db2.gz AWPSALRQIKSOQD-GJYPPUQNSA-N 2 0 330.451 2.490 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)CCC[NH+](C)C)CC1 ZINC001151275590 1316493828 /nfs/dbraw/zinc/49/38/28/1316493828.db2.gz SEZJKKQLTIXQMN-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152445584 1316672067 /nfs/dbraw/zinc/67/20/67/1316672067.db2.gz KALOOPSXVILNKO-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152451819 1316673016 /nfs/dbraw/zinc/67/30/16/1316673016.db2.gz IMEPKEMYJHCTHT-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023465 1317423603 /nfs/dbraw/zinc/42/36/03/1317423603.db2.gz HAXVMFDCUYDIGW-CQSZACIVSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576722 1317885091 /nfs/dbraw/zinc/88/50/91/1317885091.db2.gz HEMUMNSFFDYSPK-RBUKOAKNSA-N 2 0 330.472 2.289 20 30 EEEDRP C[N@H+](CCO)CCC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254351779 1318049163 /nfs/dbraw/zinc/04/91/63/1318049163.db2.gz SZPMADVPUDVYGF-UHFFFAOYSA-N 2 0 333.451 2.433 20 30 EEEDRP CCOC(=O)C1(C#N)CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256861724 1318878017 /nfs/dbraw/zinc/87/80/17/1318878017.db2.gz BBWXUQKYTQADMK-UHFFFAOYSA-N 2 0 342.443 2.219 20 30 EEEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865831 1318881917 /nfs/dbraw/zinc/88/19/17/1318881917.db2.gz YYPVZUWYKRLCIS-INIZCTEOSA-N 2 0 344.459 2.427 20 30 EEEDRP N#CC1CCC([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001256959564 1318905618 /nfs/dbraw/zinc/90/56/18/1318905618.db2.gz LEVCDTYQPPWYCO-UHFFFAOYSA-N 2 0 332.492 2.135 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001159328208 1319741201 /nfs/dbraw/zinc/74/12/01/1319741201.db2.gz QTKCYICWJQSKQJ-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159908245 1320017136 /nfs/dbraw/zinc/01/71/36/1320017136.db2.gz HPVBIONDOFJEIX-HXUWFJFHSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855952 1320293395 /nfs/dbraw/zinc/29/33/95/1320293395.db2.gz DORJUXPEKNAMTG-UHFFFAOYSA-N 2 0 349.519 2.202 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160869686 1320298384 /nfs/dbraw/zinc/29/83/84/1320298384.db2.gz RKQKIKPIIUIDMD-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC001161947106 1320688936 /nfs/dbraw/zinc/68/89/36/1320688936.db2.gz YFQBRARGSMQOTP-KRWDZBQOSA-N 2 0 349.494 2.218 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001162929461 1320990804 /nfs/dbraw/zinc/99/08/04/1320990804.db2.gz YQAJOYCSGWZXHB-QUCCMNQESA-N 2 0 343.515 2.421 20 30 EEEDRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001165246907 1321482678 /nfs/dbraw/zinc/48/26/78/1321482678.db2.gz VZVQUYNUPMEVSX-UHFFFAOYSA-N 2 0 340.427 2.123 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556998 1321911887 /nfs/dbraw/zinc/91/18/87/1321911887.db2.gz MPWAMLQWRFRPDC-ZWKOTPCHSA-N 2 0 331.504 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]C/C=C/Cl)C23CCC3)CC1 ZINC001203773659 1321958302 /nfs/dbraw/zinc/95/83/02/1321958302.db2.gz WDADVJAGSILCKV-MWXKITEQSA-N 2 0 349.906 2.101 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)Cc2ccccc2)C12CCC2 ZINC001203813288 1321965394 /nfs/dbraw/zinc/96/53/94/1321965394.db2.gz CASIOQZPANLYNX-OALUTQOASA-N 2 0 339.483 2.159 20 30 EEEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cc2)c1 ZINC001205221419 1322318531 /nfs/dbraw/zinc/31/85/31/1322318531.db2.gz UQIULIYRNPOHDR-FQEVSTJZSA-N 2 0 336.439 2.296 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001209322908 1324901859 /nfs/dbraw/zinc/90/18/59/1324901859.db2.gz BIXZXHCVLLAJRS-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001209323473 1324901921 /nfs/dbraw/zinc/90/19/21/1324901921.db2.gz IPWUDEDFXQTRBV-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210217724 1325204254 /nfs/dbraw/zinc/20/42/54/1325204254.db2.gz MBWZAHOCQKQFQG-LJQANCHMSA-N 2 0 345.462 2.100 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643939 1325364423 /nfs/dbraw/zinc/36/44/23/1325364423.db2.gz MGSWHVCLCBLLSG-RBUKOAKNSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001339094717 1336958423 /nfs/dbraw/zinc/95/84/23/1336958423.db2.gz HVRYPRDDTMITMQ-UHFFFAOYSA-N 2 0 346.523 2.194 20 30 EEEDRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001388679716 1387638533 /nfs/dbraw/zinc/63/85/33/1387638533.db2.gz ANWTYYPFMYZWBP-UWWQBHOKSA-N 2 0 346.450 2.022 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001117781636 1371762045 /nfs/dbraw/zinc/76/20/45/1371762045.db2.gz IXNCTTQQOHKKBH-HXUWFJFHSA-N 2 0 341.499 2.421 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001393637644 1390505929 /nfs/dbraw/zinc/50/59/29/1390505929.db2.gz UKXZENUYJOLWAK-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001752894651 1406524095 /nfs/dbraw/zinc/52/40/95/1406524095.db2.gz KSKNIYLTTODOAG-BQFCYCMXSA-N 2 0 345.462 2.002 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001399374743 1395020522 /nfs/dbraw/zinc/02/05/22/1395020522.db2.gz KPMVIXYDWYKCGT-CZUORRHYSA-N 2 0 336.505 2.190 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001401113092 1396947032 /nfs/dbraw/zinc/94/70/32/1396947032.db2.gz CQNMRFKEBUBWDD-CZUORRHYSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001402400939 1397978974 /nfs/dbraw/zinc/97/89/74/1397978974.db2.gz QWPZDSPBXQOWNY-OAHLLOKOSA-N 2 0 338.883 2.276 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001754945190 1407005428 /nfs/dbraw/zinc/00/54/28/1407005428.db2.gz SNHODPOMMDHRQF-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001755010489 1407030776 /nfs/dbraw/zinc/03/07/76/1407030776.db2.gz FJAMHMNGIOJFDT-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001755062921 1407072192 /nfs/dbraw/zinc/07/21/92/1407072192.db2.gz HNLZPUCAXCPWEF-SJORKVTESA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(C)CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC001755099153 1407111460 /nfs/dbraw/zinc/11/14/60/1407111460.db2.gz STJGTSLNWFHXIU-UHFFFAOYSA-N 2 0 339.524 2.186 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001423423956 1400574651 /nfs/dbraw/zinc/57/46/51/1400574651.db2.gz ZWMPVQGDJOEUOM-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755284891 1407292893 /nfs/dbraw/zinc/29/28/93/1407292893.db2.gz FUNDFLDFOWLFAA-IBGZPJMESA-N 2 0 339.499 2.296 20 30 EEEDRP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733010280 1405986466 /nfs/dbraw/zinc/98/64/66/1405986466.db2.gz UCOCNHOWIBXVDC-YJBOKZPZSA-N 2 0 347.890 2.270 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C(C)(C)C ZINC001755840007 1407888680 /nfs/dbraw/zinc/88/86/80/1407888680.db2.gz PYIGCRNGTFLOQC-QGZVFWFLSA-N 2 0 333.476 2.489 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001755840037 1407889912 /nfs/dbraw/zinc/88/99/12/1407889912.db2.gz QJADWCSNUPZQRP-LJQANCHMSA-N 2 0 343.515 2.499 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397124 1410895953 /nfs/dbraw/zinc/89/59/53/1410895953.db2.gz TXQTXCQGNLUVFY-DYXWJJEUSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001112449707 1410927720 /nfs/dbraw/zinc/92/77/20/1410927720.db2.gz UAAVXXUOXXGYDV-PXNSSMCTSA-N 2 0 336.439 2.190 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839476 782350462 /nfs/dbraw/zinc/35/04/62/782350462.db2.gz CZUGDJWQQAMIDO-RBUKOAKNSA-N 2 0 327.472 2.354 20 30 EEEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001167261071 757594048 /nfs/dbraw/zinc/59/40/48/757594048.db2.gz VQDYQQNQXMKLOG-SFHVURJKSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001075397619 757999133 /nfs/dbraw/zinc/99/91/33/757999133.db2.gz PKAQIRRVINMHMZ-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001112496480 758256664 /nfs/dbraw/zinc/25/66/64/758256664.db2.gz YSJKMEOEADRIOZ-ICSRJNTNSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378936 759945980 /nfs/dbraw/zinc/94/59/80/759945980.db2.gz NWTJEUJZRLGFGK-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001167608783 760722758 /nfs/dbraw/zinc/72/27/58/760722758.db2.gz IPEWFMQHXHQMRP-OAHLLOKOSA-N 2 0 348.516 2.480 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564545 770408536 /nfs/dbraw/zinc/40/85/36/770408536.db2.gz BQPBBKNTETVETB-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979999345 773688798 /nfs/dbraw/zinc/68/87/98/773688798.db2.gz JBRDFBLJQDSNOK-FHWLQOOXSA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138966 773928615 /nfs/dbraw/zinc/92/86/15/773928615.db2.gz IEDJFCXNNLKGFE-BZSNNMDCSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181572 774015303 /nfs/dbraw/zinc/01/53/03/774015303.db2.gz FAYMQCJHRIXKFS-SLFFLAALSA-N 2 0 339.483 2.212 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981600238 777779756 /nfs/dbraw/zinc/77/97/56/777779756.db2.gz UYQWVKZGHBRVRB-UHFFFAOYSA-N 2 0 339.443 2.381 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087442217 780132512 /nfs/dbraw/zinc/13/25/12/780132512.db2.gz YJOAPRUQOALNBT-RTBURBONSA-N 2 0 339.483 2.243 20 30 EEEDRP C[N@H+](CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1)C1CCCCC1 ZINC001131815794 783300772 /nfs/dbraw/zinc/30/07/72/783300772.db2.gz UHOQARNZRMCFFK-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327208 783517050 /nfs/dbraw/zinc/51/70/50/783517050.db2.gz IALYCZZPQRARGC-JKSUJKDBSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001035036323 783590257 /nfs/dbraw/zinc/59/02/57/783590257.db2.gz LBQWOWBYEWIDJC-OAHLLOKOSA-N 2 0 346.500 2.042 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481536 783837865 /nfs/dbraw/zinc/83/78/65/783837865.db2.gz VHZXRYAGLIFTRM-HZPDHXFCSA-N 2 0 327.513 2.040 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997748999 790978439 /nfs/dbraw/zinc/97/84/39/790978439.db2.gz UAGZHBUXAQUEMA-KRWDZBQOSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035201234 784042425 /nfs/dbraw/zinc/04/24/25/784042425.db2.gz SQUHDSBFHIVLGL-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035227372 784115303 /nfs/dbraw/zinc/11/53/03/784115303.db2.gz PXYBTCZXYWQKLP-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212742 784131700 /nfs/dbraw/zinc/13/17/00/784131700.db2.gz NIAKUMDSCCZLHR-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260363 784215539 /nfs/dbraw/zinc/21/55/39/784215539.db2.gz UUKWQBZIYYFLQF-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135743249 784351646 /nfs/dbraw/zinc/35/16/46/784351646.db2.gz HMDVPDUQEKUIDX-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857666 784640195 /nfs/dbraw/zinc/64/01/95/784640195.db2.gz MDMGRSHQYIDXPU-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977547 784927692 /nfs/dbraw/zinc/92/76/92/784927692.db2.gz VGSBEQUKPZDCEB-UONOGXRCSA-N 2 0 336.505 2.334 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035737247 785047752 /nfs/dbraw/zinc/04/77/52/785047752.db2.gz WDZOBYBONAATHL-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035835707 785256873 /nfs/dbraw/zinc/25/68/73/785256873.db2.gz ANVKQNMUVDDPDM-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819011221 785363099 /nfs/dbraw/zinc/36/30/99/785363099.db2.gz MOJPXGHPDUTHLO-FQEVSTJZSA-N 2 0 339.439 2.322 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001036312646 786187983 /nfs/dbraw/zinc/18/79/83/786187983.db2.gz QKXJKEJXSUMHQL-WBVHZDCISA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000996980665 788325469 /nfs/dbraw/zinc/32/54/69/788325469.db2.gz ZCJKSAKNQLOPBT-CQSZACIVSA-N 2 0 346.313 2.062 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136375 789061566 /nfs/dbraw/zinc/06/15/66/789061566.db2.gz DXBWJAXFWLESSM-VQIMIIECSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997279920 789551373 /nfs/dbraw/zinc/55/13/73/789551373.db2.gz QMRXNSYKCSUNPC-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001171162380 789577819 /nfs/dbraw/zinc/57/78/19/789577819.db2.gz WLGHEVNNESKXHJ-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)N(C)C)CC[C@@H]2C1 ZINC000946904960 789622888 /nfs/dbraw/zinc/62/28/88/789622888.db2.gz VITBOXQGPILKIY-ZCNNSNEGSA-N 2 0 339.483 2.093 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701851 791415223 /nfs/dbraw/zinc/41/52/23/791415223.db2.gz QXSYNYQMQYWNCJ-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099904 791954105 /nfs/dbraw/zinc/95/41/05/791954105.db2.gz VBYLMPKBBBBRCP-GBESFXJTSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330042 792351840 /nfs/dbraw/zinc/35/18/40/792351840.db2.gz RCGCRQXTRKQCEA-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998304196 792513649 /nfs/dbraw/zinc/51/36/49/792513649.db2.gz MSKNFCPKCSJPDK-GJZGRUSLSA-N 2 0 347.425 2.273 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738096 792599390 /nfs/dbraw/zinc/59/93/90/792599390.db2.gz QBVNEDSHGCDPOM-LMNJBCLMSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001086953291 793089876 /nfs/dbraw/zinc/08/98/76/793089876.db2.gz CUQSKHWWCHFJDL-QGZVFWFLSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992301039 793575247 /nfs/dbraw/zinc/57/52/47/793575247.db2.gz NRCUJEDDNUHPQJ-NLWGTHIKSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000999390237 794402423 /nfs/dbraw/zinc/40/24/23/794402423.db2.gz FNOVETFOJOFSIV-PMACEKPBSA-N 2 0 339.483 2.173 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976750 795126198 /nfs/dbraw/zinc/12/61/98/795126198.db2.gz ZTHJMJJXLGAIBX-CVEARBPZSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093384030 795127985 /nfs/dbraw/zinc/12/79/85/795127985.db2.gz SZEQBDDMSPYHCT-IBGZPJMESA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089960121 795619074 /nfs/dbraw/zinc/61/90/74/795619074.db2.gz YOKNQPCOCGRIEV-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672482 796085602 /nfs/dbraw/zinc/08/56/02/796085602.db2.gz YNPLFGLYRPYBHA-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172131322 796879609 /nfs/dbraw/zinc/87/96/09/796879609.db2.gz WFMMWYXXPQIGJC-AERCQKQUSA-N 2 0 346.563 2.293 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001082557024 797587920 /nfs/dbraw/zinc/58/79/20/797587920.db2.gz LXXAXNIWAVPDCP-FVQBIDKESA-N 2 0 327.900 2.153 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+](C)C ZINC001175049292 797977885 /nfs/dbraw/zinc/97/78/85/797977885.db2.gz SJNMOJQSCGRTDU-OAHLLOKOSA-N 2 0 348.466 2.414 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817865 798169267 /nfs/dbraw/zinc/16/92/67/798169267.db2.gz WGCRTEMFFGRAMQ-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111027 798353629 /nfs/dbraw/zinc/35/36/29/798353629.db2.gz DVYZQSUFFMRNJK-YLJYHZDGSA-N 2 0 329.488 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC3CCCCCC3)C2)CC1 ZINC001031435083 798402763 /nfs/dbraw/zinc/40/27/63/798402763.db2.gz PJQGWIJTYUWUON-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574943 798502788 /nfs/dbraw/zinc/50/27/88/798502788.db2.gz WUYSQYYEUURXFP-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176844207 798586672 /nfs/dbraw/zinc/58/66/72/798586672.db2.gz GJHSVGJNLCMWBR-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176930317 798633522 /nfs/dbraw/zinc/63/35/22/798633522.db2.gz GHCVHWJIHNKOGD-UHFFFAOYSA-N 2 0 327.472 2.010 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178467924 799489109 /nfs/dbraw/zinc/48/91/09/799489109.db2.gz LFADSRNHMNWQMT-GOSISDBHSA-N 2 0 339.524 2.328 20 30 EEEDRP C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001003483674 799734254 /nfs/dbraw/zinc/73/42/54/799734254.db2.gz SXZOCDYAQOPCKD-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035792 800236449 /nfs/dbraw/zinc/23/64/49/800236449.db2.gz RYWMIZJFVRXFSA-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781867 801244753 /nfs/dbraw/zinc/24/47/53/801244753.db2.gz HHLMMHZJHRZKMQ-RTBURBONSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001182897183 801391295 /nfs/dbraw/zinc/39/12/95/801391295.db2.gz PELSZWBRHQKLOB-OXQOHEQNSA-N 2 0 327.472 2.069 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001183773689 801730215 /nfs/dbraw/zinc/73/02/15/801730215.db2.gz SPAFVYNNNBKTNM-MRXNPFEDSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363135 804495513 /nfs/dbraw/zinc/49/55/13/804495513.db2.gz GBCCMVWOLUOUIE-SFHVURJKSA-N 2 0 337.508 2.082 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001108796255 804518268 /nfs/dbraw/zinc/51/82/68/804518268.db2.gz IGOBTWVARXVANW-SXLOBPIMSA-N 2 0 343.515 2.101 20 30 EEEDRP CCOC(=O)C1=C(Nc2ccc([NH+]=CN(C)C)c(C#N)c2)CC[NH2+]C1 ZINC001170521306 812173594 /nfs/dbraw/zinc/17/35/94/812173594.db2.gz UIUISCDHLMMGME-CIAFOILYSA-N 2 0 341.415 2.002 20 30 EEEDRP N#Cc1ccnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170523848 812220851 /nfs/dbraw/zinc/22/08/51/812220851.db2.gz FVAPTVGNYIHNCO-UHFFFAOYSA-N 2 0 346.438 2.258 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001437938239 1090530883 /nfs/dbraw/zinc/53/08/83/1090530883.db2.gz CWAKDFRRSQRLBH-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001438586062 1091072878 /nfs/dbraw/zinc/07/28/78/1091072878.db2.gz BQNXFHHAKGUEGY-INIZCTEOSA-N 2 0 346.500 2.233 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001439181421 1091827993 /nfs/dbraw/zinc/82/79/93/1091827993.db2.gz DWKYXNBOROTYJH-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001446495481 1100939077 /nfs/dbraw/zinc/93/90/77/1100939077.db2.gz MYHJICXSOUWWRE-MRXNPFEDSA-N 2 0 327.900 2.345 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498382562 1107426449 /nfs/dbraw/zinc/42/64/49/1107426449.db2.gz WNYJNFWLBNNQSI-INIZCTEOSA-N 2 0 344.503 2.473 20 30 EEEDRP C[NH+](C)C1(C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)CCC1 ZINC001501962104 1113538128 /nfs/dbraw/zinc/53/81/28/1113538128.db2.gz RFQLOYSCIRUFKQ-UHFFFAOYSA-N 2 0 346.500 2.233 20 30 EEEDRP CC(C)(C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000566125675 319248652 /nfs/dbraw/zinc/24/86/52/319248652.db2.gz UEICJPGWYVINIG-KRWDZBQOSA-N 2 0 331.460 2.010 20 30 EEEDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000579582275 468379241 /nfs/dbraw/zinc/37/92/41/468379241.db2.gz SYNNVEQUFPDDBA-SJLPKXTDSA-N 2 0 331.460 2.010 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186579352 464026555 /nfs/dbraw/zinc/02/65/55/464026555.db2.gz IAKYMXABUOCFIK-QZTJIDSGSA-N 2 0 329.488 2.375 20 30 EEEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000264079288 464281078 /nfs/dbraw/zinc/28/10/78/464281078.db2.gz IDFUWOKMRASMEM-GASCZTMLSA-N 2 0 330.476 2.401 20 30 EEEDRP C=CCNC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383419 464544032 /nfs/dbraw/zinc/54/40/32/464544032.db2.gz BOYWIDWPIWJJEO-PXNSSMCTSA-N 2 0 327.472 2.275 20 30 EEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000581602854 468496065 /nfs/dbraw/zinc/49/60/65/468496065.db2.gz WHQOJXQQDXONGB-SFHVURJKSA-N 2 0 345.487 2.345 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)C(C)C ZINC000417066637 466769369 /nfs/dbraw/zinc/76/93/69/466769369.db2.gz QUWQQXLTHBKIEC-KRWDZBQOSA-N 2 0 336.524 2.374 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417541427 466880100 /nfs/dbraw/zinc/88/01/00/466880100.db2.gz RHKYSKKMPLVKPA-GOSISDBHSA-N 2 0 348.535 2.447 20 30 EEEDRP CC[N@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1)C1CC1 ZINC000518818122 468128474 /nfs/dbraw/zinc/12/84/74/468128474.db2.gz YTWWHZSNTJGFKT-UHFFFAOYSA-N 2 0 340.471 2.389 20 30 EEEDRP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1)C1CC1 ZINC000569852206 468553060 /nfs/dbraw/zinc/55/30/60/468553060.db2.gz MNSSEIUMUIEEFM-LJQANCHMSA-N 2 0 328.460 2.245 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000573383083 469120757 /nfs/dbraw/zinc/12/07/57/469120757.db2.gz GRTHAKVPQBFLGK-ZWKOTPCHSA-N 2 0 347.890 2.410 20 30 EEEDRP C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426623 469392931 /nfs/dbraw/zinc/39/29/31/469392931.db2.gz CDLUEDHIIRMEGN-PXNSSMCTSA-N 2 0 342.487 2.005 20 30 EEEDRP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114677 674585231 /nfs/dbraw/zinc/58/52/31/674585231.db2.gz KFLIUTSYECUEOB-HNNXBMFYSA-N 2 0 325.884 2.196 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCC=C)CC[C@H]32)CC1 ZINC001021738670 676396906 /nfs/dbraw/zinc/39/69/06/676396906.db2.gz CNTWMWNLNNDCCI-WOJBJXKFSA-N 2 0 343.515 2.221 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022166097 676713333 /nfs/dbraw/zinc/71/33/33/676713333.db2.gz KNWHXCPDDLCTIB-CEXWTWQISA-N 2 0 340.471 2.169 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001022437011 676901189 /nfs/dbraw/zinc/90/11/89/676901189.db2.gz TVJFVKLKZSBSSE-HDICACEKSA-N 2 0 345.406 2.257 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982834428 681356909 /nfs/dbraw/zinc/35/69/09/681356909.db2.gz ZLEJJTMSTLUWCH-NRSPTQNISA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553856 681636015 /nfs/dbraw/zinc/63/60/15/681636015.db2.gz RBCFHUOYKBYVPI-LFGUQSLTSA-N 2 0 333.520 2.321 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605296 681782500 /nfs/dbraw/zinc/78/25/00/681782500.db2.gz KEVVVSXCRSKPBN-YTQUADARSA-N 2 0 328.460 2.028 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245965 682313990 /nfs/dbraw/zinc/31/39/90/682313990.db2.gz AUJSIEIPTDVVBF-RBUKOAKNSA-N 2 0 343.515 2.484 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253981 682342904 /nfs/dbraw/zinc/34/29/04/682342904.db2.gz YSUKLSGYKQGDKA-RTBURBONSA-N 2 0 336.439 2.427 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586110 683044017 /nfs/dbraw/zinc/04/40/17/683044017.db2.gz WECKVEHDDLOKNA-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591385 683061383 /nfs/dbraw/zinc/06/13/83/683061383.db2.gz BCAUKNSAUALRNC-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000992756475 683394016 /nfs/dbraw/zinc/39/40/16/683394016.db2.gz MWLAFOAMQFUGKW-KZNAEPCWSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978634617 693750251 /nfs/dbraw/zinc/75/02/51/693750251.db2.gz HEVYVYHXFUHQPJ-HAGHYFMRSA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974660822 685170396 /nfs/dbraw/zinc/17/03/96/685170396.db2.gz DONFEMRWVMJCKY-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)CC)CC1 ZINC001029596277 686466087 /nfs/dbraw/zinc/46/60/87/686466087.db2.gz HRVZGFRFMOVUOK-QRQLOZEOSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991016226 694192320 /nfs/dbraw/zinc/19/23/20/694192320.db2.gz FPNSURIIAWVYGE-NLWGTHIKSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001421764988 1181490042 /nfs/dbraw/zinc/49/00/42/1181490042.db2.gz CYLGLDHQYCGITP-TZMCWYRMSA-N 2 0 346.313 2.111 20 30 EEEDRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085308 1183313840 /nfs/dbraw/zinc/31/38/40/1183313840.db2.gz OFNRHLNKYMAIMM-CRAIPNDOSA-N 2 0 347.890 2.128 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)C[C@@H]2C)CC1 ZINC000945179425 1193415044 /nfs/dbraw/zinc/41/50/44/1193415044.db2.gz IVHBEEJNZSQQTR-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579247 1188194687 /nfs/dbraw/zinc/19/46/87/1188194687.db2.gz NBWBVNKWWHNHSP-GOSISDBHSA-N 2 0 333.520 2.491 20 30 EEEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001272887373 1193592545 /nfs/dbraw/zinc/59/25/45/1193592545.db2.gz CQZVHLGXYFLEAB-HXUWFJFHSA-N 2 0 346.519 2.337 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001486475229 1193988697 /nfs/dbraw/zinc/98/86/97/1193988697.db2.gz FNUPXJUZMJEZKR-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001034492066 1196281614 /nfs/dbraw/zinc/28/16/14/1196281614.db2.gz LKDZBUVCDYTXBO-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537712 1196358103 /nfs/dbraw/zinc/35/81/03/1196358103.db2.gz NRYNYIKLIDSJLE-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001034537808 1196359444 /nfs/dbraw/zinc/35/94/44/1196359444.db2.gz DLKDACXMBXTANU-ROUUACIJSA-N 2 0 337.483 2.050 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648249 1196462949 /nfs/dbraw/zinc/46/29/49/1196462949.db2.gz HKHYFEOEDHURCH-SFHVURJKSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649418 1196468973 /nfs/dbraw/zinc/46/89/73/1196468973.db2.gz VUGVVVFNWUWPEF-JYJNAYRXSA-N 2 0 325.884 2.098 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001034964251 1196945469 /nfs/dbraw/zinc/94/54/69/1196945469.db2.gz DZNIJOCEVLYVQQ-PBHICJAKSA-N 2 0 348.516 2.287 20 30 EEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406511 1199664567 /nfs/dbraw/zinc/66/45/67/1199664567.db2.gz KIRAZUWGPMIKMO-DLBZAZTESA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC=C)C2)CC1 ZINC001132517646 1199801092 /nfs/dbraw/zinc/80/10/92/1199801092.db2.gz GFAOSCIKYVGTMP-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001133410715 1200879080 /nfs/dbraw/zinc/87/90/80/1200879080.db2.gz WZXCMVYXDOKNBY-UHFFFAOYSA-N 2 0 347.890 2.377 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001095556561 1205873316 /nfs/dbraw/zinc/87/33/16/1205873316.db2.gz ZEYWGVRZYKTCGB-XWSJACJDSA-N 2 0 343.515 2.242 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000303869971 1213916178 /nfs/dbraw/zinc/91/61/78/1213916178.db2.gz BDCSWHGVEFHNBE-CALCHBBNSA-N 2 0 344.503 2.311 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000303894943 1213922654 /nfs/dbraw/zinc/92/26/54/1213922654.db2.gz PFXZHSNLJVNJHD-IBGZPJMESA-N 2 0 345.535 2.316 20 30 EEEDRP CN1CC[N@H+](CCCNC(=[NH2+])N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303908880 1213923892 /nfs/dbraw/zinc/92/38/92/1213923892.db2.gz XWSAYINWEAJFPC-IBGZPJMESA-N 2 0 343.519 2.166 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957605427 1215249983 /nfs/dbraw/zinc/24/99/83/1215249983.db2.gz BHOGEIKISYLTQO-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP CC(C)CNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304764876 1216105205 /nfs/dbraw/zinc/10/52/05/1216105205.db2.gz YPNHKMNLKVYBTP-MRXNPFEDSA-N 2 0 332.492 2.447 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)CC1 ZINC000962809758 1216108036 /nfs/dbraw/zinc/10/80/36/1216108036.db2.gz SZJDDEHHMDXQCM-UHFFFAOYSA-N 2 0 343.515 2.316 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC000960043706 1216319723 /nfs/dbraw/zinc/31/97/23/1216319723.db2.gz NYEQGRGQHVHDMO-RBUKOAKNSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000960332764 1216499856 /nfs/dbraw/zinc/49/98/56/1216499856.db2.gz DXVMPDTZOOMLKD-NHCUHLMSSA-N 2 0 347.462 2.367 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289578 1217130371 /nfs/dbraw/zinc/13/03/71/1217130371.db2.gz BWENKXABGRAQPC-OALUTQOASA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961439171 1217190674 /nfs/dbraw/zinc/19/06/74/1217190674.db2.gz FTYRAUCKKCASHJ-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327544 1217522788 /nfs/dbraw/zinc/52/27/88/1217522788.db2.gz DFCRTPXAZWONBE-MJGOQNOKSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425186 1220501434 /nfs/dbraw/zinc/50/14/34/1220501434.db2.gz YHFVYEONOCINAK-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001016822918 1226905676 /nfs/dbraw/zinc/90/56/76/1226905676.db2.gz IVEBILJBMIEZOL-GOEBONIOSA-N 2 0 328.460 2.376 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018989975 1228610919 /nfs/dbraw/zinc/61/09/19/1228610919.db2.gz AXVRMGCLISVYFL-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019095020 1228726851 /nfs/dbraw/zinc/72/68/51/1228726851.db2.gz YITDGRHHAQHMLC-SFHVURJKSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001039251244 1230487676 /nfs/dbraw/zinc/48/76/76/1230487676.db2.gz QYBFMEYBQJGAKO-MOPGFXCFSA-N 2 0 349.494 2.004 20 30 EEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001039282081 1230507245 /nfs/dbraw/zinc/50/72/45/1230507245.db2.gz ISQFVWATHMTEDC-AYHJJNSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206985 1231103266 /nfs/dbraw/zinc/10/32/66/1231103266.db2.gz CCNBRGUZMRQOHS-ICSRJNTNSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329183 1231172401 /nfs/dbraw/zinc/17/24/01/1231172401.db2.gz SADBDWTYJWBXNP-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349181 1231181677 /nfs/dbraw/zinc/18/16/77/1231181677.db2.gz WMUDSZGWWBRRHU-TZIWHRDSSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387780 1231200375 /nfs/dbraw/zinc/20/03/75/1231200375.db2.gz JOZLJJAHSBGKLJ-DNVCBOLYSA-N 2 0 328.460 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CC(C)C)CC3)CC1 ZINC001040948673 1231408140 /nfs/dbraw/zinc/40/81/40/1231408140.db2.gz WTWHAHWLCBZXSZ-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286318 1231495144 /nfs/dbraw/zinc/49/51/44/1231495144.db2.gz JQRSWMVMIWCVRJ-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432793 1231544504 /nfs/dbraw/zinc/54/45/04/1231544504.db2.gz SRAJXUGOTARQJL-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CCC(C)CC3)C2)CC1 ZINC001044336135 1232880693 /nfs/dbraw/zinc/88/06/93/1232880693.db2.gz YPBKNENGMJNIKY-UHFFFAOYSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663318 1233892854 /nfs/dbraw/zinc/89/28/54/1233892854.db2.gz LTXIATJAHDJEMY-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990442 1235401261 /nfs/dbraw/zinc/40/12/61/1235401261.db2.gz QVYLYQDIUKJTDR-OAHLLOKOSA-N 2 0 341.446 2.122 20 30 EEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000902376477 1237483538 /nfs/dbraw/zinc/48/35/38/1237483538.db2.gz NOMKWTBTMVFYLB-ZWKOTPCHSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107313 1240019342 /nfs/dbraw/zinc/01/93/42/1240019342.db2.gz DOSQDFKHYFFITG-YVSFHVDLSA-N 2 0 337.895 2.146 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001000862542 1241073443 /nfs/dbraw/zinc/07/34/43/1241073443.db2.gz PKRDKWWBZPLRIK-QGZVFWFLSA-N 2 0 328.460 2.160 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001000992599 1241399641 /nfs/dbraw/zinc/39/96/41/1241399641.db2.gz NZJDRPUGQNOYQO-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049767758 1242133906 /nfs/dbraw/zinc/13/39/06/1242133906.db2.gz RAQDQLIZOVFBBN-IPMKNSEASA-N 2 0 331.504 2.338 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826893 1242326857 /nfs/dbraw/zinc/32/68/57/1242326857.db2.gz IYSGDYGIUVKUIQ-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467893 1242328376 /nfs/dbraw/zinc/32/83/76/1242328376.db2.gz OGCQFKYUSVWADA-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC=C(C)C)CC1 ZINC001049909346 1242656873 /nfs/dbraw/zinc/65/68/73/1242656873.db2.gz ADXJDIKONQSRJC-VQTJNVASSA-N 2 0 343.515 2.363 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001073899215 1242761380 /nfs/dbraw/zinc/76/13/80/1242761380.db2.gz NVRNVGYLGMUYJJ-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899589 1242763119 /nfs/dbraw/zinc/76/31/19/1242763119.db2.gz XYAXLPAGYONGHS-SFHVURJKSA-N 2 0 345.487 2.145 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577501 1243876360 /nfs/dbraw/zinc/87/63/60/1243876360.db2.gz STEUQEKRKFATKS-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097854039 1244689912 /nfs/dbraw/zinc/68/99/12/1244689912.db2.gz SWLKYKBHJJYLKH-OAFZBRQQSA-N 2 0 337.483 2.497 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312787 1245646151 /nfs/dbraw/zinc/64/61/51/1245646151.db2.gz LNRWVDAYYQCUOY-NQIIRXRSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039273 1245742030 /nfs/dbraw/zinc/74/20/30/1245742030.db2.gz DLQQLCIYHYZNOY-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541840 1245944291 /nfs/dbraw/zinc/94/42/91/1245944291.db2.gz XHEAWURRJBRUKH-IEBWSBKVSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042101 1247204552 /nfs/dbraw/zinc/20/45/52/1247204552.db2.gz OFWMDLNALIXQRY-LSTHTHJFSA-N 2 0 341.499 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129430 1247472359 /nfs/dbraw/zinc/47/23/59/1247472359.db2.gz QSJHNYWYCLVMGL-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650980 1247774197 /nfs/dbraw/zinc/77/41/97/1247774197.db2.gz BZTAAMGFWWUTTI-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522962 1258190498 /nfs/dbraw/zinc/19/04/98/1258190498.db2.gz XSNIHNWXXCWDFZ-RDGPPVDQSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCCCCC ZINC001099536242 1258194338 /nfs/dbraw/zinc/19/43/38/1258194338.db2.gz KHGZNZVPABBIQN-YRPNKDGESA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185518381 1278685731 /nfs/dbraw/zinc/68/57/31/1278685731.db2.gz YQHJNVLUXDGGPH-CVEARBPZSA-N 2 0 330.476 2.412 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134762555 1278012371 /nfs/dbraw/zinc/01/23/71/1278012371.db2.gz BRLQJOGHISTNTI-LJQANCHMSA-N 2 0 327.472 2.007 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001187298892 1279498123 /nfs/dbraw/zinc/49/81/23/1279498123.db2.gz PQIYHHIIJBYFPH-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405137 1279883188 /nfs/dbraw/zinc/88/31/88/1279883188.db2.gz ARIWQNDHLSVLRK-PKOBYXMFSA-N 2 0 342.487 2.407 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001191020419 1281180232 /nfs/dbraw/zinc/18/02/32/1281180232.db2.gz XHEJWVPVQZQIIF-AWEZNQCLSA-N 2 0 348.516 2.383 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001193600893 1282628808 /nfs/dbraw/zinc/62/88/08/1282628808.db2.gz OGSMTDUJLBBOFT-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885447 1285411407 /nfs/dbraw/zinc/41/14/07/1285411407.db2.gz IAQJBMQUBRIDFP-GOSISDBHSA-N 2 0 345.487 2.360 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000105477094 1286415997 /nfs/dbraw/zinc/41/59/97/1286415997.db2.gz NKJTZNDICSSGCF-UHFFFAOYSA-N 2 0 343.519 2.154 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660978 1292283516 /nfs/dbraw/zinc/28/35/16/1292283516.db2.gz KPXLMMWDKXDYPI-MKXGPGLRSA-N 2 0 349.519 2.173 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001211268287 1295789193 /nfs/dbraw/zinc/78/91/93/1295789193.db2.gz HSGCEUUTKIYXLH-KRWDZBQOSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001072738546 1296085520 /nfs/dbraw/zinc/08/55/20/1296085520.db2.gz YZWIWYKDEFZTHD-GOSISDBHSA-N 2 0 343.515 2.199 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537919 1298051630 /nfs/dbraw/zinc/05/16/30/1298051630.db2.gz RNKOAFLVXLPZBW-HDMKZQKVSA-N 2 0 348.406 2.035 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001099079051 1298861464 /nfs/dbraw/zinc/86/14/64/1298861464.db2.gz KHLRCJPWBOCGKG-FPOVZHCZSA-N 2 0 339.483 2.356 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223375192 1300106466 /nfs/dbraw/zinc/10/64/66/1300106466.db2.gz XRLSGUNHHRLBHD-KRWDZBQOSA-N 2 0 327.488 2.461 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169141 1300464464 /nfs/dbraw/zinc/46/44/64/1300464464.db2.gz GTUDSQWJGJIDEY-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001276980242 1300644532 /nfs/dbraw/zinc/64/45/32/1300644532.db2.gz UUZOQGMZKIPCSZ-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224796911 1300741491 /nfs/dbraw/zinc/74/14/91/1300741491.db2.gz UYLNZWCACAFEBI-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226564846 1301464115 /nfs/dbraw/zinc/46/41/15/1301464115.db2.gz QCOUVZOYASPAEY-RBSFLKMASA-N 2 0 333.879 2.436 20 30 EEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001227792152 1301966921 /nfs/dbraw/zinc/96/69/21/1301966921.db2.gz LGTNXJQXKCRWSA-LJQANCHMSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001229135499 1302636411 /nfs/dbraw/zinc/63/64/11/1302636411.db2.gz OCOYSUKTSUOEOK-QZTJIDSGSA-N 2 0 337.508 2.082 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(C)C)CC1 ZINC001230251691 1303128477 /nfs/dbraw/zinc/12/84/77/1303128477.db2.gz FAZBDTYIQBGENH-RTBURBONSA-N 2 0 331.504 2.315 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230716150 1303411412 /nfs/dbraw/zinc/41/14/12/1303411412.db2.gz BMCJMQBKHSRJCY-SFHVURJKSA-N 2 0 330.476 2.060 20 30 EEEDRP C=C(C)C[N@H+](CCCNC(=O)CCc1ncc[nH]1)Cc1cccnc1 ZINC001230745859 1303429626 /nfs/dbraw/zinc/42/96/26/1303429626.db2.gz OEWHLZDNPHMFND-UHFFFAOYSA-N 2 0 341.459 2.322 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1CCC)Cc1cccnc1 ZINC001230771667 1303446137 /nfs/dbraw/zinc/44/61/37/1303446137.db2.gz OUCJQMYXSVMQQC-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@@H+](C)CCC)Cc1cccnc1 ZINC001230906178 1303538729 /nfs/dbraw/zinc/53/87/29/1303538729.db2.gz OTYNEDPQHVWFLL-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231521155 1303828812 /nfs/dbraw/zinc/82/88/12/1303828812.db2.gz YVFKKTLRKYFMMN-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796113 1303899997 /nfs/dbraw/zinc/89/99/97/1303899997.db2.gz UWCPUCWBERVGIH-PXNSSMCTSA-N 2 0 342.487 2.455 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206129 1304330474 /nfs/dbraw/zinc/33/04/74/1304330474.db2.gz ILLVYZFPDKYUEY-RRFJBIMHSA-N 2 0 347.425 2.416 20 30 EEEDRP Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23C[NH+](CC2CC[NH2+]CC2)C3)c1 ZINC001277824518 1304675770 /nfs/dbraw/zinc/67/57/70/1304675770.db2.gz UAIGMHWICCCEQX-KRWDZBQOSA-N 2 0 338.455 2.127 20 30 EEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546492 1305318461 /nfs/dbraw/zinc/31/84/61/1305318461.db2.gz PSSOTESRHRLVGJ-MSOLQXFVSA-N 2 0 349.519 2.225 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231401 1310243993 /nfs/dbraw/zinc/24/39/93/1310243993.db2.gz JWIRXKWEBAWTHI-RUEDAHMLSA-N 2 0 349.519 2.079 20 30 EEEDRP CCc1cc(C#N)ccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001248751539 1310931199 /nfs/dbraw/zinc/93/11/99/1310931199.db2.gz ZMQMQSZLRYPSPN-UHFFFAOYSA-N 2 0 326.488 2.332 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C12CCC2 ZINC001203103947 1315057501 /nfs/dbraw/zinc/05/75/01/1315057501.db2.gz OMSMWPIPVQTLON-IRXDYDNUSA-N 2 0 328.460 2.111 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001150185374 1316194855 /nfs/dbraw/zinc/19/48/55/1316194855.db2.gz DIYAPFRTQGCREL-KRWDZBQOSA-N 2 0 349.475 2.128 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823874 1316892581 /nfs/dbraw/zinc/89/25/81/1316892581.db2.gz BTFQRMZDFMBBLQ-DYVFJYSZSA-N 2 0 348.516 2.287 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898822 1317374897 /nfs/dbraw/zinc/37/48/97/1317374897.db2.gz UJQVDOVWLPRQIH-CQSZACIVSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[N@H+](CC#Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999753 1317414643 /nfs/dbraw/zinc/41/46/43/1317414643.db2.gz MTLBSMNMNBNMBF-MRXNPFEDSA-N 2 0 349.906 2.470 20 30 EEEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001252550860 1317632818 /nfs/dbraw/zinc/63/28/18/1317632818.db2.gz PBOANYDBTHCCLP-LJQANCHMSA-N 2 0 330.472 2.290 20 30 EEEDRP N#Cc1c2c(cnc1N1CC[NH2+][C@H](c3ccccc3)C1)C[NH2+]CCC2 ZINC001157758753 1318841705 /nfs/dbraw/zinc/84/17/05/1318841705.db2.gz DJLPBJMGPIYILV-IBGZPJMESA-N 2 0 333.439 2.140 20 30 EEEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029593 1318975921 /nfs/dbraw/zinc/97/59/21/1318975921.db2.gz KKEWRZWAINGSRD-IAGOWNOFSA-N 2 0 325.472 2.003 20 30 EEEDRP N#Cc1ccc(Oc2nc(Cl)ncc2N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001159789279 1319992384 /nfs/dbraw/zinc/99/23/84/1319992384.db2.gz RLSRZJXDSWDFAR-ZDUSSCGKSA-N 2 0 332.795 2.230 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834980 1320283964 /nfs/dbraw/zinc/28/39/64/1320283964.db2.gz STUGVAVVCDRCIK-UHFFFAOYSA-N 2 0 340.471 2.030 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001161251720 1320434776 /nfs/dbraw/zinc/43/47/76/1320434776.db2.gz WLEILBYCGIYUSS-UHFFFAOYSA-N 2 0 334.439 2.024 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649618 1320570248 /nfs/dbraw/zinc/57/02/48/1320570248.db2.gz PCPHSUPMILMHNJ-CQSZACIVSA-N 2 0 346.313 2.111 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)(COC)CC1 ZINC001162533785 1320888843 /nfs/dbraw/zinc/88/88/43/1320888843.db2.gz STYVTTHTXQWRLM-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048267 1324287700 /nfs/dbraw/zinc/28/77/00/1324287700.db2.gz FSFOZECIIVQNMM-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210218135 1325203996 /nfs/dbraw/zinc/20/39/96/1325203996.db2.gz OUMGDTLDDXZILT-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[C@H](C(=O)N(C)C1CC[NH+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001566609005 1342578362 /nfs/dbraw/zinc/57/83/62/1342578362.db2.gz NKAKBEOOFFJBCU-HXUWFJFHSA-N 2 0 341.499 2.301 20 30 EEEDRP N#CCCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c(-c2ccncc2)n1 ZINC001580052744 1344460081 /nfs/dbraw/zinc/46/00/81/1344460081.db2.gz UJNZOQPEBKIYSR-IAGOWNOFSA-N 2 0 336.443 2.218 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001112354464 1371410204 /nfs/dbraw/zinc/41/02/04/1371410204.db2.gz KBOBVLJRSFOSQF-RXVVDRJESA-N 2 0 345.531 2.493 20 30 EEEDRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001366270829 1373868046 /nfs/dbraw/zinc/86/80/46/1373868046.db2.gz ACOYSVPVDJCFSA-INIZCTEOSA-N 2 0 342.487 2.417 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001370935933 1375145532 /nfs/dbraw/zinc/14/55/32/1375145532.db2.gz XCRIOSFEOZCIEF-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001375055888 1377323281 /nfs/dbraw/zinc/32/32/81/1377323281.db2.gz PCCLYPIPRKLPJH-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001375892758 1378116033 /nfs/dbraw/zinc/11/60/33/1378116033.db2.gz ASQOQWUKGIYDJF-ICSRJNTNSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(C#N)c1 ZINC001378275897 1379836128 /nfs/dbraw/zinc/83/61/28/1379836128.db2.gz UNRVFGZRMYFZSK-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001378438163 1379963546 /nfs/dbraw/zinc/96/35/46/1379963546.db2.gz ISZXUUNHWSYWPZ-KKUMJFAQSA-N 2 0 333.879 2.436 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001379186523 1380624879 /nfs/dbraw/zinc/62/48/79/1380624879.db2.gz ZQQWLYRXMLLXKZ-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1)[NH+](C)C ZINC001380893508 1381425337 /nfs/dbraw/zinc/42/53/37/1381425337.db2.gz AEPCQVIKCXZMDD-SFHVURJKSA-N 2 0 342.487 2.273 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001393522352 1390457576 /nfs/dbraw/zinc/45/75/76/1390457576.db2.gz DYOPVHWNCWJGPH-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001394208145 1390649235 /nfs/dbraw/zinc/64/92/35/1390649235.db2.gz TXDDZCDVGFUKGN-WMLDXEAASA-N 2 0 348.516 2.479 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1)[NH+](C)C ZINC001402583264 1398071636 /nfs/dbraw/zinc/07/16/36/1398071636.db2.gz YQILZSFQGGGJJW-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001402977746 1398301551 /nfs/dbraw/zinc/30/15/51/1398301551.db2.gz VLTXGSVGVJOJCL-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001422596164 1400064625 /nfs/dbraw/zinc/06/46/25/1400064625.db2.gz DMUOHFHFRBOMSS-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755075541 1407085015 /nfs/dbraw/zinc/08/50/15/1407085015.db2.gz ITAWZEJABZKNLT-FXAWDEMLSA-N 2 0 341.499 2.447 20 30 EEEDRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001424313966 1401051760 /nfs/dbraw/zinc/05/17/60/1401051760.db2.gz KDHCZGXJABXJOF-SFHVURJKSA-N 2 0 330.476 2.179 20 30 EEEDRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC001576729764 1403600428 /nfs/dbraw/zinc/60/04/28/1403600428.db2.gz YDUKVBBLPCOKMX-GXTWGEPZSA-N 2 0 334.851 2.457 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397125 1410896629 /nfs/dbraw/zinc/89/66/29/1410896629.db2.gz TXQTXCQGNLUVFY-ZJOUEHCJSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001167243315 757561249 /nfs/dbraw/zinc/56/12/49/757561249.db2.gz PTKLZGPHBZXQRU-UHFFFAOYSA-N 2 0 341.499 2.060 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203202830 758248701 /nfs/dbraw/zinc/24/87/01/758248701.db2.gz BRCQMSCULGWKBZ-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C(C)(C)[C@H]21 ZINC001087296341 761512176 /nfs/dbraw/zinc/51/21/76/761512176.db2.gz XRDQKAOSDIQBDV-KURKYZTESA-N 2 0 336.439 2.186 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105025260 768892952 /nfs/dbraw/zinc/89/29/52/768892952.db2.gz RUIJXMWHUNMKGS-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415926 768912346 /nfs/dbraw/zinc/91/23/46/768912346.db2.gz FPMSTYAUYFVYSH-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529919 770345358 /nfs/dbraw/zinc/34/53/58/770345358.db2.gz VPRPAXALEYKOKL-BQFCYCMXSA-N 2 0 339.911 2.442 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980215648 774125540 /nfs/dbraw/zinc/12/55/40/774125540.db2.gz HXXUTPVHKLGLHA-XUVXKRRUSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414109 777343881 /nfs/dbraw/zinc/34/38/81/777343881.db2.gz HZMIXKMIAXSFMZ-HOTGVXAUSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC000939813277 777430836 /nfs/dbraw/zinc/43/08/36/777430836.db2.gz YQORSMYFRDIKEN-YLJYHZDGSA-N 2 0 343.515 2.269 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnc1 ZINC001089841926 777736237 /nfs/dbraw/zinc/73/62/37/777736237.db2.gz BRRSETOAWPMSJD-MLHJIOFPSA-N 2 0 328.460 2.018 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC1 ZINC001040924559 778798153 /nfs/dbraw/zinc/79/81/53/778798153.db2.gz OJMJTZYOKVMWEY-FQEVSTJZSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982159220 779197875 /nfs/dbraw/zinc/19/78/75/779197875.db2.gz AVYQUTAMNTUELW-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707156 779205432 /nfs/dbraw/zinc/20/54/32/779205432.db2.gz DLXZXETUPFIARJ-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306259 779658910 /nfs/dbraw/zinc/65/89/10/779658910.db2.gz OSIWPRPLCFVPRD-JYRKZWEQSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@]2(C)C1 ZINC000982318698 779697886 /nfs/dbraw/zinc/69/78/86/779697886.db2.gz HXQRRTZRJRJKBD-BGYRXZFFSA-N 2 0 336.439 2.060 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327836 783520495 /nfs/dbraw/zinc/52/04/95/783520495.db2.gz XZUQTQJXRIMWMF-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000945183875 783574857 /nfs/dbraw/zinc/57/48/57/783574857.db2.gz UGTFCAWONNKVQW-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001135314889 783597409 /nfs/dbraw/zinc/59/74/09/783597409.db2.gz INGQVEBPKSEAIU-ROUUACIJSA-N 2 0 329.488 2.253 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195794 784089488 /nfs/dbraw/zinc/08/94/88/784089488.db2.gz KFECPDVIJLWRLP-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237834 784158040 /nfs/dbraw/zinc/15/80/40/784158040.db2.gz WVKRFUGBNQUGBD-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035724821 785023754 /nfs/dbraw/zinc/02/37/54/785023754.db2.gz UQDINXDRNGFFJT-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995900819 785799512 /nfs/dbraw/zinc/79/95/12/785799512.db2.gz ZUKWLTAJFQIZJV-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036193316 785964314 /nfs/dbraw/zinc/96/43/14/785964314.db2.gz MESIJZPQWVVMDN-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001036257847 786116069 /nfs/dbraw/zinc/11/60/69/786116069.db2.gz NDZYOMVBQVFBLZ-DOMZBBRYSA-N 2 0 336.867 2.340 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000923371231 789447735 /nfs/dbraw/zinc/44/77/35/789447735.db2.gz WBHYEGVGOOGJKE-VQIMIIECSA-N 2 0 348.487 2.141 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091065362 789687642 /nfs/dbraw/zinc/68/76/42/789687642.db2.gz BDDKMSBPXZGNMX-HWOWSKLDSA-N 2 0 327.900 2.201 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585545 791338508 /nfs/dbraw/zinc/33/85/08/791338508.db2.gz ZVBVURBFIBTVHG-IAGOWNOFSA-N 2 0 347.503 2.437 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594830 791365896 /nfs/dbraw/zinc/36/58/96/791365896.db2.gz VHRVLCRRQQXLGL-ZWKOTPCHSA-N 2 0 329.488 2.251 20 30 EEEDRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000998085869 791939051 /nfs/dbraw/zinc/93/90/51/791939051.db2.gz ITSQJUHVVGCVHN-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998103160 791970883 /nfs/dbraw/zinc/97/08/83/791970883.db2.gz PHXJRNZYMMRJJD-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673562 792163022 /nfs/dbraw/zinc/16/30/22/792163022.db2.gz FRZAQXVGBXCBDD-OPYAIIAOSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)CC1 ZINC000998287859 792469859 /nfs/dbraw/zinc/46/98/59/792469859.db2.gz REDRKOWXWYQDKH-UHFFFAOYSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590324 792574103 /nfs/dbraw/zinc/57/41/03/792574103.db2.gz CCQFLTJZGPVSGA-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946511 793045335 /nfs/dbraw/zinc/04/53/35/793045335.db2.gz BEDIYCGUKSXFGL-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC000992504101 794433590 /nfs/dbraw/zinc/43/35/90/794433590.db2.gz GBUVPUYQPQMXKV-TZIWHRDSSA-N 2 0 343.515 2.411 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000999488792 794589357 /nfs/dbraw/zinc/58/93/57/794589357.db2.gz HFVCQZZOWULRTM-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC000992691381 795106695 /nfs/dbraw/zinc/10/66/95/795106695.db2.gz NRSWPKNGPIOIDE-RCCFBDPRSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672413 796085765 /nfs/dbraw/zinc/08/57/65/796085765.db2.gz UNUZDWYJNCZFTB-UKRRQHHQSA-N 2 0 329.916 2.401 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993579335 796806631 /nfs/dbraw/zinc/80/66/31/796806631.db2.gz SFCQUTUQNUOBOC-NVXWUHKLSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993617477 796843617 /nfs/dbraw/zinc/84/36/17/796843617.db2.gz CSNPIYMHKHOQLQ-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078822848 797075771 /nfs/dbraw/zinc/07/57/71/797075771.db2.gz FORFGGGHYOQNNX-ZWKOTPCHSA-N 2 0 343.471 2.385 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106859939 797425255 /nfs/dbraw/zinc/42/52/55/797425255.db2.gz AWHBQNSDXSVGMI-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001173425578 797445857 /nfs/dbraw/zinc/44/58/57/797445857.db2.gz YRWVCDUGSBNOBD-WMZOPIPTSA-N 2 0 326.444 2.022 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426435 797447421 /nfs/dbraw/zinc/44/74/21/797447421.db2.gz ZAHPXIMVVJANKF-LJQANCHMSA-N 2 0 340.471 2.237 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884504 797702310 /nfs/dbraw/zinc/70/23/10/797702310.db2.gz IHCAFZHNVWLLON-TZMCWYRMSA-N 2 0 336.867 2.198 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753052 798568869 /nfs/dbraw/zinc/56/88/69/798568869.db2.gz CNDZAMIJGHZNIQ-AWEZNQCLSA-N 2 0 348.329 2.500 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978248 798591419 /nfs/dbraw/zinc/59/14/19/798591419.db2.gz FFSFQRQLEFXDJR-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C12CCC2 ZINC001203356803 799484842 /nfs/dbraw/zinc/48/48/42/799484842.db2.gz BRQUYLWWYLSIGV-HZPDHXFCSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC001003378513 799586465 /nfs/dbraw/zinc/58/64/65/799586465.db2.gz SDQMFQPMMYJQPG-IBGZPJMESA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729338 799618154 /nfs/dbraw/zinc/61/81/54/799618154.db2.gz UKZSCOLKFRWUBO-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)CCC=C)[C@@H]2C)CC1 ZINC001180204594 800308326 /nfs/dbraw/zinc/30/83/26/800308326.db2.gz UZINNZXJZQWLEB-AOIWGVFYSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180270486 800342455 /nfs/dbraw/zinc/34/24/55/800342455.db2.gz XOVKTLSMOFOXMO-UHFFFAOYSA-N 2 0 346.313 2.257 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085421918 800479959 /nfs/dbraw/zinc/47/99/59/800479959.db2.gz BBBJLDKBHGCPIS-KBRIMQKVSA-N 2 0 346.500 2.088 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001182896682 801390721 /nfs/dbraw/zinc/39/07/21/801390721.db2.gz CFNUYDOVCLHZEX-DYESRHJHSA-N 2 0 341.499 2.459 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165119 801511966 /nfs/dbraw/zinc/51/19/66/801511966.db2.gz NXVVVIMKGXWWCW-FRFSOERESA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC)C2)CC1 ZINC001183495903 801627929 /nfs/dbraw/zinc/62/79/29/801627929.db2.gz BREZGDCIPUHXOV-DBXWQHBBSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004452130 802084367 /nfs/dbraw/zinc/08/43/67/802084367.db2.gz RILOMBGIZHZXJT-XUVXKRRUSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616137 802174824 /nfs/dbraw/zinc/17/48/24/802174824.db2.gz WUCCGOSBSQEHRD-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004549283 802350927 /nfs/dbraw/zinc/35/09/27/802350927.db2.gz XDSIBZYDUCJLBW-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395141 803446133 /nfs/dbraw/zinc/44/61/33/803446133.db2.gz OVMFSMFRNSTOMU-MJGOQNOKSA-N 2 0 339.524 2.116 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399860 803463382 /nfs/dbraw/zinc/46/33/82/803463382.db2.gz YOSNDCONKXGTMI-IBGZPJMESA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717591 804387233 /nfs/dbraw/zinc/38/72/33/804387233.db2.gz PONNTKFWCCKIJB-KKUMJFAQSA-N 2 0 327.900 2.438 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001170211538 809814614 /nfs/dbraw/zinc/81/46/14/809814614.db2.gz PCJZCGYYDGMSKC-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001129418603 810832987 /nfs/dbraw/zinc/83/29/87/810832987.db2.gz VKWCBLYHZFMULB-QGZVFWFLSA-N 2 0 346.450 2.166 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129430331 810850625 /nfs/dbraw/zinc/85/06/25/810850625.db2.gz SRLAHAIZQCILOO-IBGZPJMESA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086624114 810936077 /nfs/dbraw/zinc/93/60/77/810936077.db2.gz NWCYSRAQJHMAGQ-CEXWTWQISA-N 2 0 327.472 2.098 20 30 EEEDRP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001130401705 811580766 /nfs/dbraw/zinc/58/07/66/811580766.db2.gz LCKDEKBYRGRGKU-HNNXBMFYSA-N 2 0 347.507 2.122 20 30 EEEDRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001130617862 811860611 /nfs/dbraw/zinc/86/06/11/811860611.db2.gz LRQSFWNNAUMYFG-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001440131798 1093197817 /nfs/dbraw/zinc/19/78/17/1093197817.db2.gz ZMOBQCIPUCJYQW-KGLIPLIRSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001440467478 1093692059 /nfs/dbraw/zinc/69/20/59/1093692059.db2.gz KDHCZGXJABXJOF-GOSISDBHSA-N 2 0 330.476 2.179 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001440599557 1093864554 /nfs/dbraw/zinc/86/45/54/1093864554.db2.gz PDBNCVQPHRGRGY-WMLDXEAASA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496238873 1100806759 /nfs/dbraw/zinc/80/67/59/1100806759.db2.gz OTKDOIJKWGIKEZ-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001446944658 1101635282 /nfs/dbraw/zinc/63/52/82/1101635282.db2.gz UCZYAHIKHDRRCM-HUUCEWRRSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001447080065 1101946753 /nfs/dbraw/zinc/94/67/53/1101946753.db2.gz TWQGSUHWJLFQLH-KLHDSHLOSA-N 2 0 327.900 2.344 20 30 EEEDRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001497216330 1102139256 /nfs/dbraw/zinc/13/92/56/1102139256.db2.gz QIJUDQNJHCGBQX-MAUKXSAKSA-N 2 0 333.451 2.002 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416444 1107483714 /nfs/dbraw/zinc/48/37/14/1107483714.db2.gz VAVADBRXDRQBSJ-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502142328 1113614392 /nfs/dbraw/zinc/61/43/92/1113614392.db2.gz FNFCZQDRYBIBCI-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000180997441 234056115 /nfs/dbraw/zinc/05/61/15/234056115.db2.gz DYLCSFUZLVIEJA-INIZCTEOSA-N 2 0 327.453 2.476 20 30 EEEDRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1C#N ZINC000369720564 166321062 /nfs/dbraw/zinc/32/10/62/166321062.db2.gz JGEYLPQBHPHISU-LJQANCHMSA-N 2 0 342.487 2.167 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528353723 267057029 /nfs/dbraw/zinc/05/70/29/267057029.db2.gz UTBPMWHEFJILBL-IBGZPJMESA-N 2 0 345.487 2.352 20 30 EEEDRP C[C@H](CC[NH+](C)C)Nc1ccc(C#N)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000277510764 267150107 /nfs/dbraw/zinc/15/01/07/267150107.db2.gz ACPHCYFQKMUYEE-HUUCEWRRSA-N 2 0 332.496 2.457 20 30 EEEDRP C=C[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000358301078 465046183 /nfs/dbraw/zinc/04/61/83/465046183.db2.gz OQNDUVJPHYFZFR-LSDHHAIUSA-N 2 0 339.505 2.142 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154256633 462746946 /nfs/dbraw/zinc/74/69/46/462746946.db2.gz ONHZQRRVNSBZHT-GOSISDBHSA-N 2 0 329.488 2.377 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000050025749 462984514 /nfs/dbraw/zinc/98/45/14/462984514.db2.gz RPYPNFWPAYKXQW-FQEVSTJZSA-N 2 0 341.499 2.313 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448705 463293394 /nfs/dbraw/zinc/29/33/94/463293394.db2.gz FCJYMSWXSYFYPJ-FXAWDEMLSA-N 2 0 339.483 2.111 20 30 EEEDRP C#CCCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185868263 463894410 /nfs/dbraw/zinc/89/44/10/463894410.db2.gz SLPJUTDKGJVNHG-SFHVURJKSA-N 2 0 329.488 2.204 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000171721693 463913693 /nfs/dbraw/zinc/91/36/93/463913693.db2.gz RAZIPGWZIFARDL-QFBILLFUSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCOc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289456763 464079174 /nfs/dbraw/zinc/07/91/74/464079174.db2.gz NXLUFSKNGBGQQJ-UHFFFAOYSA-N 2 0 341.499 2.158 20 30 EEEDRP CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068174 464279690 /nfs/dbraw/zinc/27/96/90/464279690.db2.gz BZVPPYSDEMCPJI-HZPDHXFCSA-N 2 0 335.496 2.051 20 30 EEEDRP CN1CC[N@H+](CCCNC(=[NH2+])NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000264136737 464286628 /nfs/dbraw/zinc/28/66/28/464286628.db2.gz ZWWSYEDFGFRSEN-QGZVFWFLSA-N 2 0 331.508 2.068 20 30 EEEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C[C@@H](C)O1 ZINC000273363187 464713467 /nfs/dbraw/zinc/71/34/67/464713467.db2.gz TXUNCILYMGQXLA-HUUCEWRRSA-N 2 0 330.476 2.205 20 30 EEEDRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551996 468420608 /nfs/dbraw/zinc/42/06/08/468420608.db2.gz SBAJCLWCHBYLMB-FUHWJXTLSA-N 2 0 333.476 2.254 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000275168891 464766110 /nfs/dbraw/zinc/76/61/10/464766110.db2.gz BSTZHSXTXNLRNQ-ROUUACIJSA-N 2 0 336.524 2.278 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000267452697 464933269 /nfs/dbraw/zinc/93/32/69/464933269.db2.gz RXBBOZSCJOTYRG-MRXNPFEDSA-N 2 0 348.491 2.025 20 30 EEEDRP C[NH+](C)[C@]1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCSC1 ZINC000330172585 465558265 /nfs/dbraw/zinc/55/82/65/465558265.db2.gz YBIGDWCRIXXZDT-KRWDZBQOSA-N 2 0 342.553 2.237 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 ZINC000372065783 466142686 /nfs/dbraw/zinc/14/26/86/466142686.db2.gz IDALEQURXOJZFP-YJBOKZPZSA-N 2 0 327.476 2.242 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000417543393 466880066 /nfs/dbraw/zinc/88/00/66/466880066.db2.gz ULWQAVWFVZSUJA-DLBZAZTESA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488846371 468108526 /nfs/dbraw/zinc/10/85/26/468108526.db2.gz STKLYJYRDFTCKD-ZIFCJYIRSA-N 2 0 348.535 2.399 20 30 EEEDRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[NH+]1CCCCC1 ZINC000591760398 468516005 /nfs/dbraw/zinc/51/60/05/468516005.db2.gz AFBOMAZVAIWZMX-IEBWSBKVSA-N 2 0 345.487 2.346 20 30 EEEDRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595620635 468926332 /nfs/dbraw/zinc/92/63/32/468926332.db2.gz NYZHLJYYYRVIIQ-AEFFLSMTSA-N 2 0 328.460 2.031 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609133486 469894282 /nfs/dbraw/zinc/89/42/82/469894282.db2.gz MYEQHIZXLORUEI-VQIMIIECSA-N 2 0 336.524 2.482 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000171741436 526425116 /nfs/dbraw/zinc/42/51/16/526425116.db2.gz KPXBVYFDARJTIS-UHFFFAOYSA-N 2 0 344.503 2.410 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000171719910 526435629 /nfs/dbraw/zinc/43/56/29/526435629.db2.gz XBINSMDEGSMWBE-GOSISDBHSA-N 2 0 348.466 2.378 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000291923143 526930177 /nfs/dbraw/zinc/93/01/77/526930177.db2.gz RWERIFDWZUNICJ-YLJYHZDGSA-N 2 0 339.483 2.111 20 30 EEEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000104164722 528192547 /nfs/dbraw/zinc/19/25/47/528192547.db2.gz BDJIYYZOCDCWTL-IBGZPJMESA-N 3 0 345.535 2.417 20 30 EEEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000104170025 529142681 /nfs/dbraw/zinc/14/26/81/529142681.db2.gz XKVLQRLXMQTWNI-UHFFFAOYSA-N 2 0 343.519 2.320 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C)c3)C2)CC1 ZINC001021089246 675715673 /nfs/dbraw/zinc/71/56/73/675715673.db2.gz CALSGYRPOUYNSY-MXVIHJGJSA-N 2 0 339.483 2.077 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000970922336 676244357 /nfs/dbraw/zinc/24/43/57/676244357.db2.gz WBOBMJRPXGSTPV-MRXNPFEDSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001021705410 676366025 /nfs/dbraw/zinc/36/60/25/676366025.db2.gz ZYQVKDFURZPXDC-QUCCMNQESA-N 2 0 348.450 2.432 20 30 EEEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845674 676881887 /nfs/dbraw/zinc/88/18/87/676881887.db2.gz YQJKDZWANNAMNV-HZPDHXFCSA-N 2 0 327.900 2.392 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023130935 679137601 /nfs/dbraw/zinc/13/76/01/679137601.db2.gz NZMQLNTWBQWROP-OTWHNJEPSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414699 679298204 /nfs/dbraw/zinc/29/82/04/679298204.db2.gz YSBBDHVRRJGLAP-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001023514233 679352393 /nfs/dbraw/zinc/35/23/93/679352393.db2.gz JMCUOCAMJJCSKY-QGZVFWFLSA-N 2 0 336.439 2.337 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001024162685 679829186 /nfs/dbraw/zinc/82/91/86/679829186.db2.gz XSTGZAUOCBKDLT-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C[C@H](F)CC)CC1 ZINC001024813229 681466197 /nfs/dbraw/zinc/46/61/97/681466197.db2.gz WURYTXVGCMUTHH-MSOLQXFVSA-N 2 0 337.483 2.050 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982616041 681801544 /nfs/dbraw/zinc/80/15/44/681801544.db2.gz BILHKKCIGMOJAA-BGYRXZFFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541715 681864769 /nfs/dbraw/zinc/86/47/69/681864769.db2.gz FBSHKOOFMATTJX-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982671507 682010411 /nfs/dbraw/zinc/01/04/11/682010411.db2.gz MIXCWSHRMAWZCO-BGYRXZFFSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724895 682110657 /nfs/dbraw/zinc/11/06/57/682110657.db2.gz FYLRJLLBODTXTB-LFGUQSLTSA-N 2 0 333.520 2.463 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)s1 ZINC001025160999 682134707 /nfs/dbraw/zinc/13/47/07/682134707.db2.gz YMRIMHRRYILCGU-OAHLLOKOSA-N 2 0 346.500 2.186 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259454 682338455 /nfs/dbraw/zinc/33/84/55/682338455.db2.gz PRFPHCWJGFKOSC-ZWKOTPCHSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC000992729917 683316368 /nfs/dbraw/zinc/31/63/68/683316368.db2.gz PJVMAYPUJPLLON-FGTMMUONSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647028 693746681 /nfs/dbraw/zinc/74/66/81/693746681.db2.gz KPTZARIDCLZDMG-UYAOXDASSA-N 2 0 327.472 2.019 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(C)ccc12 ZINC000303984771 686964896 /nfs/dbraw/zinc/96/48/96/686964896.db2.gz SKEMGRRCJXOETP-MRXNPFEDSA-N 2 0 327.476 2.407 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(NCc2nc(C)c(C)s2)=[NH+]C)CC1 ZINC000089062251 692524089 /nfs/dbraw/zinc/52/40/89/692524089.db2.gz GEDGTYSWMJDMNP-UHFFFAOYSA-N 2 0 335.521 2.465 20 30 EEEDRP C#CCN1CC2(CCC1=O)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272716508 1191977691 /nfs/dbraw/zinc/97/76/91/1191977691.db2.gz GMHBZPMHTRZYOD-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001754745088 1179314894 /nfs/dbraw/zinc/31/48/94/1179314894.db2.gz TUXBZERIPDYGBO-OAHLLOKOSA-N 2 0 329.435 2.122 20 30 EEEDRP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001105446503 1187199561 /nfs/dbraw/zinc/19/95/61/1187199561.db2.gz MPTBGSFQBLRCMI-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C1(C[NH+](C)C)CC1)CCO2 ZINC001105479246 1188088654 /nfs/dbraw/zinc/08/86/54/1188088654.db2.gz VPKZCNADYISEHW-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539931 1188160890 /nfs/dbraw/zinc/16/08/90/1188160890.db2.gz SYUPPQSTSWAHJL-MOPGFXCFSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568608 1188182784 /nfs/dbraw/zinc/18/27/84/1188182784.db2.gz UWVHFFQKJQUCTJ-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574709 1188188290 /nfs/dbraw/zinc/18/82/90/1188188290.db2.gz FQJNIDASAMESGH-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577060 1188191253 /nfs/dbraw/zinc/19/12/53/1188191253.db2.gz PVMFZYRIWLQCED-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076364736 1188873948 /nfs/dbraw/zinc/87/39/48/1188873948.db2.gz PMYZZWYIBWNPNE-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001484996951 1191607441 /nfs/dbraw/zinc/60/74/41/1191607441.db2.gz GUQGGBCJRZITCN-MAUKXSAKSA-N 2 0 347.890 2.270 20 30 EEEDRP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101070 1194383096 /nfs/dbraw/zinc/38/30/96/1194383096.db2.gz MYFOFDHZSONNSP-HXUWFJFHSA-N 2 0 347.503 2.136 20 30 EEEDRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777024 1195261161 /nfs/dbraw/zinc/26/11/61/1195261161.db2.gz SFJWFFPAKZGDMQ-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139582 1195813067 /nfs/dbraw/zinc/81/30/67/1195813067.db2.gz UUMIJYGZLUMCMX-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528044 1196332078 /nfs/dbraw/zinc/33/20/78/1196332078.db2.gz IUYZLZJSDYCPJM-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001034539264 1196363512 /nfs/dbraw/zinc/36/35/12/1196363512.db2.gz ZVHPKYHEIVUDGB-SJLPKXTDSA-N 2 0 337.483 2.050 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411394 1199681233 /nfs/dbraw/zinc/68/12/33/1199681233.db2.gz ZDARCUQIMXBZTA-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728900 1199775999 /nfs/dbraw/zinc/77/59/99/1199775999.db2.gz CWYXVUZQZOABQG-CABCVRRESA-N 2 0 327.900 2.488 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132932444 1200209679 /nfs/dbraw/zinc/20/96/79/1200209679.db2.gz JPUJFUPKTXOKSS-DLBZAZTESA-N 2 0 330.476 2.168 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011586 1200332558 /nfs/dbraw/zinc/33/25/58/1200332558.db2.gz KTEXWPVAFXOVIN-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133249338 1200640365 /nfs/dbraw/zinc/64/03/65/1200640365.db2.gz DBLFXUSNVGTIHI-XLIONFOSSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133250327 1200643169 /nfs/dbraw/zinc/64/31/69/1200643169.db2.gz SZIJPEQIWJBYIJ-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001133403840 1200865261 /nfs/dbraw/zinc/86/52/61/1200865261.db2.gz MKIHPNJAXRYJEK-MRXNPFEDSA-N 2 0 347.890 2.376 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnoc4)C[C@H]3CC2)cc1C#N ZINC001276254120 1205856645 /nfs/dbraw/zinc/85/66/45/1205856645.db2.gz YRNGZSZQLNGYDS-HDICACEKSA-N 2 0 339.443 2.229 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000778167908 1207760577 /nfs/dbraw/zinc/76/05/77/1207760577.db2.gz SNFOUPXVAQBXPL-OAHLLOKOSA-N 2 0 335.879 2.078 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710381 1209316504 /nfs/dbraw/zinc/31/65/04/1209316504.db2.gz APNZYKIKCKVGSJ-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948982433 1209487727 /nfs/dbraw/zinc/48/77/27/1209487727.db2.gz LIMVYADEUFQLEM-LJQANCHMSA-N 2 0 339.483 2.374 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC000949114965 1209541381 /nfs/dbraw/zinc/54/13/81/1209541381.db2.gz OESPCANFOKUNLF-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC000957592227 1215237552 /nfs/dbraw/zinc/23/75/52/1215237552.db2.gz QZFDWTCLIFOKDC-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605411 1215250042 /nfs/dbraw/zinc/25/00/42/1215250042.db2.gz AIPKWEDAYKHINT-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000304799989 1216105978 /nfs/dbraw/zinc/10/59/78/1216105978.db2.gz OINROFCYZDOKCJ-MRXNPFEDSA-N 2 0 344.503 2.190 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961374983 1217163537 /nfs/dbraw/zinc/16/35/37/1217163537.db2.gz NBCZKDDOGAOXNP-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432783 1217188156 /nfs/dbraw/zinc/18/81/56/1217188156.db2.gz SHKOFLWEPKPNTB-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000962307477 1217604332 /nfs/dbraw/zinc/60/43/32/1217604332.db2.gz TTWWLEJGASPMTR-WLYUNCDWSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000963947307 1218145647 /nfs/dbraw/zinc/14/56/47/1218145647.db2.gz QXEUACFDXYSKSI-OIFHUDRTSA-N 2 0 329.488 2.044 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000964669107 1218525229 /nfs/dbraw/zinc/52/52/29/1218525229.db2.gz LPAHKPDVLMLXFC-RSOWUBFDSA-N 2 0 339.911 2.486 20 30 EEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000965062280 1218866787 /nfs/dbraw/zinc/86/67/87/1218866787.db2.gz HSUSLQPKFIWYRE-LBOWEKIUSA-N 2 0 337.483 2.402 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000965526474 1219126702 /nfs/dbraw/zinc/12/67/02/1219126702.db2.gz DUOFWBJQVDINIP-UHFFFAOYSA-N 2 0 339.911 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)[C@H](CC)C2)CC1 ZINC001037984376 1220883868 /nfs/dbraw/zinc/88/38/68/1220883868.db2.gz RMLWJFLDBRQGDI-UYAOXDASSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180713 1230406781 /nfs/dbraw/zinc/40/67/81/1230406781.db2.gz VHADBARPGTZHPF-OALUTQOASA-N 2 0 333.520 2.156 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298177 1231157836 /nfs/dbraw/zinc/15/78/36/1231157836.db2.gz VXIFTYLRUGNUTI-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C/C=C\Cl)C3)C2)CC1 ZINC001041844558 1231728105 /nfs/dbraw/zinc/72/81/05/1231728105.db2.gz KZWFFBCNYZRATF-UVLQEVCMSA-N 2 0 349.906 2.009 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063234 1231862100 /nfs/dbraw/zinc/86/21/00/1231862100.db2.gz SUABWCKJRSAPQV-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124439 1231904942 /nfs/dbraw/zinc/90/49/42/1231904942.db2.gz GGRCEWHGOUZEGS-AEFFLSMTSA-N 2 0 331.504 2.195 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857386 1233320575 /nfs/dbraw/zinc/32/05/75/1233320575.db2.gz IXDIOHBLBGUQDL-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001045895504 1234127235 /nfs/dbraw/zinc/12/72/35/1234127235.db2.gz INODMONSQYFVRB-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@@H+](CCC)C3)C2)CC1 ZINC001045986398 1234281836 /nfs/dbraw/zinc/28/18/36/1234281836.db2.gz POACWELZMMXMMM-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047242899 1235731831 /nfs/dbraw/zinc/73/18/31/1235731831.db2.gz ICOGNVGSVRBGBV-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC001048964166 1239593650 /nfs/dbraw/zinc/59/36/50/1239593650.db2.gz HOZMBKYLWVBXBD-HDICACEKSA-N 2 0 336.439 2.452 20 30 EEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000152231 1240002349 /nfs/dbraw/zinc/00/23/49/1240002349.db2.gz BCDDZTBTILZRSA-WMZOPIPTSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000686990 1240734976 /nfs/dbraw/zinc/73/49/76/1240734976.db2.gz SUHLMDVVZBKGOF-LJQANCHMSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049720941 1241991438 /nfs/dbraw/zinc/99/14/38/1241991438.db2.gz UZOKHZRZTRXHJN-SQGPQFPESA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786489 1242180803 /nfs/dbraw/zinc/18/08/03/1242180803.db2.gz BQTVTAJMPZQCID-RBUKOAKNSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049918855 1242707709 /nfs/dbraw/zinc/70/77/09/1242707709.db2.gz MZLPFAREMMIRGV-OTWHNJEPSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919835 1242711950 /nfs/dbraw/zinc/71/19/50/1242711950.db2.gz PSHWVHKOABACKN-VQTJNVASSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643353 1243034215 /nfs/dbraw/zinc/03/42/15/1243034215.db2.gz KFSWUSMKAFPZMF-NJAFHUGGSA-N 2 0 343.471 2.480 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054128 1245783373 /nfs/dbraw/zinc/78/33/73/1245783373.db2.gz IEUPYOBEUBGTIP-WOJBJXKFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108019 1245928012 /nfs/dbraw/zinc/92/80/12/1245928012.db2.gz ONGSTWWIVMUKEX-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054101147 1247406033 /nfs/dbraw/zinc/40/60/33/1247406033.db2.gz RHXHJMYXMAELOB-WBVHZDCISA-N 2 0 325.884 2.148 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](C(C)C)C3)C2)CC1 ZINC001054244599 1247857686 /nfs/dbraw/zinc/85/76/86/1247857686.db2.gz HXEVYBNUOZWZLF-HXUWFJFHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983158 1255546924 /nfs/dbraw/zinc/54/69/24/1255546924.db2.gz MIMDTXMCNGDJNR-LJQANCHMSA-N 2 0 337.483 2.309 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C[C@H](F)CC)C3)CC1 ZINC001099174571 1257993869 /nfs/dbraw/zinc/99/38/69/1257993869.db2.gz UNFFJQWWOQYXME-NSHGMRRFSA-N 2 0 349.494 2.050 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001099263665 1258050636 /nfs/dbraw/zinc/05/06/36/1258050636.db2.gz VVXKZFBBKYTVAG-ZIAGYGMSSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC=C(C)C)[C@H](C)C2)CC1 ZINC001185730312 1278767389 /nfs/dbraw/zinc/76/73/89/1278767389.db2.gz MTDBWAGIGLZJSC-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185740864 1278768061 /nfs/dbraw/zinc/76/80/61/1278768061.db2.gz FOTSHFAKQIZQIP-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001186156966 1278977286 /nfs/dbraw/zinc/97/72/86/1278977286.db2.gz SLCCFJJVSYKXPS-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001187299254 1279498584 /nfs/dbraw/zinc/49/85/84/1279498584.db2.gz XXKZORDHQFDGTO-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152452243 1285168904 /nfs/dbraw/zinc/16/89/04/1285168904.db2.gz XZMKYMCBCOVSIL-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015650 1296696755 /nfs/dbraw/zinc/69/67/55/1296696755.db2.gz ZFSSBABBKNLHQV-SJLPKXTDSA-N 2 0 330.476 2.311 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216353190 1297144364 /nfs/dbraw/zinc/14/43/64/1297144364.db2.gz VZPOFGWWNNKRRB-BHIYHBOVSA-N 2 0 327.472 2.139 20 30 EEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001219270547 1297969467 /nfs/dbraw/zinc/96/94/67/1297969467.db2.gz LSEXMZUSPOLJLK-DYESRHJHSA-N 2 0 346.434 2.363 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788267 1298147081 /nfs/dbraw/zinc/14/70/81/1298147081.db2.gz PKVMJUGAFXUYTL-AEFFLSMTSA-N 2 0 332.492 2.178 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001224254492 1300511767 /nfs/dbraw/zinc/51/17/67/1300511767.db2.gz VGZZVHTZNUSZMU-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP C#CCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276978747 1300635087 /nfs/dbraw/zinc/63/50/87/1300635087.db2.gz RBWLCSMPIYSZPC-AZUAARDMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001102596391 1301270128 /nfs/dbraw/zinc/27/01/28/1301270128.db2.gz CTIJFJAFNMSUPL-QWFCFKBJSA-N 2 0 345.531 2.370 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994129 1302039984 /nfs/dbraw/zinc/03/99/84/1302039984.db2.gz RTOJVEOZSGKCFI-BHIYHBOVSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162974 1302362597 /nfs/dbraw/zinc/36/25/97/1302362597.db2.gz SBQRXQDGJBILOQ-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905356 1303538210 /nfs/dbraw/zinc/53/82/10/1303538210.db2.gz GJQYVYHGDGVYJI-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277633168 1304046029 /nfs/dbraw/zinc/04/60/29/1304046029.db2.gz BYBQOKBHDMBRQL-WBVHZDCISA-N 2 0 332.879 2.279 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCCC1 ZINC001115559780 1305359467 /nfs/dbraw/zinc/35/94/67/1305359467.db2.gz IKSQNOVDPSPPKS-UHFFFAOYSA-N 2 0 333.501 2.465 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696060 1305629747 /nfs/dbraw/zinc/62/97/47/1305629747.db2.gz DQVZXFRZKSHEAO-UHFFFAOYSA-N 2 0 331.460 2.387 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121861797 1310157181 /nfs/dbraw/zinc/15/71/81/1310157181.db2.gz XLKGWPSKLVIHFT-QAELIBMJSA-N 2 0 331.504 2.290 20 30 EEEDRP C=CCCCCCC[C@H](O)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246060958 1310227663 /nfs/dbraw/zinc/22/76/63/1310227663.db2.gz WDDDYWFQIVTCDB-OALUTQOASA-N 2 0 325.541 2.490 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2ccccc2F)CCN1 ZINC001246445978 1310313572 /nfs/dbraw/zinc/31/35/72/1310313572.db2.gz AWPSALRQIKSOQD-TXPKVOOTSA-N 2 0 330.451 2.490 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2cccc(F)c2)CCN1 ZINC001246450826 1310314394 /nfs/dbraw/zinc/31/43/94/1310314394.db2.gz LZVYHXDJJUTIDN-CEXWTWQISA-N 2 0 330.451 2.490 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001149946776 1316099320 /nfs/dbraw/zinc/09/93/20/1316099320.db2.gz PEJIVJHIUTUJFE-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001151327572 1316505153 /nfs/dbraw/zinc/50/51/53/1316505153.db2.gz ZPEILBRXYUVAPL-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001152330688 1316657703 /nfs/dbraw/zinc/65/77/03/1316657703.db2.gz SFBYJQDEQKBMBB-LJQANCHMSA-N 2 0 327.472 2.189 20 30 EEEDRP N#Cc1cc(Nc2ccc3c(c2)CC[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001159743035 1319976438 /nfs/dbraw/zinc/97/64/38/1319976438.db2.gz RQGDYVGIASCNIL-UHFFFAOYSA-N 2 0 333.439 2.357 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001160266553 1320116586 /nfs/dbraw/zinc/11/65/86/1320116586.db2.gz FKAWPAQOXVMGFY-QGZVFWFLSA-N 2 0 346.450 2.168 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001160826698 1320281390 /nfs/dbraw/zinc/28/13/90/1320281390.db2.gz MXQJSRLPGSBFLM-UHFFFAOYSA-N 2 0 340.471 2.030 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160952298 1320329868 /nfs/dbraw/zinc/32/98/68/1320329868.db2.gz ZUVLIGQQDYNQKC-UHFFFAOYSA-N 2 0 341.540 2.411 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001161212814 1320421694 /nfs/dbraw/zinc/42/16/94/1320421694.db2.gz BAWUISAARAZQMG-FQEVSTJZSA-N 2 0 349.494 2.361 20 30 EEEDRP CC(C)(C)CN(C(=O)[C@@H]([NH3+])Cc1ccccc1C#N)C1CC[NH2+]CC1 ZINC001161258930 1320437666 /nfs/dbraw/zinc/43/76/66/1320437666.db2.gz RRRQKYCKENYSID-SFHVURJKSA-N 2 0 342.487 2.055 20 30 EEEDRP N#Cc1c2c(cnc1N1CCC([NH3+])(CC3CCC3)CC1)C[NH2+]CCC2 ZINC001161569667 1320541999 /nfs/dbraw/zinc/54/19/99/1320541999.db2.gz ORSCDVQVQJDKHT-UHFFFAOYSA-N 2 0 339.487 2.477 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001162840777 1320971663 /nfs/dbraw/zinc/97/16/63/1320971663.db2.gz AFJOTNRNJINTLB-IBGZPJMESA-N 2 0 329.488 2.318 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977968 1321003298 /nfs/dbraw/zinc/00/32/98/1321003298.db2.gz ZXQUGQLHVPKLFB-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC001163833847 1321229249 /nfs/dbraw/zinc/22/92/49/1321229249.db2.gz SMALQSGHRMGYDM-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001164449267 1321381616 /nfs/dbraw/zinc/38/16/16/1321381616.db2.gz GKEUJKQAANRLHM-IBGZPJMESA-N 2 0 342.487 2.276 20 30 EEEDRP C=CCC[NH2+]CC1(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001165877948 1321605247 /nfs/dbraw/zinc/60/52/47/1321605247.db2.gz DSFWIKMTOPWTDE-UHFFFAOYSA-N 2 0 330.476 2.360 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](CC)CC ZINC001166424589 1321717080 /nfs/dbraw/zinc/71/70/80/1321717080.db2.gz KPXBMKPQCZKLSO-GOSISDBHSA-N 2 0 348.466 2.414 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001166667978 1321761129 /nfs/dbraw/zinc/76/11/29/1321761129.db2.gz NCCAGIHEIOMMNE-INIZCTEOSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1F ZINC001205664226 1323234876 /nfs/dbraw/zinc/23/48/76/1323234876.db2.gz NSIFICJBMKJVSY-FUHWJXTLSA-N 2 0 333.451 2.238 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206274882 1323444017 /nfs/dbraw/zinc/44/40/17/1323444017.db2.gz MOYLRIBPODJDAA-IBGZPJMESA-N 2 0 337.483 2.050 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406635 1338347209 /nfs/dbraw/zinc/34/72/09/1338347209.db2.gz FWONCCYURAPHMR-GPANFISMSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200722546 1338550505 /nfs/dbraw/zinc/55/05/05/1338550505.db2.gz ZNJJNSZETYHQIK-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001576048843 1343954534 /nfs/dbraw/zinc/95/45/34/1343954534.db2.gz AFPYTLXSAMECQX-OAHLLOKOSA-N 2 0 349.438 2.180 20 30 EEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCc3ccccc3)C2)C1 ZINC001121790795 1371923352 /nfs/dbraw/zinc/92/33/52/1371923352.db2.gz CLWQQYIPAYKDIP-UHFFFAOYSA-N 2 0 341.499 2.364 20 30 EEEDRP C[N@H+](CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001100410904 1373038371 /nfs/dbraw/zinc/03/83/71/1373038371.db2.gz SGBJQGNGQKFTLI-UHFFFAOYSA-N 2 0 346.500 2.088 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001367168770 1374112351 /nfs/dbraw/zinc/11/23/51/1374112351.db2.gz BWWUQLDMFSILSK-SJLPKXTDSA-N 2 0 346.500 2.088 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001367776556 1374258659 /nfs/dbraw/zinc/25/86/59/1374258659.db2.gz OPWTVOJGLIDFOD-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001371545803 1375491636 /nfs/dbraw/zinc/49/16/36/1375491636.db2.gz PQIYHHIIJBYFPH-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374826112 1377098096 /nfs/dbraw/zinc/09/80/96/1377098096.db2.gz CADWXOQWTJKHQN-CYBMUJFWSA-N 2 0 346.313 2.110 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001390265726 1388545234 /nfs/dbraw/zinc/54/52/34/1388545234.db2.gz MUPDTIXQQZZKJK-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001377000302 1378909696 /nfs/dbraw/zinc/90/96/96/1378909696.db2.gz UFXFXFGHCGOJJS-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001377002966 1378911328 /nfs/dbraw/zinc/91/13/28/1378911328.db2.gz XUYHAXFMLXKNAA-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001378789289 1380175642 /nfs/dbraw/zinc/17/56/42/1380175642.db2.gz LZZOQFJXNZMSTG-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001379186527 1380624642 /nfs/dbraw/zinc/62/46/42/1380624642.db2.gz ZQQWLYRXMLLXKZ-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001393039526 1390290175 /nfs/dbraw/zinc/29/01/75/1390290175.db2.gz QSFIEPDGSDGCNZ-GJZGRUSLSA-N 2 0 348.516 2.431 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCC[NH+]1C ZINC001393612611 1390493381 /nfs/dbraw/zinc/49/33/81/1390493381.db2.gz HRPKGNROENJKOJ-GOSISDBHSA-N 2 0 346.450 2.072 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001393881495 1390574527 /nfs/dbraw/zinc/57/45/27/1390574527.db2.gz GMOPIDWUSPLHTP-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001394672816 1390735900 /nfs/dbraw/zinc/73/59/00/1390735900.db2.gz SNDOPLCCIUHBJS-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCCC2CCCC2)CC1 ZINC001753074718 1406666726 /nfs/dbraw/zinc/66/67/26/1406666726.db2.gz RSZRJTWHLXCGOT-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001402409611 1397984361 /nfs/dbraw/zinc/98/43/61/1397984361.db2.gz AKULOTRAPWWIQX-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001755116670 1407127254 /nfs/dbraw/zinc/12/72/54/1407127254.db2.gz SHUZSMZWDHBFBY-PKOBYXMFSA-N 2 0 329.488 2.174 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]CC#Cc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001755658162 1407709344 /nfs/dbraw/zinc/70/93/44/1407709344.db2.gz GJOFTKDNQYEZBS-CRAIPNDOSA-N 2 0 347.890 2.222 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087828849 782322555 /nfs/dbraw/zinc/32/25/55/782322555.db2.gz XFPSHNUHTGHBFW-XOKHGSTOSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001167232918 757537195 /nfs/dbraw/zinc/53/71/95/757537195.db2.gz UPMGXVQMPPWFRV-UHFFFAOYSA-N 2 0 341.499 2.304 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104803964 765313109 /nfs/dbraw/zinc/31/31/09/765313109.db2.gz CQMRLWZFHXRFDU-GUDVDZBRSA-N 2 0 335.536 2.450 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967820 782664340 /nfs/dbraw/zinc/66/43/40/782664340.db2.gz NMKQVMTWVMRYST-QYZOEREBSA-N 2 0 331.504 2.075 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527620 770119079 /nfs/dbraw/zinc/11/90/79/770119079.db2.gz RFGICFCMJAREMJ-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673576 770867700 /nfs/dbraw/zinc/86/77/00/770867700.db2.gz OJGORQCTXIYONG-MRXNPFEDSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979710261 770921839 /nfs/dbraw/zinc/92/18/39/770921839.db2.gz KDJSKBRYSCCWHT-RCCFBDPRSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070903 773472805 /nfs/dbraw/zinc/47/28/05/773472805.db2.gz SZWCLPDMZJDFMU-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660529 774043685 /nfs/dbraw/zinc/04/36/85/774043685.db2.gz KRMCIHYUVNQRGN-IRXDYDNUSA-N 2 0 342.487 2.076 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC000980477197 774700786 /nfs/dbraw/zinc/70/07/86/774700786.db2.gz CMKVNXYZCUTCBZ-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)CCCCC1 ZINC001131793741 783227421 /nfs/dbraw/zinc/22/74/21/783227421.db2.gz ACUUVEXYDFMEMJ-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981812894 778258874 /nfs/dbraw/zinc/25/88/74/778258874.db2.gz XOPRFPBYOIPZGL-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403885 780015166 /nfs/dbraw/zinc/01/51/66/780015166.db2.gz ZQFBNDZMMZGCGU-RLLQIKCJSA-N 2 0 331.504 2.217 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995210903 781883412 /nfs/dbraw/zinc/88/34/12/781883412.db2.gz MDXJHESVOUBODC-VQIMIIECSA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@H+](CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC001131815486 783299056 /nfs/dbraw/zinc/29/90/56/783299056.db2.gz FSDOIGUNCKIPQH-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001135370752 783659266 /nfs/dbraw/zinc/65/92/66/783659266.db2.gz AIOCBIQZXILYEQ-HZPDHXFCSA-N 2 0 333.451 2.002 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192536 784079466 /nfs/dbraw/zinc/07/94/66/784079466.db2.gz LQXCVFBCQKSNJY-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CCC)C3)CC2)CC1 ZINC001035255869 784262448 /nfs/dbraw/zinc/26/24/48/784262448.db2.gz AKISYNPFEQQMHH-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C[C@H](C)CC)C3)CC2)CC1 ZINC001035856360 785296367 /nfs/dbraw/zinc/29/63/67/785296367.db2.gz MICPGQLXFPREFR-GOSISDBHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001036257853 786116087 /nfs/dbraw/zinc/11/60/87/786116087.db2.gz NDZYOMVBQVFBLZ-WFASDCNBSA-N 2 0 336.867 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001036600323 786850842 /nfs/dbraw/zinc/85/08/42/786850842.db2.gz YNEUAIUHPHVSBB-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593756 787805125 /nfs/dbraw/zinc/80/51/25/787805125.db2.gz VHRQDDUDUJMQTB-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646871 787997938 /nfs/dbraw/zinc/99/79/38/787997938.db2.gz ZLQXYONJILKBON-SVFBPWRDSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859367 788822456 /nfs/dbraw/zinc/82/24/56/788822456.db2.gz RLYKUGNCBUWPHO-INDMIFKZSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c(OC)c1 ZINC000923346864 789424846 /nfs/dbraw/zinc/42/48/46/789424846.db2.gz WIPCMJVOGYITDA-KSZLIROESA-N 2 0 348.487 2.223 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923376155 789458744 /nfs/dbraw/zinc/45/87/44/789458744.db2.gz UVLONBNRJKWUIZ-BPQIPLTHSA-N 2 0 348.487 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF)CC1 ZINC001146613925 791376694 /nfs/dbraw/zinc/37/66/94/791376694.db2.gz VLWKKPDSULBBRC-IRXDYDNUSA-N 2 0 339.499 2.344 20 30 EEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000998043833 791875239 /nfs/dbraw/zinc/87/52/39/791875239.db2.gz BZKZTVSFJMEFCI-INIZCTEOSA-N 2 0 346.475 2.076 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647514 792046189 /nfs/dbraw/zinc/04/61/89/792046189.db2.gz IYKZIDWELHDNDP-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924462 792996596 /nfs/dbraw/zinc/99/65/96/792996596.db2.gz SYIHQUVJHHVESQ-RCCFBDPRSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925306 792999008 /nfs/dbraw/zinc/99/90/08/792999008.db2.gz RZDBZLSLCOUGHS-GBESFXJTSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992301044 793575481 /nfs/dbraw/zinc/57/54/81/793575481.db2.gz NRCUJEDDNUHPQJ-QWFCFKBJSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364978 793821554 /nfs/dbraw/zinc/82/15/54/793821554.db2.gz BNSOKQJIANWQNG-AZUAARDMSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854791 794417583 /nfs/dbraw/zinc/41/75/83/794417583.db2.gz XRPUTHILMHFQOY-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992504040 794433004 /nfs/dbraw/zinc/43/30/04/794433004.db2.gz GAWCYIOWCOLCCO-PZJWPPBQSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC000992504081 794433228 /nfs/dbraw/zinc/43/32/28/794433228.db2.gz GBUVPUYQPQMXKV-CTNGQTDRSA-N 2 0 343.515 2.411 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506695 794446543 /nfs/dbraw/zinc/44/65/43/794446543.db2.gz JSQFJMQIJKEWPA-UYAOXDASSA-N 2 0 329.488 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506676 794447208 /nfs/dbraw/zinc/44/72/08/794447208.db2.gz JSQFJMQIJKEWPA-ICSRJNTNSA-N 2 0 329.488 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001093224463 794879417 /nfs/dbraw/zinc/87/94/17/794879417.db2.gz XSHOMROQHIWFSX-IEBWSBKVSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093369761 795099642 /nfs/dbraw/zinc/09/96/42/795099642.db2.gz GJVKDFKWXXOFJP-QRQLOZEOSA-N 2 0 343.515 2.053 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1CC)CCO2 ZINC001093413059 795155101 /nfs/dbraw/zinc/15/51/01/795155101.db2.gz IKABFUKMFVQRDD-QPIRBTGLSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC(C)C)C2)CC1 ZINC001036904942 796448336 /nfs/dbraw/zinc/44/83/36/796448336.db2.gz ZWOKXKJSDZOALD-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993617480 796843880 /nfs/dbraw/zinc/84/38/80/796843880.db2.gz CSNPIYMHKHOQLQ-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000324495789 796857054 /nfs/dbraw/zinc/85/70/54/796857054.db2.gz PQTQIUROSIOTHG-MRXNPFEDSA-N 2 0 330.476 2.266 20 30 EEEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172989114 797182703 /nfs/dbraw/zinc/18/27/03/797182703.db2.gz NASQQXDMCFMIPI-QZWWFDLISA-N 2 0 348.491 2.162 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001094999573 797211114 /nfs/dbraw/zinc/21/11/14/797211114.db2.gz IVYBGNNLCSTBFH-JYJNAYRXSA-N 2 0 339.911 2.440 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862857 797479149 /nfs/dbraw/zinc/47/91/49/797479149.db2.gz VMPSQSMIXXUGKK-OPYAIIAOSA-N 2 0 341.499 2.171 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862655 797479699 /nfs/dbraw/zinc/47/96/99/797479699.db2.gz NOQVAWKIHPALBL-HLIPFELVSA-N 2 0 329.488 2.334 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564532 806589908 /nfs/dbraw/zinc/58/99/08/806589908.db2.gz ZKVVYCVLFSMWRT-YJBOKZPZSA-N 2 0 337.895 2.053 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176368208 798443280 /nfs/dbraw/zinc/44/32/80/798443280.db2.gz PXYSQCZVNVBPPN-WBVHZDCISA-N 2 0 327.900 2.489 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849757 798504127 /nfs/dbraw/zinc/50/41/27/798504127.db2.gz SBYLIMBBORUQGP-RTBURBONSA-N 2 0 327.472 2.471 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001176884902 798613134 /nfs/dbraw/zinc/61/31/34/798613134.db2.gz VCASQHBMCUWNMN-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCC2CCCC2)CC1 ZINC001176926119 798630166 /nfs/dbraw/zinc/63/01/66/798630166.db2.gz GYUVCVUHEKRKNA-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108050903 798636262 /nfs/dbraw/zinc/63/62/62/798636262.db2.gz BPZXRAAXDANTJR-LJQANCHMSA-N 2 0 342.443 2.121 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001177394538 798917601 /nfs/dbraw/zinc/91/76/01/798917601.db2.gz IZCSCRLHBJXBTI-HKUYNNGSSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001179565747 799976857 /nfs/dbraw/zinc/97/68/57/799976857.db2.gz WJGAGUJTPNOCKT-SFHVURJKSA-N 2 0 339.524 2.023 20 30 EEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001179539127 799982528 /nfs/dbraw/zinc/98/25/28/799982528.db2.gz PGYAPRULYHARAG-HOCLYGCPSA-N 2 0 332.448 2.039 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346479 801129545 /nfs/dbraw/zinc/12/95/45/801129545.db2.gz RJABELBMICVLJI-WSTZPKSXSA-N 2 0 333.520 2.206 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183040556 801436050 /nfs/dbraw/zinc/43/60/50/801436050.db2.gz SSZSOIVQZVETLW-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592324 801681193 /nfs/dbraw/zinc/68/11/93/801681193.db2.gz HTYDOTWLIMEQCV-IYWMVGAKSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184702469 802137552 /nfs/dbraw/zinc/13/75/52/802137552.db2.gz YSOFBRXVHRPNDN-RDJZCZTQSA-N 2 0 338.455 2.354 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004600818 802460569 /nfs/dbraw/zinc/46/05/69/802460569.db2.gz MPFCUBLOLPELLE-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349472 803336967 /nfs/dbraw/zinc/33/69/67/803336967.db2.gz HDYAZSFSNXRNPK-IEBWSBKVSA-N 2 0 339.524 2.280 20 30 EEEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001169127383 803622889 /nfs/dbraw/zinc/62/28/89/803622889.db2.gz NGKDTENOOXDPTM-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711353 804396424 /nfs/dbraw/zinc/39/64/24/804396424.db2.gz GOKLUQOATYECQL-BZSNNMDCSA-N 2 0 331.504 2.408 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827791 804570871 /nfs/dbraw/zinc/57/08/71/804570871.db2.gz BFXHZDCDYDLQBP-FHWLQOOXSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289943 805251728 /nfs/dbraw/zinc/25/17/28/805251728.db2.gz RXYJSHAXPKZRQN-SQNIBIBYSA-N 2 0 349.519 2.175 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001436996751 1088735462 /nfs/dbraw/zinc/73/54/62/1088735462.db2.gz KSXCYONLOPMIFJ-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC001438527972 1091020614 /nfs/dbraw/zinc/02/06/14/1091020614.db2.gz GOWWJFOPXMAFMA-INIZCTEOSA-N 2 0 344.503 2.378 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553370 1091045684 /nfs/dbraw/zinc/04/56/84/1091045684.db2.gz QGNIMJWUXVEXFR-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444372647 1098944677 /nfs/dbraw/zinc/94/46/77/1098944677.db2.gz FTSORWNUTDBDFT-MRXNPFEDSA-N 2 0 342.487 2.132 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001496479447 1101071132 /nfs/dbraw/zinc/07/11/32/1101071132.db2.gz BOQWALLXQJGRGW-BBRMVZONSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001494197446 1103682304 /nfs/dbraw/zinc/68/23/04/1103682304.db2.gz WVISJPCMKDLOEM-GDBMZVCRSA-N 2 0 327.900 2.250 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713164 1106940191 /nfs/dbraw/zinc/94/01/91/1106940191.db2.gz ZJBLMCQYWFJHET-MOPGFXCFSA-N 2 0 342.487 2.417 20 30 EEEDRP C[N@H+](CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC001498770790 1108069033 /nfs/dbraw/zinc/06/90/33/1108069033.db2.gz QZFVXRTWFXKFLZ-IBGZPJMESA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001524380421 1120085236 /nfs/dbraw/zinc/08/52/36/1120085236.db2.gz UOOBHRVBDYEMPV-INIZCTEOSA-N 2 0 346.523 2.194 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602563 781922540 /nfs/dbraw/zinc/92/25/40/781922540.db2.gz URKBBXBOMNIMQG-IPMKNSEASA-N 2 0 331.504 2.386 20 30 EEEDRP CC(C)[C@@H](CNC(=O)N1CCn2ccnc2C1)[NH+]1CCC(C)CC1 ZINC000329817852 539784771 /nfs/dbraw/zinc/78/47/71/539784771.db2.gz FYRZQTVPFUXDQB-MRXNPFEDSA-N 2 0 333.480 2.369 20 30 EEEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@@H](C)O1 ZINC000191280221 152246773 /nfs/dbraw/zinc/24/67/73/152246773.db2.gz RYXULQKGNLPZKH-HZPDHXFCSA-N 2 0 330.476 2.218 20 30 EEEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119034807 462869518 /nfs/dbraw/zinc/86/95/18/462869518.db2.gz ANNRIZKPSSMYOT-MRXNPFEDSA-N 2 0 340.475 2.178 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491619697 468361208 /nfs/dbraw/zinc/36/12/08/468361208.db2.gz MMODBIUPLDLZQJ-HKUYNNGSSA-N 2 0 327.472 2.016 20 30 EEEDRP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261978860 463916234 /nfs/dbraw/zinc/91/62/34/463916234.db2.gz OINGBXZBMLNLJA-ZFWWWQNUSA-N 2 0 348.520 2.180 20 30 EEEDRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918781 468433466 /nfs/dbraw/zinc/43/34/66/468433466.db2.gz IVTUCDHGHMANNP-RTBURBONSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553044 468483502 /nfs/dbraw/zinc/48/35/02/468483502.db2.gz YCOFUCARMCNXTP-HNNXBMFYSA-N 2 0 326.448 2.345 20 30 EEEDRP C[NH+]1CCC(N2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC1 ZINC000367516869 466387125 /nfs/dbraw/zinc/38/71/25/466387125.db2.gz HPXWQMZSIATADT-JTQLQIEISA-N 2 0 325.869 2.249 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000424136329 466986513 /nfs/dbraw/zinc/98/65/13/466986513.db2.gz NUBIWTSIQSJRRU-SFHVURJKSA-N 2 0 328.460 2.310 20 30 EEEDRP N#Cc1cccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000377510467 467076580 /nfs/dbraw/zinc/07/65/80/467076580.db2.gz GFMNURCNGQXFOJ-UHFFFAOYSA-N 2 0 343.471 2.371 20 30 EEEDRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722503 468634908 /nfs/dbraw/zinc/63/49/08/468634908.db2.gz GLHRFAQADFIDMU-SJLPKXTDSA-N 2 0 333.476 2.254 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000609133594 469894703 /nfs/dbraw/zinc/89/47/03/469894703.db2.gz YNYZXAHKCXPFQI-UHFFFAOYSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727468 782140651 /nfs/dbraw/zinc/14/06/51/782140651.db2.gz ZFCWURKGKZMBDM-HDMKZQKVSA-N 2 0 325.472 2.354 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001423449555 1187032643 /nfs/dbraw/zinc/03/26/43/1187032643.db2.gz JNLDZPJHBUVFBQ-UONOGXRCSA-N 2 0 346.313 2.206 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969214185 674710196 /nfs/dbraw/zinc/71/01/96/674710196.db2.gz YITDGRHHAQHMLC-GOSISDBHSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707793 676366832 /nfs/dbraw/zinc/36/68/32/676366832.db2.gz YGKZWIJSRMJFNW-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370318 676853824 /nfs/dbraw/zinc/85/38/24/676853824.db2.gz FOLWYOOUTDRXRV-HDICACEKSA-N 2 0 345.406 2.257 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000972267140 678470824 /nfs/dbraw/zinc/47/08/24/678470824.db2.gz SMCUTHZSEVARAK-RBUKOAKNSA-N 2 0 342.487 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001023128022 679135821 /nfs/dbraw/zinc/13/58/21/679135821.db2.gz MXOFOLHTHAPBKS-HCABLIJQSA-N 2 0 345.531 2.395 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028600802 681347463 /nfs/dbraw/zinc/34/74/63/681347463.db2.gz DLUUBWUETPJTKI-UXHICEINSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+]2CCF)CC1 ZINC001025302124 682407784 /nfs/dbraw/zinc/40/77/84/682407784.db2.gz RWCPOWPHBLSHMF-MOPGFXCFSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301264 682414401 /nfs/dbraw/zinc/41/44/01/682414401.db2.gz IMXFPTDSVKLDHO-OALUTQOASA-N 2 0 331.504 2.341 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3cnc(C)c3)C[C@@H]21 ZINC000992724547 683305869 /nfs/dbraw/zinc/30/58/69/683305869.db2.gz DDVHIKXVLBEEOU-IXDOHACOSA-N 2 0 330.476 2.329 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC001026605057 684781673 /nfs/dbraw/zinc/78/16/73/684781673.db2.gz CQAGXOFJMOBVKK-NFOMZHRRSA-N 2 0 346.500 2.088 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC000986348848 688521843 /nfs/dbraw/zinc/52/18/43/688521843.db2.gz BNGHWYHUDPRFAV-MLGOLLRUSA-N 2 0 343.456 2.055 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001268084415 1181701240 /nfs/dbraw/zinc/70/12/40/1181701240.db2.gz FCNLMYZHJPUAEB-YJBOKZPZSA-N 2 0 349.906 2.468 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001105461958 1187526477 /nfs/dbraw/zinc/52/64/77/1187526477.db2.gz CPUHUZCUMIOEDN-QPIRBTGLSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001105487201 1188103666 /nfs/dbraw/zinc/10/36/66/1188103666.db2.gz UWDYUJGMFDVPAV-UHFFFAOYSA-N 2 0 349.519 2.178 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC3CC(C)C3)CC2)CC1 ZINC001168307913 1188279142 /nfs/dbraw/zinc/27/91/42/1188279142.db2.gz MJMDHCXXOXOGEI-UHFFFAOYSA-N 2 0 345.531 2.254 20 30 EEEDRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccccc1C#N ZINC001485896317 1193631656 /nfs/dbraw/zinc/63/16/56/1193631656.db2.gz WHKQCCUHNKYZEA-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001483296570 1190323447 /nfs/dbraw/zinc/32/34/47/1190323447.db2.gz KZJCYPIDNJUEGE-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955231 1195556420 /nfs/dbraw/zinc/55/64/20/1195556420.db2.gz WYOUJHZOWXHVAK-HXUWFJFHSA-N 2 0 341.499 2.350 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503928 1195738012 /nfs/dbraw/zinc/73/80/12/1195738012.db2.gz LOVHXQYVGOYKDM-IBGZPJMESA-N 2 0 331.504 2.340 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C(C)(C)C)n1 ZINC000120463797 1198143388 /nfs/dbraw/zinc/14/33/88/1198143388.db2.gz OWMPAHIEOSRAPP-CQSZACIVSA-N 2 0 337.537 2.372 20 30 EEEDRP CCCCCCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021181 1199239723 /nfs/dbraw/zinc/23/97/23/1199239723.db2.gz UCLRMMXSSMKFSP-QGZVFWFLSA-N 2 0 327.513 2.164 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406514 1199664933 /nfs/dbraw/zinc/66/49/33/1199664933.db2.gz KIRAZUWGPMIKMO-SJORKVTESA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001134613934 1199690525 /nfs/dbraw/zinc/69/05/25/1199690525.db2.gz YYGYXYQCQFHXHS-CVEARBPZSA-N 2 0 342.487 2.415 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001134758964 1199795313 /nfs/dbraw/zinc/79/53/13/1199795313.db2.gz DBEOACVESSCDNM-IBGZPJMESA-N 2 0 345.462 2.146 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133250324 1200642771 /nfs/dbraw/zinc/64/27/71/1200642771.db2.gz SZIJPEQIWJBYIJ-APWZRJJASA-N 2 0 333.520 2.369 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001133410663 1200880009 /nfs/dbraw/zinc/88/00/09/1200880009.db2.gz UJIXSDACYAQTQL-KRWDZBQOSA-N 2 0 347.890 2.233 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000871187350 1201091819 /nfs/dbraw/zinc/09/18/19/1201091819.db2.gz CZEAGHGCENWQDH-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP CN1CC[NH+](C2CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000879592535 1201162761 /nfs/dbraw/zinc/16/27/61/1201162761.db2.gz KIYPEEDDLXSGHW-UHFFFAOYSA-N 2 0 331.891 2.403 20 30 EEEDRP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043190 1204344582 /nfs/dbraw/zinc/34/45/82/1204344582.db2.gz MYJRGPNDKVVYNC-HXUWFJFHSA-N 2 0 340.471 2.232 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110858578 1204928498 /nfs/dbraw/zinc/92/84/98/1204928498.db2.gz GQRLQZCMRBYZOV-QRVBRYPASA-N 2 0 331.504 2.386 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cn[nH]c2)CC3)cc1C#N ZINC001275211953 1205281886 /nfs/dbraw/zinc/28/18/86/1205281886.db2.gz KFKQUDRDCUTGRI-UHFFFAOYSA-N 2 0 338.459 2.108 20 30 EEEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001275290527 1205299711 /nfs/dbraw/zinc/29/97/11/1205299711.db2.gz PYMWIVJOGXUGLT-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000948038958 1208834290 /nfs/dbraw/zinc/83/42/90/1208834290.db2.gz CRAMYVLGSUMCNQ-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCC[NH+]=C(N(C)C)N(C)C)CC2)c1 ZINC000303911948 1213923493 /nfs/dbraw/zinc/92/34/93/1213923493.db2.gz ZYDAOCKOWUGJNO-UHFFFAOYSA-N 2 0 345.535 2.376 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550407 1215202622 /nfs/dbraw/zinc/20/26/22/1215202622.db2.gz ZGPJBESOLWTPQC-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957602790 1215247846 /nfs/dbraw/zinc/24/78/46/1215247846.db2.gz FNIYNDMMMVWAKO-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000304810580 1216107398 /nfs/dbraw/zinc/10/73/98/1216107398.db2.gz WMCJSSTUNFJCRB-HNNXBMFYSA-N 2 0 330.476 2.160 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cc1ccc(OC)cc1 ZINC000305701461 1216989804 /nfs/dbraw/zinc/98/98/04/1216989804.db2.gz PRBTWUIBFSVIDS-WBVHZDCISA-N 2 0 332.492 2.262 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202038 1217086453 /nfs/dbraw/zinc/08/64/53/1217086453.db2.gz PGSFFGSJSWWWIZ-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227292 1217098461 /nfs/dbraw/zinc/09/84/61/1217098461.db2.gz DZGMCQGWBDGYKN-IAGOWNOFSA-N 2 0 343.471 2.149 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025105 1221749282 /nfs/dbraw/zinc/74/92/82/1221749282.db2.gz KPNAJEUCKSAOMH-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492132 1222257932 /nfs/dbraw/zinc/25/79/32/1222257932.db2.gz LMXDOQLGZXVRBT-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009679019 1223329958 /nfs/dbraw/zinc/32/99/58/1223329958.db2.gz BUQCLYWEOLLGCZ-INIZCTEOSA-N 2 0 331.460 2.339 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016661609 1226744691 /nfs/dbraw/zinc/74/46/91/1226744691.db2.gz GXUWWICHKSVVEE-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001019812274 1229359033 /nfs/dbraw/zinc/35/90/33/1229359033.db2.gz GQFVLNMADHEJSI-HNNXBMFYSA-N 2 0 346.500 2.186 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224911 1230456512 /nfs/dbraw/zinc/45/65/12/1230456512.db2.gz KSMMDXBAURBPJL-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228613 1230461434 /nfs/dbraw/zinc/46/14/34/1230461434.db2.gz GLUTZWYYNUEIDS-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314017 1231165016 /nfs/dbraw/zinc/16/50/16/1231165016.db2.gz QNDSJTWZZPMHFI-ICSRJNTNSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040911228 1231402502 /nfs/dbraw/zinc/40/25/02/1231402502.db2.gz AGOOFSXISRUCDO-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040935604 1231406322 /nfs/dbraw/zinc/40/63/22/1231406322.db2.gz CJMPXDCTCXCFPR-HNNXBMFYSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845953 1231728943 /nfs/dbraw/zinc/72/89/43/1231728943.db2.gz TXDDSUBHNXXJSA-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366358 1232048807 /nfs/dbraw/zinc/04/88/07/1232048807.db2.gz VFZZJKLBYDENSE-IEBWSBKVSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=C)Cl)C[C@H]2C)CC1 ZINC001044871474 1233331905 /nfs/dbraw/zinc/33/19/05/1233331905.db2.gz KWWUMKWKWIPLJN-NVXWUHKLSA-N 2 0 337.895 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001045321208 1233667017 /nfs/dbraw/zinc/66/70/17/1233667017.db2.gz GRVYOXYGZOZGJL-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)CC1 ZINC001045646306 1233880071 /nfs/dbraw/zinc/88/00/71/1233880071.db2.gz FPYYGRZVCRTKIN-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045980398 1234271112 /nfs/dbraw/zinc/27/11/12/1234271112.db2.gz XLWQYUBGWXYKDM-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986073 1234281826 /nfs/dbraw/zinc/28/18/26/1234281826.db2.gz GRHNTRXORILWDG-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(C)C)C3)CC1 ZINC001047208681 1235672366 /nfs/dbraw/zinc/67/23/66/1235672366.db2.gz JSAQHJJTUDLJAC-IHPCNDPISA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047230939 1235707399 /nfs/dbraw/zinc/70/73/99/1235707399.db2.gz ITCSUOQKOQQHPS-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047263954 1235775203 /nfs/dbraw/zinc/77/52/03/1235775203.db2.gz LUPYETYSZYJPKI-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578054 1238008739 /nfs/dbraw/zinc/00/87/39/1238008739.db2.gz JZMFYLVLZWSAFT-FNLKRUPLSA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000102206 1239877445 /nfs/dbraw/zinc/87/74/45/1239877445.db2.gz ICAPCHVYVDBFQH-ZIAGYGMSSA-N 2 0 346.313 2.062 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566175 1241441367 /nfs/dbraw/zinc/44/13/67/1241441367.db2.gz GYJZHYPOPLTCCZ-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@H+]3C)cccc2C1 ZINC001051292951 1245490382 /nfs/dbraw/zinc/49/03/82/1245490382.db2.gz LSIUPGSXLCIUNR-LJQANCHMSA-N 2 0 327.472 2.331 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051189 1245773305 /nfs/dbraw/zinc/77/33/05/1245773305.db2.gz KSLCYKVSXCZHBA-MOPGFXCFSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054126 1245783303 /nfs/dbraw/zinc/78/33/03/1245783303.db2.gz IEUPYOBEUBGTIP-UXHICEINSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001101541842 1245944101 /nfs/dbraw/zinc/94/41/01/1245944101.db2.gz XHEAWURRJBRUKH-PKOBYXMFSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042102 1247204716 /nfs/dbraw/zinc/20/47/16/1247204716.db2.gz OFWMDLNALIXQRY-NSISKUIASA-N 2 0 341.499 2.446 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135955 1247490463 /nfs/dbraw/zinc/49/04/63/1247490463.db2.gz NAKMZSYNQFHBDE-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243837 1254088638 /nfs/dbraw/zinc/08/86/38/1254088638.db2.gz MAHWBBBCAJONJP-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099357 1254930559 /nfs/dbraw/zinc/93/05/59/1254930559.db2.gz PSKZFUOCRJRBTB-SJLPKXTDSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(=C)C)CC1 ZINC001098462765 1257698354 /nfs/dbraw/zinc/69/83/54/1257698354.db2.gz MFQJGSIIXIUUGE-QRVBRYPASA-N 2 0 329.488 2.019 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519450 1258188403 /nfs/dbraw/zinc/18/84/03/1258188403.db2.gz HXPFNUZRZNCCAP-RDGPPVDQSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709870 1278760620 /nfs/dbraw/zinc/76/06/20/1278760620.db2.gz NIWNHMXPYMKBPH-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187850724 1279674808 /nfs/dbraw/zinc/67/48/08/1279674808.db2.gz HXDMWAMINFRDIO-QZTJIDSGSA-N 2 0 339.524 2.116 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC#Cc3ccccc3)C2)CCC1 ZINC001190644754 1280992146 /nfs/dbraw/zinc/99/21/46/1280992146.db2.gz LRMRNKOXWUHOEL-LJQANCHMSA-N 2 0 339.483 2.055 20 30 EEEDRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC001192163120 1281831528 /nfs/dbraw/zinc/83/15/28/1281831528.db2.gz UILMAKZLPRSTSU-GOSISDBHSA-N 2 0 347.890 2.176 20 30 EEEDRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001214904947 1296645032 /nfs/dbraw/zinc/64/50/32/1296645032.db2.gz QYOXZXRVOKESIO-RLLQIKCJSA-N 2 0 341.499 2.061 20 30 EEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C[C@H]2CCCOC2)CC3)cc1C#N ZINC001276717622 1296719351 /nfs/dbraw/zinc/71/93/51/1296719351.db2.gz ANAIWHQDNNOQEL-QGZVFWFLSA-N 2 0 342.487 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCCC)C[C@H]32)CC1 ZINC001222046674 1299302774 /nfs/dbraw/zinc/30/27/74/1299302774.db2.gz PRFJAUOSLXLLLY-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377318 1300956482 /nfs/dbraw/zinc/95/64/82/1300956482.db2.gz ZGSOGYUNSBRMPZ-IEBWSBKVSA-N 2 0 329.488 2.031 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227302959 1301773388 /nfs/dbraw/zinc/77/33/88/1301773388.db2.gz QNAGVHFJUWTHDL-QZTJIDSGSA-N 2 0 342.443 2.168 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103376378 1302861751 /nfs/dbraw/zinc/86/17/51/1302861751.db2.gz XVHMWRHGBWLVLC-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)CC)CC1 ZINC001230251899 1303128487 /nfs/dbraw/zinc/12/84/87/1303128487.db2.gz PKVBILKGFPMFQQ-BHIYHBOVSA-N 2 0 333.520 2.395 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571937 1305392786 /nfs/dbraw/zinc/39/27/86/1305392786.db2.gz VXAFSMJDXIBOGG-GOSISDBHSA-N 2 0 333.520 2.396 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001277981603 1305561169 /nfs/dbraw/zinc/56/11/69/1305561169.db2.gz NSKXWZRAWPEFAD-UXHICEINSA-N 2 0 341.499 2.205 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448477 1309545198 /nfs/dbraw/zinc/54/51/98/1309545198.db2.gz AQXMCTQTFYWRRS-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001122055346 1310211117 /nfs/dbraw/zinc/21/11/17/1310211117.db2.gz AVSFBVUJLOBIRN-MFLJXGGJSA-N 2 0 339.483 2.114 20 30 EEEDRP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[C@]5(C(=O)OC)C[NH2+]C[C@@H]5[C@H]4C3)C[C@H](C1)C2 ZINC001246856440 1310450820 /nfs/dbraw/zinc/45/08/20/1310450820.db2.gz DXRQKFSYHRWCOT-MADKRUHZSA-N 2 0 344.499 2.452 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001160492402 1320175830 /nfs/dbraw/zinc/17/58/30/1320175830.db2.gz RHTDQDKRYUPTSI-UHFFFAOYSA-N 2 0 349.519 2.059 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240096 1316212559 /nfs/dbraw/zinc/21/25/59/1316212559.db2.gz BOAVSYZRVVVQPI-KRWDZBQOSA-N 2 0 327.513 2.116 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150395678 1316256836 /nfs/dbraw/zinc/25/68/36/1316256836.db2.gz WELAPBKLFQPBAB-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400338 1316822995 /nfs/dbraw/zinc/82/29/95/1316822995.db2.gz OSGGTKNMHPCSCO-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272636 1317033514 /nfs/dbraw/zinc/03/35/14/1317033514.db2.gz JBCDSKOCNWJNMN-OAHLLOKOSA-N 2 0 327.432 2.284 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067390 1317441360 /nfs/dbraw/zinc/44/13/60/1317441360.db2.gz YNIJBBCBGXKLSR-UYAOXDASSA-N 2 0 343.515 2.451 20 30 EEEDRP Cc1cc(C#N)c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)nc1C ZINC001158575778 1319316888 /nfs/dbraw/zinc/31/68/88/1319316888.db2.gz VJVDBRQBIQHECQ-UHFFFAOYSA-N 2 0 327.476 2.223 20 30 EEEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158751020 1319417799 /nfs/dbraw/zinc/41/77/99/1319417799.db2.gz PGLFZHNEZDYDHY-ZWKOTPCHSA-N 2 0 339.524 2.232 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC001159997632 1320045694 /nfs/dbraw/zinc/04/56/94/1320045694.db2.gz VJZFQHUENLWTSK-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020673 1320357064 /nfs/dbraw/zinc/35/70/64/1320357064.db2.gz HOAIIBBUVJVMHW-UHFFFAOYSA-N 2 0 329.444 2.117 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)(COC)CC1 ZINC001162344169 1320831692 /nfs/dbraw/zinc/83/16/92/1320831692.db2.gz ZZRNCLXRRXTNEB-UHFFFAOYSA-N 2 0 349.519 2.036 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001162806979 1320963763 /nfs/dbraw/zinc/96/37/63/1320963763.db2.gz PTZZCDRWIWJHLG-FQEVSTJZSA-N 2 0 341.499 2.153 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001162810119 1320965033 /nfs/dbraw/zinc/96/50/33/1320965033.db2.gz DRUJTMXIRSOCOE-FQEVSTJZSA-N 2 0 341.499 2.175 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001162832248 1320970199 /nfs/dbraw/zinc/97/01/99/1320970199.db2.gz MHAIBEWOXIMHEO-UHFFFAOYSA-N 2 0 341.499 2.155 20 30 EEEDRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001165728383 1321574219 /nfs/dbraw/zinc/57/42/19/1321574219.db2.gz QNJMWMQVYAKDKQ-GOSISDBHSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205648688 1323228598 /nfs/dbraw/zinc/22/85/98/1323228598.db2.gz OYSFMNBRUZHRLQ-FUHWJXTLSA-N 2 0 333.451 2.238 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206079652 1323389397 /nfs/dbraw/zinc/38/93/97/1323389397.db2.gz PJOJARBEVIJJGO-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP Cn1cc(CN2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1C#N ZINC001207104919 1323851626 /nfs/dbraw/zinc/85/16/26/1323851626.db2.gz KPCZLWMGVHOUIG-UYAOXDASSA-N 2 0 342.487 2.077 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049871 1324289166 /nfs/dbraw/zinc/28/91/66/1324289166.db2.gz RRVUELFWNIFHJL-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208771075 1324659976 /nfs/dbraw/zinc/65/99/76/1324659976.db2.gz VUDATXGWSVFWFM-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210217042 1325202894 /nfs/dbraw/zinc/20/28/94/1325202894.db2.gz CHEPVSFKMJNWPS-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502144764 1342193738 /nfs/dbraw/zinc/19/37/38/1342193738.db2.gz CDWYLDDCVXYUMW-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[C@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC001574525551 1343679710 /nfs/dbraw/zinc/67/97/10/1343679710.db2.gz MPQXHAYWDOAJHH-HXUWFJFHSA-N 2 0 343.471 2.491 20 30 EEEDRP C=CCCCn1c([C@H]2CCC[NH2+]C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001574916146 1343711465 /nfs/dbraw/zinc/71/14/65/1343711465.db2.gz RYZYYOYUENFICD-SJORKVTESA-N 2 0 346.523 2.242 20 30 EEEDRP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579185744 1344349429 /nfs/dbraw/zinc/34/94/29/1344349429.db2.gz MELBTUFROBWCHS-IEZWGBDMSA-N 2 0 329.444 2.285 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCCCC1 ZINC001134756492 1367780345 /nfs/dbraw/zinc/78/03/45/1367780345.db2.gz GFLKGYQMKDSZOJ-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001389526128 1388170998 /nfs/dbraw/zinc/17/09/98/1388170998.db2.gz IYAGTJJGPCJJDG-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001365952754 1373783416 /nfs/dbraw/zinc/78/34/16/1373783416.db2.gz JWNPWLMVXIRUNQ-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001391337931 1389277212 /nfs/dbraw/zinc/27/72/12/1389277212.db2.gz ZCYNHAUGWCINRP-MRXNPFEDSA-N 2 0 327.900 2.299 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001391801880 1389613190 /nfs/dbraw/zinc/61/31/90/1389613190.db2.gz OGSJZSUNXVBLES-QUCCMNQESA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001393390125 1390423500 /nfs/dbraw/zinc/42/35/00/1390423500.db2.gz KXDIMNFNTXUOQC-JKSUJKDBSA-N 2 0 327.900 2.442 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1 ZINC001393562630 1390473526 /nfs/dbraw/zinc/47/35/26/1390473526.db2.gz LJHHLPCXZOGUIF-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001402893979 1398262421 /nfs/dbraw/zinc/26/24/21/1398262421.db2.gz ZLXFKAOEYLCPDK-INIZCTEOSA-N 2 0 327.900 2.251 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001403435852 1399806923 /nfs/dbraw/zinc/80/69/23/1399806923.db2.gz SKRZZQDBNQPZIJ-CRAIPNDOSA-N 2 0 330.476 2.129 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001755135571 1407143028 /nfs/dbraw/zinc/14/30/28/1407143028.db2.gz VFWDXZPMCCSHLC-UHFFFAOYSA-N 2 0 341.499 2.351 20 30 EEEDRP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755506913 1407554359 /nfs/dbraw/zinc/55/43/59/1407554359.db2.gz MEFYZVHNNDBMPW-AZUAARDMSA-N 2 0 341.499 2.397 20 30 EEEDRP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755521745 1407581329 /nfs/dbraw/zinc/58/13/29/1407581329.db2.gz PIIGJAFUGVFHOJ-QUCCMNQESA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001075391408 757902173 /nfs/dbraw/zinc/90/21/73/757902173.db2.gz YZZZUVABFBRADK-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203203707 759698340 /nfs/dbraw/zinc/69/83/40/759698340.db2.gz PJYDNPSXZONAOY-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001167626996 760771290 /nfs/dbraw/zinc/77/12/90/760771290.db2.gz IPIZSRDXXHLAQY-LJQANCHMSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458510 760846161 /nfs/dbraw/zinc/84/61/61/760846161.db2.gz IHDCIHNKFWPWMJ-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104804138 765312752 /nfs/dbraw/zinc/31/27/52/765312752.db2.gz SOIQIAIYWYWCGW-GUDVDZBRSA-N 2 0 335.536 2.450 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530369 782631770 /nfs/dbraw/zinc/63/17/70/782631770.db2.gz RAXDAZQCTSBAAF-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105067069 768986716 /nfs/dbraw/zinc/98/67/16/768986716.db2.gz LSAHRDSUFZFFNP-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCC=C)C[C@H]3C2)CC1 ZINC000980258521 774204169 /nfs/dbraw/zinc/20/41/69/774204169.db2.gz WJJXBNWMCSUSBI-XUVXKRRUSA-N 2 0 343.515 2.124 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453993 776595017 /nfs/dbraw/zinc/59/50/17/776595017.db2.gz OLTDDMCHLSAQMH-XJKSGUPXSA-N 2 0 327.900 2.296 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711860 779473683 /nfs/dbraw/zinc/47/36/83/779473683.db2.gz XDQSBUTVJQTQFQ-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403657 780013690 /nfs/dbraw/zinc/01/36/90/780013690.db2.gz XWMUNJXUWMRIPM-SESVDKBCSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327835 783520850 /nfs/dbraw/zinc/52/08/50/783520850.db2.gz XZUQTQJXRIMWMF-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185865970 783938479 /nfs/dbraw/zinc/93/84/79/783938479.db2.gz ZWXMMXRFPYNFII-DLBZAZTESA-N 2 0 330.476 2.093 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C[C@@H](F)CC)C3)CC2)CC1 ZINC001035856309 785296804 /nfs/dbraw/zinc/29/68/04/785296804.db2.gz KXPYVUVLMUXHIY-SFHVURJKSA-N 2 0 349.494 2.004 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1nc2ccccc2s1 ZINC000170906280 791135344 /nfs/dbraw/zinc/13/53/44/791135344.db2.gz FPKODACWCCFYAP-ZDUSSCGKSA-N 2 0 346.504 2.097 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1)[NH+](C)C ZINC000996315684 786254768 /nfs/dbraw/zinc/25/47/68/786254768.db2.gz SQEPKIVMLITYJZ-HOTGVXAUSA-N 2 0 348.516 2.287 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646611 787996321 /nfs/dbraw/zinc/99/63/21/787996321.db2.gz MTXRJNCYFQIKHP-SFHLNBCPSA-N 2 0 345.531 2.491 20 30 EEEDRP CCCC[NH+]=C(NC[C@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912496990 788206235 /nfs/dbraw/zinc/20/62/35/788206235.db2.gz JWAORJGMUDEPGV-INIZCTEOSA-N 2 0 325.545 2.004 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946856622 788780646 /nfs/dbraw/zinc/78/06/46/788780646.db2.gz KOJACMZLLNHSDJ-ZACQAIPSSA-N 2 0 339.911 2.251 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001171162401 789578324 /nfs/dbraw/zinc/57/83/24/789578324.db2.gz XQJNCNZULYUVOA-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CC(=C)C)CC2)CC1 ZINC000997434897 789904816 /nfs/dbraw/zinc/90/48/16/789904816.db2.gz PQVAMKQLDAWBQM-QGZVFWFLSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246225 790195921 /nfs/dbraw/zinc/19/59/21/790195921.db2.gz GEVCNAMCZIXAFB-AWRGBYNESA-N 2 0 327.472 2.002 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001146383434 791255156 /nfs/dbraw/zinc/25/51/56/791255156.db2.gz HEGLQWJIESLFJA-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021765 791845741 /nfs/dbraw/zinc/84/57/41/791845741.db2.gz HMSKTHLKSFMNDL-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098947 792121666 /nfs/dbraw/zinc/12/16/66/792121666.db2.gz ZJRUGHLFOQYYSI-CVEARBPZSA-N 2 0 327.488 2.459 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998189152 792173604 /nfs/dbraw/zinc/17/36/04/792173604.db2.gz LXOKDTHPDCADMO-CVEARBPZSA-N 2 0 327.900 2.394 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330046 792352643 /nfs/dbraw/zinc/35/26/43/792352643.db2.gz RCGCRQXTRKQCEA-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952443 793086376 /nfs/dbraw/zinc/08/63/76/793086376.db2.gz IRKQFXAOVMJXNU-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804524 793275531 /nfs/dbraw/zinc/27/55/31/793275531.db2.gz JSLOMDJHUBCJEE-UTKZUKDTSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943878 793448847 /nfs/dbraw/zinc/44/88/47/793448847.db2.gz HXBSLUQAWOOGNK-GGPKGHCWSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350016 794343353 /nfs/dbraw/zinc/34/33/53/794343353.db2.gz VUBKQZHWCIKOJD-HZPDHXFCSA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508376 794560906 /nfs/dbraw/zinc/56/09/06/794560906.db2.gz HMNTTWOVTRDQFL-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)CC1 ZINC000999876203 795071447 /nfs/dbraw/zinc/07/14/47/795071447.db2.gz ICSNGPIKBYTYRI-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC000992691376 795106921 /nfs/dbraw/zinc/10/69/21/795106921.db2.gz NRSWPKNGPIOIDE-OKZBNKHCSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001112382036 796047214 /nfs/dbraw/zinc/04/72/14/796047214.db2.gz BBPXFXYATOSWAN-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666746 796073615 /nfs/dbraw/zinc/07/36/15/796073615.db2.gz SLHRGGWIEIYDIB-MDZRGWNJSA-N 2 0 339.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC3CC3)C2)CC1 ZINC001036901957 796438938 /nfs/dbraw/zinc/43/89/38/796438938.db2.gz BILSPAHDJSIFLR-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993577217 796805949 /nfs/dbraw/zinc/80/59/49/796805949.db2.gz PUZWRFHMODJRNB-HOCLYGCPSA-N 2 0 325.416 2.036 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295886 798052004 /nfs/dbraw/zinc/05/20/04/798052004.db2.gz KEQLUXXZDNEKHB-QGZVFWFLSA-N 2 0 341.540 2.432 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001176318910 798429180 /nfs/dbraw/zinc/42/91/80/798429180.db2.gz PUGKMXSQRJZEHV-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941038 798566248 /nfs/dbraw/zinc/56/62/48/798566248.db2.gz LMZIZXMBWXPKQM-HBFSDRIKSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941620 798568883 /nfs/dbraw/zinc/56/88/83/798568883.db2.gz TZHYZIKOVUEXSL-QRVBRYPASA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001176926634 798631248 /nfs/dbraw/zinc/63/12/48/798631248.db2.gz QYBQCOWCKVNARH-UHFFFAOYSA-N 2 0 341.499 2.245 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001177348885 798901375 /nfs/dbraw/zinc/90/13/75/798901375.db2.gz PUKJEBIMWNDESG-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634244 799556623 /nfs/dbraw/zinc/55/66/23/799556623.db2.gz QALFLUBQDOBKOR-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001179371068 799903817 /nfs/dbraw/zinc/90/38/17/799903817.db2.gz IWICYADJYRVOKC-INIZCTEOSA-N 2 0 345.915 2.114 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085200256 800237419 /nfs/dbraw/zinc/23/74/19/800237419.db2.gz AOJGMCMLZZMEBV-ARFHVFGLSA-N 2 0 325.884 2.098 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085423253 800482898 /nfs/dbraw/zinc/48/28/98/800482898.db2.gz FNHLURXQPBXHET-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182814431 801359678 /nfs/dbraw/zinc/35/96/78/801359678.db2.gz VJPWVPDKOIDGEW-QWFCFKBJSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001183510483 801633342 /nfs/dbraw/zinc/63/33/42/801633342.db2.gz XZIZOSYRCYFCHG-OXQOHEQNSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184724419 802160971 /nfs/dbraw/zinc/16/09/71/802160971.db2.gz MTKJCMAJQQTITO-ZBFHGGJFSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001184787326 802187717 /nfs/dbraw/zinc/18/77/17/802187717.db2.gz AYXYSPVLNBNRHH-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185293583 802447164 /nfs/dbraw/zinc/44/71/64/802447164.db2.gz HXSNRVNMNXOTGQ-APWZRJJASA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185294350 802447881 /nfs/dbraw/zinc/44/78/81/802447881.db2.gz PHGBRBNAUBMEPQ-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001086278208 802659798 /nfs/dbraw/zinc/65/97/98/802659798.db2.gz LZDBRENSTCIMRG-PUZFROQSSA-N 2 0 345.531 2.396 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071558 802822145 /nfs/dbraw/zinc/82/21/45/802822145.db2.gz GAYUPFBVOKRZKY-ROUUACIJSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071559 802822332 /nfs/dbraw/zinc/82/23/32/802822332.db2.gz GAYUPFBVOKRZKY-ZWKOTPCHSA-N 2 0 339.524 2.016 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108824194 804566712 /nfs/dbraw/zinc/56/67/12/804566712.db2.gz YLRRJCYRHVMNGY-FHWLQOOXSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1)[NH+](C)C ZINC001438595392 1091084051 /nfs/dbraw/zinc/08/40/51/1091084051.db2.gz FAPZGFSBLSUNRI-GOSISDBHSA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438808973 1091420496 /nfs/dbraw/zinc/42/04/96/1091420496.db2.gz TUSMSDXCOMKKCU-MOPGFXCFSA-N 2 0 344.503 2.375 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439675477 1092615801 /nfs/dbraw/zinc/61/58/01/1092615801.db2.gz HWXQOCYXBGTTHA-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480173291 1099751886 /nfs/dbraw/zinc/75/18/86/1099751886.db2.gz DKPHNBBLKZRPBY-JYJNAYRXSA-N 2 0 327.900 2.486 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496078577 1102021536 /nfs/dbraw/zinc/02/15/36/1102021536.db2.gz IISNRPLEMMZDOS-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP CN(CCC#N)C(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000131741311 529870498 /nfs/dbraw/zinc/87/04/98/529870498.db2.gz BGWNSKSWSASJQK-LJQANCHMSA-N 2 0 342.487 2.202 20 30 EEEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)cc1 ZINC000423041938 240340326 /nfs/dbraw/zinc/34/03/26/240340326.db2.gz JYYKIEJFCMZOGI-JFUPDXTOSA-N 2 0 326.444 2.161 20 30 EEEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000447526692 242283773 /nfs/dbraw/zinc/28/37/73/242283773.db2.gz CDFFJUBPCWRFGM-ZWKOTPCHSA-N 2 0 342.491 2.051 20 30 EEEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000265001140 533191109 /nfs/dbraw/zinc/19/11/09/533191109.db2.gz ZQNJKHXSTAFVRX-UHFFFAOYSA-N 2 0 329.488 2.062 20 30 EEEDRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353413836 162554710 /nfs/dbraw/zinc/55/47/10/162554710.db2.gz QQDSKBMXMOWCGV-VQTJNVASSA-N 2 0 326.488 2.407 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000086959031 276095752 /nfs/dbraw/zinc/09/57/52/276095752.db2.gz JGSDHWCEGOZCKW-NXOAAHMSSA-N 2 0 336.524 2.229 20 30 EEEDRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000577484850 320258015 /nfs/dbraw/zinc/25/80/15/320258015.db2.gz MXESAZQRSWJDMO-IBGZPJMESA-N 2 0 345.487 2.400 20 30 EEEDRP CC[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086763964 462580562 /nfs/dbraw/zinc/58/05/62/462580562.db2.gz SVQNUICPNLNZMX-IHBAFOEMSA-N 2 0 348.491 2.058 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000579463497 468362067 /nfs/dbraw/zinc/36/20/67/468362067.db2.gz WBENVGGXFWCWNE-IBGZPJMESA-N 2 0 345.487 2.204 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803809 463866695 /nfs/dbraw/zinc/86/66/95/463866695.db2.gz SAUHLQPFXHCOFG-ZBFHGGJFSA-N 2 0 349.910 2.035 20 30 EEEDRP CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764468 463874988 /nfs/dbraw/zinc/87/49/88/463874988.db2.gz CJUWRPNLQBTULH-BRWVUGGUSA-N 2 0 334.508 2.237 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264058985 464277423 /nfs/dbraw/zinc/27/74/23/464277423.db2.gz BZXGAAFYMSGIGB-HZPDHXFCSA-N 2 0 330.476 2.276 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264135488 464287050 /nfs/dbraw/zinc/28/70/50/464287050.db2.gz ZPVWDGDQKPACAG-CABCVRRESA-N 2 0 348.491 2.229 20 30 EEEDRP CN1CC[N@H+](CCCNC(=[NH2+])NC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000264136735 464287080 /nfs/dbraw/zinc/28/70/80/464287080.db2.gz ZWWSYEDFGFRSEN-KRWDZBQOSA-N 2 0 331.508 2.068 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)cc1OC ZINC000268073154 464949754 /nfs/dbraw/zinc/94/97/54/464949754.db2.gz LIYANDFTMNTNOO-MRXNPFEDSA-N 2 0 348.491 2.086 20 30 EEEDRP [NH2+]=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1ccccn1 ZINC000177290997 464979172 /nfs/dbraw/zinc/97/91/72/464979172.db2.gz CBVZFBNCLVCRSI-UHFFFAOYSA-N 2 0 331.464 2.091 20 30 EEEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353423121 465871916 /nfs/dbraw/zinc/87/19/16/465871916.db2.gz DFUANQRMFNCGQC-FQEVSTJZSA-N 2 0 326.488 2.409 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000366863964 465980653 /nfs/dbraw/zinc/98/06/53/465980653.db2.gz IQFXKJQUIMZTOD-UHFFFAOYSA-N 2 0 332.492 2.137 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417061807 466768424 /nfs/dbraw/zinc/76/84/24/466768424.db2.gz LNMBQLIUUBTAQM-HKUYNNGSSA-N 2 0 334.508 2.080 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417536874 466879526 /nfs/dbraw/zinc/87/95/26/466879526.db2.gz YKEOKZWLWPQKMP-SFHVURJKSA-N 2 0 330.476 2.416 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000376328539 466906320 /nfs/dbraw/zinc/90/63/20/466906320.db2.gz SZCCYVRYDCWWSM-WMZOPIPTSA-N 2 0 334.508 2.295 20 30 EEEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000424138058 466987382 /nfs/dbraw/zinc/98/73/82/466987382.db2.gz SZXAZIHDXMQNBU-QZTJIDSGSA-N 2 0 328.460 2.131 20 30 EEEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424179631 466998737 /nfs/dbraw/zinc/99/87/37/466998737.db2.gz ZEFLYLVZGLQEOA-JQHSSLGASA-N 2 0 328.460 2.034 20 30 EEEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000528399564 467681983 /nfs/dbraw/zinc/68/19/83/467681983.db2.gz WROQSAKYXMMWDL-ZIFCJYIRSA-N 2 0 349.519 2.252 20 30 EEEDRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)c(C)c2)CC1 ZINC000567789111 468211270 /nfs/dbraw/zinc/21/12/70/468211270.db2.gz VPWOPBQMRHFGJL-QGZVFWFLSA-N 2 0 343.475 2.097 20 30 EEEDRP N#CC[C@@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000592523323 468720125 /nfs/dbraw/zinc/72/01/25/468720125.db2.gz KURZSEHCXCIZAK-LJQANCHMSA-N 2 0 329.444 2.012 20 30 EEEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000573765829 469199833 /nfs/dbraw/zinc/19/98/33/469199833.db2.gz AXDCEHDZAZSGBA-HXUWFJFHSA-N 2 0 347.466 2.482 20 30 EEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682108 470611341 /nfs/dbraw/zinc/61/13/41/470611341.db2.gz KYCLYQJBLYSIPG-QGZVFWFLSA-N 2 0 328.460 2.183 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000764585509 577739399 /nfs/dbraw/zinc/73/93/99/577739399.db2.gz IRDJLUYIMLGIFQ-IBGZPJMESA-N 2 0 329.488 2.475 20 30 EEEDRP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)n1ccnc1 ZINC000970129768 675542970 /nfs/dbraw/zinc/54/29/70/675542970.db2.gz QTRAUJGBDWOOGB-ZIAGYGMSSA-N 2 0 343.456 2.158 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159698 675763938 /nfs/dbraw/zinc/76/39/38/675763938.db2.gz WHUDMAZIXHXRFW-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000970920887 676242393 /nfs/dbraw/zinc/24/23/93/676242393.db2.gz MTPDBDQMYZBLGZ-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371451 679277650 /nfs/dbraw/zinc/27/76/50/679277650.db2.gz ZZHBKFYCXLGAKZ-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411819 679295980 /nfs/dbraw/zinc/29/59/80/679295980.db2.gz JQXMNGFIYXXLDG-MJGOQNOKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@]2(C)C1 ZINC000982726287 682111918 /nfs/dbraw/zinc/11/19/18/682111918.db2.gz UDVNUZULNRSVAQ-SESVDKBCSA-N 2 0 345.531 2.445 20 30 EEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261942695 682510217 /nfs/dbraw/zinc/51/02/17/682510217.db2.gz DWQLOSXQIOXHCQ-SFHVURJKSA-N 2 0 336.524 2.329 20 30 EEEDRP [NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCSCC1 ZINC000262023979 682880519 /nfs/dbraw/zinc/88/05/19/682880519.db2.gz YXJVQNKPKPKPCK-UHFFFAOYSA-N 2 0 338.546 2.324 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627629 683153439 /nfs/dbraw/zinc/15/34/39/683153439.db2.gz AJQBPNDPGFWFEA-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033536 686084452 /nfs/dbraw/zinc/08/44/52/686084452.db2.gz DNRQEQPHDSBNCM-KDOFPFPSSA-N 2 0 325.472 2.212 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975067300 686094397 /nfs/dbraw/zinc/09/43/97/686094397.db2.gz XEIKNKWSVZLQEK-IBGZPJMESA-N 2 0 341.499 2.254 20 30 EEEDRP COC1CC[NH+](C2(CNC(=[NH2+])Nc3ccccn3)CCCC2)CC1 ZINC000262547872 687100146 /nfs/dbraw/zinc/10/01/46/687100146.db2.gz WGTVXADZEGWPFF-UHFFFAOYSA-N 2 0 331.464 2.232 20 30 EEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000262751231 688341908 /nfs/dbraw/zinc/34/19/08/688341908.db2.gz BXDPILUTNQITGC-UHFFFAOYSA-N 2 0 344.459 2.449 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@H]2C)CC1 ZINC000987572330 689848186 /nfs/dbraw/zinc/84/81/86/689848186.db2.gz UCPJTBHEOLGTMP-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C[NH+]=C(NCC[NH+]1CCCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000179136129 690666507 /nfs/dbraw/zinc/66/65/07/690666507.db2.gz SRUTXCWNYGBIKM-INIZCTEOSA-N 2 0 349.910 2.180 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027446888 692113254 /nfs/dbraw/zinc/11/32/54/692113254.db2.gz WOEBIYPCVOEHRG-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554349 1193145685 /nfs/dbraw/zinc/14/56/85/1193145685.db2.gz WPOAEPISFQDVSF-HOTGVXAUSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876637 1186754453 /nfs/dbraw/zinc/75/44/53/1186754453.db2.gz UMXNSQSTPSIWPH-IPMKNSEASA-N 2 0 333.520 2.463 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693563 1187660480 /nfs/dbraw/zinc/66/04/80/1187660480.db2.gz LDIFICZKAXLTDO-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001409835942 1190666881 /nfs/dbraw/zinc/66/68/81/1190666881.db2.gz VZJIFIWUEBTXMR-UONOGXRCSA-N 2 0 346.313 2.254 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001484069278 1191195345 /nfs/dbraw/zinc/19/53/45/1191195345.db2.gz YGJYBFDGCOQXHG-HXUWFJFHSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219740 1193757654 /nfs/dbraw/zinc/75/76/54/1193757654.db2.gz VHTMJOVZLNQBNQ-LSDHHAIUSA-N 2 0 348.516 2.336 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005498451 1195659786 /nfs/dbraw/zinc/65/97/86/1195659786.db2.gz TYVNTCXKKUUJSC-LJQANCHMSA-N 2 0 349.519 2.129 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000872222895 1198095916 /nfs/dbraw/zinc/09/59/16/1198095916.db2.gz IAZSGVNWFJWYCH-LJQANCHMSA-N 2 0 345.487 2.398 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000826014073 1200228328 /nfs/dbraw/zinc/22/83/28/1200228328.db2.gz UXYKSNWQBJJSLB-IBGZPJMESA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133015963 1200314361 /nfs/dbraw/zinc/31/43/61/1200314361.db2.gz JYCKVVRQYLUGRH-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1cnc[nH]1 ZINC001133405601 1200869394 /nfs/dbraw/zinc/86/93/94/1200869394.db2.gz HQQWSLWIGILTRN-UHFFFAOYSA-N 2 0 344.846 2.247 20 30 EEEDRP N#CCCCN1CC[C@@]2(CCCN2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274266675 1204980289 /nfs/dbraw/zinc/98/02/89/1204980289.db2.gz ATOKKHDUOBBZLZ-IBGZPJMESA-N 2 0 337.427 2.434 20 30 EEEDRP N#Cc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275027720 1205236007 /nfs/dbraw/zinc/23/60/07/1205236007.db2.gz NGSQOCBJOKJOAU-UHFFFAOYSA-N 2 0 336.443 2.164 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275949613 1205599345 /nfs/dbraw/zinc/59/93/45/1205599345.db2.gz IOFTVOQVZPVAAK-HDICACEKSA-N 2 0 337.471 2.250 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000948039478 1208834456 /nfs/dbraw/zinc/83/44/56/1208834456.db2.gz HMPXZDDDNBDQHK-QUCCMNQESA-N 2 0 339.483 2.103 20 30 EEEDRP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000948056525 1208845917 /nfs/dbraw/zinc/84/59/17/1208845917.db2.gz KQBSPUDKNRODCU-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948065099 1208851145 /nfs/dbraw/zinc/85/11/45/1208851145.db2.gz HGQYPQMFUKQDGZ-FUHWJXTLSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2c3ccccc3CC[N@H+]2CC)CC1 ZINC000948987254 1209491347 /nfs/dbraw/zinc/49/13/47/1209491347.db2.gz VQLVYZMOKOFKES-HXUWFJFHSA-N 2 0 339.483 2.067 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303875516 1213917717 /nfs/dbraw/zinc/91/77/17/1213917717.db2.gz DLWJGSXVGYEELK-OKZBNKHCSA-N 3 0 337.556 2.133 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000303881102 1213920131 /nfs/dbraw/zinc/92/01/31/1213920131.db2.gz HKFPKVUENBXZOT-JKSUJKDBSA-N 2 0 332.492 2.358 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957559938 1215210775 /nfs/dbraw/zinc/21/07/75/1215210775.db2.gz RNQQOIZHAAXXPX-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957605737 1215250442 /nfs/dbraw/zinc/25/04/42/1215250442.db2.gz LIGUCMXEQTZASC-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC000957776453 1215421443 /nfs/dbraw/zinc/42/14/43/1215421443.db2.gz GIQNYGGGIUZTFY-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NCCC(C)C)cc2F)CC1 ZINC000304765877 1216105555 /nfs/dbraw/zinc/10/55/55/1216105555.db2.gz ZWZCBNMPWOCGIZ-UHFFFAOYSA-N 2 0 349.498 2.418 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960269970 1216461465 /nfs/dbraw/zinc/46/14/65/1216461465.db2.gz BOGITGKIEIRYKJ-YFVAEKQCSA-N 2 0 339.483 2.254 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328371 1217523597 /nfs/dbraw/zinc/52/35/97/1217523597.db2.gz OFLMBJSYNKITAT-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963357821 1217552135 /nfs/dbraw/zinc/55/21/35/1217552135.db2.gz AGKNTCVXSBPHFO-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384295 1217580898 /nfs/dbraw/zinc/58/08/98/1217580898.db2.gz SSEDBMYZBYUWGF-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499834 1220569402 /nfs/dbraw/zinc/56/94/02/1220569402.db2.gz REYUUNPOKORPQL-VQIMIIECSA-N 2 0 336.439 2.336 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681630 1221487622 /nfs/dbraw/zinc/48/76/22/1221487622.db2.gz KVCRTFIBEQBCBL-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016633706 1226708651 /nfs/dbraw/zinc/70/86/51/1226708651.db2.gz XHTQBWTYFZMDLP-KFWWJZLASA-N 2 0 325.884 2.050 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788538 1226878692 /nfs/dbraw/zinc/87/86/92/1226878692.db2.gz ZRAVCLJKKTUUKI-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016807162 1226892791 /nfs/dbraw/zinc/89/27/91/1226892791.db2.gz LUWSQELTSDDKQE-OAHLLOKOSA-N 2 0 325.884 2.051 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860995 1226928269 /nfs/dbraw/zinc/92/82/69/1226928269.db2.gz MDZJNILNUDTGFA-QZTJIDSGSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001018984766 1228606935 /nfs/dbraw/zinc/60/69/35/1228606935.db2.gz DFPIQQYYUVSEBJ-MNEFBYGVSA-N 2 0 343.446 2.175 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039298306 1230515138 /nfs/dbraw/zinc/51/51/38/1230515138.db2.gz UWECDCJCYKRAOU-KRXYWNSISA-N 2 0 349.494 2.334 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397268 1230580329 /nfs/dbraw/zinc/58/03/29/1230580329.db2.gz BFMUQDSAIXMCOP-AEFFLSMTSA-N 2 0 336.439 2.345 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040745288 1231355829 /nfs/dbraw/zinc/35/58/29/1231355829.db2.gz KWXKIXWJTXPQIN-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744256 1233229177 /nfs/dbraw/zinc/22/91/77/1233229177.db2.gz OBPYXCOULOCWJI-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001044879135 1233338858 /nfs/dbraw/zinc/33/88/58/1233338858.db2.gz OANIDWJANMKMFE-JKSUJKDBSA-N 2 0 331.460 2.337 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001045092998 1233497101 /nfs/dbraw/zinc/49/71/01/1233497101.db2.gz JSBJCAHNQYRLRK-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001045385386 1233710891 /nfs/dbraw/zinc/71/08/91/1233710891.db2.gz MTWJOUVMUYAWQK-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000900418942 1234336678 /nfs/dbraw/zinc/33/66/78/1234336678.db2.gz RHYIBHGBZHNMDY-GOSISDBHSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319200 1234663915 /nfs/dbraw/zinc/66/39/15/1234663915.db2.gz PZDCJLPLIBSXBR-FXAWDEMLSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001047244546 1235736238 /nfs/dbraw/zinc/73/62/38/1235736238.db2.gz SISYYHSBGUWVAX-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047255475 1235758590 /nfs/dbraw/zinc/75/85/90/1235758590.db2.gz AJHZCXDLWSZECQ-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256484 1235759691 /nfs/dbraw/zinc/75/96/91/1235759691.db2.gz KWISASCQRAJFIR-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185305 1240039035 /nfs/dbraw/zinc/03/90/35/1240039035.db2.gz NSYCBHFNIDOAMO-RTBURBONSA-N 2 0 343.515 2.387 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049165789 1240164085 /nfs/dbraw/zinc/16/40/85/1240164085.db2.gz CRBGFGBRCQUURL-LVCYWYKZSA-N 2 0 341.499 2.430 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663809 1241812860 /nfs/dbraw/zinc/81/28/60/1241812860.db2.gz ODJPXUXNCWCCTQ-VAMGGRTRSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001404076 1242206928 /nfs/dbraw/zinc/20/69/28/1242206928.db2.gz FBNRHLNTBSOOTA-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837258 1242368542 /nfs/dbraw/zinc/36/85/42/1242368542.db2.gz ANXWYKWKHBCUSW-MOPGFXCFSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050766123 1244320083 /nfs/dbraw/zinc/32/00/83/1244320083.db2.gz KAUHBJFTVURZNB-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cccc2C1 ZINC001051300560 1245499957 /nfs/dbraw/zinc/49/99/57/1245499957.db2.gz XFXNGTCKNUIGKA-BEFAXECRSA-N 2 0 327.472 2.045 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027115 1245704471 /nfs/dbraw/zinc/70/44/71/1245704471.db2.gz AFHNEQRVUZWQEM-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043778 1245754901 /nfs/dbraw/zinc/75/49/01/1245754901.db2.gz ZGSBOUCCVHXMSD-RBUKOAKNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096416 1245892992 /nfs/dbraw/zinc/89/29/92/1245892992.db2.gz SXHKQGGSTQFBEC-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053673680 1246626028 /nfs/dbraw/zinc/62/60/28/1246626028.db2.gz FGYKDRUHRVDSCL-MSOLQXFVSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154165 1247543456 /nfs/dbraw/zinc/54/34/56/1247543456.db2.gz QIKBIERIXCCTQX-WBVHZDCISA-N 2 0 327.900 2.394 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171473 1247598230 /nfs/dbraw/zinc/59/82/30/1247598230.db2.gz RFWAWZWYKVJGQW-TZIWHRDSSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001054198228 1247690503 /nfs/dbraw/zinc/69/05/03/1247690503.db2.gz SOBQVCBLZKHOJZ-UXHICEINSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCC=C)[C@H](C)C2)CC1 ZINC001185727647 1278766349 /nfs/dbraw/zinc/76/63/49/1278766349.db2.gz BABPIPRHCWYMTM-QUCCMNQESA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001185772638 1278775990 /nfs/dbraw/zinc/77/59/90/1278775990.db2.gz UBNMUKHINCAAJS-DLBZAZTESA-N 2 0 345.487 2.442 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392901 1284956359 /nfs/dbraw/zinc/95/63/59/1284956359.db2.gz YEEKLUPQBSNGHQ-CZUORRHYSA-N 2 0 334.489 2.041 20 30 EEEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060177 1289893912 /nfs/dbraw/zinc/89/39/12/1289893912.db2.gz TYMOERPUAWEXOR-ZWKOTPCHSA-N 2 0 339.524 2.116 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636458 1296540097 /nfs/dbraw/zinc/54/00/97/1296540097.db2.gz KJSFYMZXOZIDQX-ZIFCJYIRSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603394 1297299064 /nfs/dbraw/zinc/29/90/64/1297299064.db2.gz FPOSDKPHAVECAQ-IEBWSBKVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001218582535 1297720777 /nfs/dbraw/zinc/72/07/77/1297720777.db2.gz XTIXGVOZVXDYPN-HNNXBMFYSA-N 2 0 331.464 2.317 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)CCC=C)C[C@H]32)CC1 ZINC001222044125 1299299616 /nfs/dbraw/zinc/29/96/16/1299299616.db2.gz PQPBCBDCLOTTMX-DFQSSKMNSA-N 2 0 343.515 2.219 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001225088255 1300884801 /nfs/dbraw/zinc/88/48/01/1300884801.db2.gz YVZYLSJVKJJLCB-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004684 1304149911 /nfs/dbraw/zinc/14/99/11/1304149911.db2.gz LFAOKTMLOBNWFL-ICSRJNTNSA-N 2 0 349.519 2.036 20 30 EEEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177524 1305177751 /nfs/dbraw/zinc/17/77/51/1305177751.db2.gz TWLOSVNGQPIENA-WMZOPIPTSA-N 2 0 334.508 2.237 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768554 1305752847 /nfs/dbraw/zinc/75/28/47/1305752847.db2.gz BTRJUPGLAJMGBG-ZWKOTPCHSA-N 2 0 331.504 2.435 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237844 1310246448 /nfs/dbraw/zinc/24/64/48/1310246448.db2.gz QXVSOAPQMFIYFG-UHFFFAOYSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@H]1C[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246956504 1310477882 /nfs/dbraw/zinc/47/78/82/1310477882.db2.gz XLQBYVBDVPBBIC-KSSFIOAISA-N 2 0 341.459 2.285 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731530 1316356181 /nfs/dbraw/zinc/35/61/81/1316356181.db2.gz MBTRJUGHCGNWJC-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400339 1316822718 /nfs/dbraw/zinc/82/27/18/1316822718.db2.gz OSGGTKNMHPCSCO-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Br)CN(CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823898 1316892959 /nfs/dbraw/zinc/89/29/59/1316892959.db2.gz CYHTUAMHTSKMFV-CYBMUJFWSA-N 2 0 346.313 2.206 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394905 1317578967 /nfs/dbraw/zinc/57/89/67/1317578967.db2.gz ZHIGFQUIYUOVSM-RLLQIKCJSA-N 2 0 341.499 2.182 20 30 EEEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252486090 1317614168 /nfs/dbraw/zinc/61/41/68/1317614168.db2.gz SOWMUSAACNHMPQ-YRPNKDGESA-N 2 0 330.472 2.335 20 30 EEEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001253250396 1317807808 /nfs/dbraw/zinc/80/78/08/1317807808.db2.gz XYUCXXGFYXNFKZ-LJQANCHMSA-N 2 0 325.541 2.490 20 30 EEEDRP CC1(C)CC([NH3+])CC(C)(C)N1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156772922 1318204613 /nfs/dbraw/zinc/20/46/13/1318204613.db2.gz SQQFSMVFBRONQF-UHFFFAOYSA-N 2 0 327.476 2.474 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC001158038140 1318980956 /nfs/dbraw/zinc/98/09/56/1318980956.db2.gz NHJWHECLTRWIAN-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC001158073987 1318996329 /nfs/dbraw/zinc/99/63/29/1318996329.db2.gz UWYOTZQCEARCEK-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP N#CC1(Nc2cc(C3C[NH2+]C3)ncn2)CC[NH+](Cc2ccccc2)CC1 ZINC001160108370 1320071253 /nfs/dbraw/zinc/07/12/53/1320071253.db2.gz KOWMNBFEJSMLFB-UHFFFAOYSA-N 2 0 348.454 2.134 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567643 1320201147 /nfs/dbraw/zinc/20/11/47/1320201147.db2.gz HYZJNWPZGHKPJX-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879879 1320659956 /nfs/dbraw/zinc/65/99/56/1320659956.db2.gz XYAJNUZCBMVRLH-SFHVURJKSA-N 2 0 349.519 2.059 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)(COC)CC1 ZINC001162320139 1320820215 /nfs/dbraw/zinc/82/02/15/1320820215.db2.gz HWRRYDTVBYPOII-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001164574200 1321422058 /nfs/dbraw/zinc/42/20/58/1321422058.db2.gz BCUGHAAPIYQGJK-GJZGRUSLSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205626080 1323220662 /nfs/dbraw/zinc/22/06/62/1323220662.db2.gz WDBNHLJGLMFURD-QXAKKESOSA-N 2 0 345.462 2.073 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668632 1323236715 /nfs/dbraw/zinc/23/67/15/1323236715.db2.gz JDWPMAUAPULXDK-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538708 1324011546 /nfs/dbraw/zinc/01/15/46/1324011546.db2.gz UTJOLCAEVMBFHE-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC001312787225 1331791816 /nfs/dbraw/zinc/79/18/16/1331791816.db2.gz DQXCTHMEEUZJCS-SFHVURJKSA-N 2 0 336.524 2.141 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400059 1374532347 /nfs/dbraw/zinc/53/23/47/1374532347.db2.gz KMCRYVNQIJCLGM-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001371662282 1375563207 /nfs/dbraw/zinc/56/32/07/1375563207.db2.gz YKEDCCQFDLTZKR-UONOGXRCSA-N 2 0 346.313 2.254 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396016 1379204540 /nfs/dbraw/zinc/20/45/40/1379204540.db2.gz UJKQUHRUZJJKRL-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001752772823 1406380036 /nfs/dbraw/zinc/38/00/36/1406380036.db2.gz MVMRIMJJIZTXJL-HDICACEKSA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752798214 1406417731 /nfs/dbraw/zinc/41/77/31/1406417731.db2.gz WEMKUWOETXPTRQ-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001394810719 1390749871 /nfs/dbraw/zinc/74/98/71/1390749871.db2.gz LHGHCZGFSPYARU-QZTJIDSGSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001398732633 1394169815 /nfs/dbraw/zinc/16/98/15/1394169815.db2.gz NXQFDAIKHBEOEV-MRXNPFEDSA-N 2 0 327.900 2.443 20 30 EEEDRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399331784 1394978875 /nfs/dbraw/zinc/97/88/75/1394978875.db2.gz CTXLLJOCLHJHTP-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400915775 1396722058 /nfs/dbraw/zinc/72/20/58/1396722058.db2.gz LMALYVDCBOBOPC-HNNXBMFYSA-N 2 0 348.516 2.480 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001401068917 1396900432 /nfs/dbraw/zinc/90/04/32/1396900432.db2.gz CUDNSKDITXIJPC-QGZVFWFLSA-N 2 0 327.900 2.345 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001402983748 1398304872 /nfs/dbraw/zinc/30/48/72/1398304872.db2.gz XNGQFOBEXIBEEV-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP CC#CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001755125488 1407134872 /nfs/dbraw/zinc/13/48/72/1407134872.db2.gz XHUPXAWMLOJZIO-WBVHZDCISA-N 2 0 331.460 2.195 20 30 EEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001755185053 1407190431 /nfs/dbraw/zinc/19/04/31/1407190431.db2.gz UDPOMYORJKXXBE-QZTJIDSGSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271722 1407282042 /nfs/dbraw/zinc/28/20/42/1407282042.db2.gz VWNOKWVYVSTKIR-MSOLQXFVSA-N 2 0 341.499 2.323 20 30 EEEDRP C#CC[C@@]1(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCC[NH2+]1 ZINC001574518073 1403521848 /nfs/dbraw/zinc/52/18/48/1403521848.db2.gz TWGFNNIWDKUKLH-FQEVSTJZSA-N 2 0 331.504 2.294 20 30 EEEDRP C#CC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC001574517327 1403521923 /nfs/dbraw/zinc/52/19/23/1403521923.db2.gz MHOAHHHQCXPLMO-AZUAARDMSA-N 2 0 325.456 2.085 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC001574970139 1403529730 /nfs/dbraw/zinc/52/97/30/1403529730.db2.gz QGGYBYWHEXBPNG-OAHLLOKOSA-N 2 0 341.459 2.057 20 30 EEEDRP N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3OC3(CC[NH2+]CC3)C2)CC1 ZINC001580037903 1403811930 /nfs/dbraw/zinc/81/19/30/1403811930.db2.gz ATRYKENKMOFQBE-QGZVFWFLSA-N 2 0 341.455 2.058 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001755713034 1407767043 /nfs/dbraw/zinc/76/70/43/1407767043.db2.gz TUCQOJDRIXICQL-IPMKNSEASA-N 2 0 331.504 2.102 20 30 EEEDRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001772248209 1410110034 /nfs/dbraw/zinc/11/00/34/1410110034.db2.gz UCDRIYZFRJBCHF-KXBFYZLASA-N 2 0 342.487 2.402 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001121790806 1410243359 /nfs/dbraw/zinc/24/33/59/1410243359.db2.gz CXBKFCWHMNUFLD-FUSSNKQKSA-N 2 0 349.519 2.080 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104257009 757740281 /nfs/dbraw/zinc/74/02/81/757740281.db2.gz ZZGUGUGPCQUKFT-FVQBIDKESA-N 2 0 347.906 2.493 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491218 758073673 /nfs/dbraw/zinc/07/36/73/758073673.db2.gz KNHPOBCUJCWACZ-ZVDOUQERSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378807 759945276 /nfs/dbraw/zinc/94/52/76/759945276.db2.gz INXGZAXLFMDVKV-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306403 761554934 /nfs/dbraw/zinc/55/49/34/761554934.db2.gz IMWLSVGQZWLPHR-YZGWKJHDSA-N 2 0 345.531 2.347 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673579 770049023 /nfs/dbraw/zinc/04/90/23/770049023.db2.gz QRKOPQQJKWVLKT-YZGWKJHDSA-N 2 0 339.483 2.078 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000155088699 770275573 /nfs/dbraw/zinc/27/55/73/770275573.db2.gz IMKWPXATJGIXFD-HDEZJCGLSA-N 2 0 334.508 2.124 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212757 783065916 /nfs/dbraw/zinc/06/59/16/783065916.db2.gz NWXGQYPHNPKIIZ-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683928 774308724 /nfs/dbraw/zinc/30/87/24/774308724.db2.gz KMUFXIQBSKIEMO-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089820972 776964962 /nfs/dbraw/zinc/96/49/62/776964962.db2.gz PZJXTMKTJNOFRJ-AITUJVMLSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839275 777495133 /nfs/dbraw/zinc/49/51/33/777495133.db2.gz RWLGGQXHPJESDU-LDTOTXGLSA-N 2 0 348.450 2.140 20 30 EEEDRP C=C(Cl)CN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981779517 778199060 /nfs/dbraw/zinc/19/90/60/778199060.db2.gz AIRKKHZGCVLVLO-HUUCEWRRSA-N 2 0 325.884 2.004 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713465 779534620 /nfs/dbraw/zinc/53/46/20/779534620.db2.gz MQVVRLWFNNBJNZ-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982305954 779656125 /nfs/dbraw/zinc/65/61/25/779656125.db2.gz BINWZNCYQGANBK-KVPLUYHFSA-N 2 0 331.504 2.360 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001127701489 779799790 /nfs/dbraw/zinc/79/97/90/779799790.db2.gz QHCMLPFAJZMUTJ-ZWKOTPCHSA-N 2 0 347.890 2.128 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385010 781397172 /nfs/dbraw/zinc/39/71/72/781397172.db2.gz HCVYTLJMRBOXJR-OWCLPIDISA-N 2 0 327.900 2.392 20 30 EEEDRP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105395770 781889149 /nfs/dbraw/zinc/88/91/49/781889149.db2.gz FGSAHASAWUOCHB-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946808144 783536727 /nfs/dbraw/zinc/53/67/27/783536727.db2.gz KSXDAPHZZYHDGE-KDURUIRLSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332286 783929784 /nfs/dbraw/zinc/92/97/84/783929784.db2.gz BXVWWJDJCCYFHU-RDJZCZTQSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086744507 784064407 /nfs/dbraw/zinc/06/44/07/784064407.db2.gz XERGQOICNMVFHT-LSDHHAIUSA-N 2 0 325.884 2.242 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975864 784924280 /nfs/dbraw/zinc/92/42/80/784924280.db2.gz DQQUNAQKWXTRHU-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299805 786233673 /nfs/dbraw/zinc/23/36/73/786233673.db2.gz DOFVMHKSOGAJJZ-KBXCAEBGSA-N 2 0 325.472 2.212 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996731695 787335599 /nfs/dbraw/zinc/33/55/99/787335599.db2.gz ZPUMUVYRUKYEFQ-QGZVFWFLSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946817 789708822 /nfs/dbraw/zinc/70/88/22/789708822.db2.gz ZEFNSYFMVVNTJG-IBGZPJMESA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009255 791825725 /nfs/dbraw/zinc/82/57/25/791825725.db2.gz VEDXMUYOIJQYFW-GBESFXJTSA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098409 792096276 /nfs/dbraw/zinc/09/62/76/792096276.db2.gz PBACDFASNBFRCD-SJORKVTESA-N 2 0 339.499 2.296 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998271688 792415268 /nfs/dbraw/zinc/41/52/68/792415268.db2.gz YGXTXWKXEVMQSY-KBPBESRZSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590497 792574020 /nfs/dbraw/zinc/57/40/20/792574020.db2.gz GMQIBKZDGCIHKG-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924629 792996128 /nfs/dbraw/zinc/99/61/28/792996128.db2.gz XVVKFTMLKAGQTI-KZNAEPCWSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCC(=C)C)C[C@@]3(C)C2)CC1 ZINC001092300046 793775333 /nfs/dbraw/zinc/77/53/33/793775333.db2.gz QQZRZTZUFBTWBL-CTNGQTDRSA-N 2 0 343.515 2.078 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992421987 794046276 /nfs/dbraw/zinc/04/62/76/794046276.db2.gz YVSYVYDTMASJES-YQQAZPJKSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992503251 794431215 /nfs/dbraw/zinc/43/12/15/794431215.db2.gz DSNQVMVMYMLKJC-FPOVZHCZSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992512497 794463528 /nfs/dbraw/zinc/46/35/28/794463528.db2.gz STRVBZQAWXECJM-QUCCMNQESA-N 2 0 325.456 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC[C@@H](C)F)CC3)CC1 ZINC000992515703 794473008 /nfs/dbraw/zinc/47/30/08/794473008.db2.gz ZRBOVTSSPVUSCD-KPFFTGBYSA-N 2 0 349.494 2.193 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000999498656 794544668 /nfs/dbraw/zinc/54/46/68/794544668.db2.gz XKDXSQRLWYMINS-ZWKOTPCHSA-N 2 0 346.450 2.118 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508372 794560801 /nfs/dbraw/zinc/56/08/01/794560801.db2.gz HMNTTWOVTRDQFL-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036737132 794694498 /nfs/dbraw/zinc/69/44/98/794694498.db2.gz MDODZAZGXOHBHW-GOEBONIOSA-N 2 0 325.884 2.146 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533313 806350511 /nfs/dbraw/zinc/35/05/11/806350511.db2.gz GAQABJVSTLVGHZ-VGWMRTNUSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666745 796073065 /nfs/dbraw/zinc/07/30/65/796073065.db2.gz SLHRGGWIEIYDIB-GPMSIDNRSA-N 2 0 339.499 2.459 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106840335 797241393 /nfs/dbraw/zinc/24/13/93/797241393.db2.gz IQAHHIWXEOJZOI-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001095027211 797249884 /nfs/dbraw/zinc/24/98/84/797249884.db2.gz KQLMRGOJVSWHCU-BBWFWOEESA-N 2 0 339.911 2.440 20 30 EEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262735 798060257 /nfs/dbraw/zinc/06/02/57/798060257.db2.gz LCTXVIFMIPSBNA-QFBILLFUSA-N 2 0 339.499 2.487 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154369631 798194721 /nfs/dbraw/zinc/19/47/21/798194721.db2.gz HFDDTLKLBFJWCL-SFHVURJKSA-N 2 0 329.488 2.377 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)CC1 ZINC001176737976 798543014 /nfs/dbraw/zinc/54/30/14/798543014.db2.gz OJPOCSQEBHPVKP-DHINHOHASA-N 2 0 339.911 2.349 20 30 EEEDRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176930990 798634134 /nfs/dbraw/zinc/63/41/34/798634134.db2.gz ULODSUBQYVUGOK-UHFFFAOYSA-N 2 0 345.462 2.149 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085149074 798722872 /nfs/dbraw/zinc/72/28/72/798722872.db2.gz AXVBOQRBULXDCE-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)CC1 ZINC001180360896 800378281 /nfs/dbraw/zinc/37/82/81/800378281.db2.gz PHSDXCPYGGZIAW-SFHVURJKSA-N 2 0 339.499 2.346 20 30 EEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001181951884 800973365 /nfs/dbraw/zinc/97/33/65/800973365.db2.gz MCKVAQSJTWBWLN-VQIMIIECSA-N 2 0 330.476 2.168 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413319 802915111 /nfs/dbraw/zinc/91/51/11/802915111.db2.gz CKELADGTRBTSEA-BZUAXINKSA-N 2 0 327.900 2.344 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484358 803081673 /nfs/dbraw/zinc/08/16/73/803081673.db2.gz UQBAOJRACWBCAL-AFYVEPGGSA-N 2 0 341.499 2.392 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086500340 803132249 /nfs/dbraw/zinc/13/22/49/803132249.db2.gz XKQFSLWSTLCDDT-YHUYYLMFSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169095979 803607976 /nfs/dbraw/zinc/60/79/76/803607976.db2.gz TVZVGOFPVHJLRY-ZJPYXAASSA-N 2 0 327.472 2.106 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716476 804385759 /nfs/dbraw/zinc/38/57/59/804385759.db2.gz SZOPTZIIKATVOG-BQFCYCMXSA-N 2 0 336.439 2.249 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001086558405 807209225 /nfs/dbraw/zinc/20/92/25/807209225.db2.gz LZDBRENSTCIMRG-KESTWPANSA-N 2 0 345.531 2.396 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001437953105 1090550221 /nfs/dbraw/zinc/55/02/21/1090550221.db2.gz POXJNJLNOYPZKV-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001441460161 1095112734 /nfs/dbraw/zinc/11/27/34/1095112734.db2.gz LVETXGQOOCZLDN-MRXNPFEDSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001444189611 1098742205 /nfs/dbraw/zinc/74/22/05/1098742205.db2.gz QJIMNCNTFIAQJA-HDJSIYSDSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001444819233 1099751526 /nfs/dbraw/zinc/75/15/26/1099751526.db2.gz CGERCXYYDKXLPE-CZUORRHYSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416446 1107483679 /nfs/dbraw/zinc/48/36/79/1107483679.db2.gz VAVADBRXDRQBSJ-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568754739 1124769769 /nfs/dbraw/zinc/76/97/69/1124769769.db2.gz YBNCLQGLSMYVSR-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000264933537 533071373 /nfs/dbraw/zinc/07/13/73/533071373.db2.gz BWWRERFCBGPDBL-IBGZPJMESA-N 2 0 330.472 2.415 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)C(C)C ZINC000355469311 465250827 /nfs/dbraw/zinc/25/08/27/465250827.db2.gz FIGHVESLYOIYHS-MSOLQXFVSA-N 2 0 336.524 2.421 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(-c2ccco2)n1 ZINC000123608071 463355035 /nfs/dbraw/zinc/35/50/35/463355035.db2.gz SDFTYWNMBLFSFA-ZDUSSCGKSA-N 2 0 333.461 2.292 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000579463498 468362008 /nfs/dbraw/zinc/36/20/08/468362008.db2.gz WBENVGGXFWCWNE-LJQANCHMSA-N 2 0 345.487 2.204 20 30 EEEDRP C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262813155 464048517 /nfs/dbraw/zinc/04/85/17/464048517.db2.gz VTIXOPVYGCIMHV-IAGOWNOFSA-N 2 0 340.471 2.074 20 30 EEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000262849895 464049734 /nfs/dbraw/zinc/04/97/34/464049734.db2.gz SFVZUOFWJHMAAU-DOTOQJQBSA-N 2 0 328.460 2.431 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000264071791 464279928 /nfs/dbraw/zinc/27/99/28/464279928.db2.gz DLCKQKKAAFWMLA-MRXNPFEDSA-N 2 0 345.535 2.422 20 30 EEEDRP CCCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000264133327 464286440 /nfs/dbraw/zinc/28/64/40/464286440.db2.gz YSKCMTUTRNNHIS-MRXNPFEDSA-N 2 0 348.491 2.373 20 30 EEEDRP CCN(C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245805716 464515409 /nfs/dbraw/zinc/51/54/09/464515409.db2.gz PYLVDQHITGVROF-ZHALLVOQSA-N 2 0 342.487 2.247 20 30 EEEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181733007 464523595 /nfs/dbraw/zinc/52/35/95/464523595.db2.gz GMYUCDMJGWKEEK-SJLPKXTDSA-N 2 0 331.460 2.476 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175742360 464614263 /nfs/dbraw/zinc/61/42/63/464614263.db2.gz FYIXSEFPSNNLBV-UHFFFAOYSA-N 2 0 334.508 2.343 20 30 EEEDRP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918949 468433982 /nfs/dbraw/zinc/43/39/82/468433982.db2.gz LYUXYWASCREVHV-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP Cn1ccnc1[C@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000373100650 466692337 /nfs/dbraw/zinc/69/23/37/466692337.db2.gz SOLJPDRBRFLVHP-ZDUSSCGKSA-N 2 0 329.429 2.171 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369275206 466722785 /nfs/dbraw/zinc/72/27/85/466722785.db2.gz WMURCJAFNWMJKE-SJLPKXTDSA-N 2 0 342.487 2.236 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369275204 466723631 /nfs/dbraw/zinc/72/36/31/466723631.db2.gz WMURCJAFNWMJKE-AEFFLSMTSA-N 2 0 342.487 2.236 20 30 EEEDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000423377095 466731970 /nfs/dbraw/zinc/73/19/70/466731970.db2.gz DYZCFMNROVROCY-ABAIWWIYSA-N 2 0 344.356 2.184 20 30 EEEDRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000375891976 466881178 /nfs/dbraw/zinc/88/11/78/466881178.db2.gz SOZNEXVVYJPCDI-IBGZPJMESA-N 2 0 330.451 2.298 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424147773 466990923 /nfs/dbraw/zinc/99/09/23/466990923.db2.gz SEROXRMZAVPQEB-KBAYOESNSA-N 2 0 328.460 2.034 20 30 EEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000377830930 467147536 /nfs/dbraw/zinc/14/75/36/467147536.db2.gz ILFGDSQTWIEXJD-LJQANCHMSA-N 2 0 342.487 2.037 20 30 EEEDRP C[N@@H+]1CCN(CCC[NH2+]C[C@H](C#N)CCC#N)[C@H](c2ccccc2)C1 ZINC000591725385 468510507 /nfs/dbraw/zinc/51/05/07/468510507.db2.gz WICOVGJQPYKICC-ICSRJNTNSA-N 2 0 339.487 2.398 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cn2)CC1 ZINC000574005527 469242584 /nfs/dbraw/zinc/24/25/84/469242584.db2.gz QQKOQMDAFWHYNF-FQEVSTJZSA-N 2 0 347.466 2.482 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000189996389 528664264 /nfs/dbraw/zinc/66/42/64/528664264.db2.gz UAYBUTHJHMJZPR-AHRSYUTCSA-N 2 0 345.487 2.318 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000733328325 577222764 /nfs/dbraw/zinc/22/27/64/577222764.db2.gz OMPFMQNRRHUWKW-UHFFFAOYSA-N 2 0 329.488 2.206 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411595 577720842 /nfs/dbraw/zinc/72/08/42/577720842.db2.gz AQRKMFGDLPNTEX-OALUTQOASA-N 2 0 331.460 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](F)CC)CC1 ZINC001021469827 676118856 /nfs/dbraw/zinc/11/88/56/676118856.db2.gz OJWDKUHWOOUHIZ-QBUWPKIASA-N 2 0 349.494 2.191 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021087637 675714800 /nfs/dbraw/zinc/71/48/00/675714800.db2.gz DOUQYEXSECJKDW-YXSUXZIUSA-N 2 0 344.297 2.005 20 30 EEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970211921 675720245 /nfs/dbraw/zinc/72/02/45/675720245.db2.gz BYXDNWWSHDZJKO-MRXNPFEDSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706551 676367044 /nfs/dbraw/zinc/36/70/44/676367044.db2.gz LSUMNIGWGIDXEV-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000972387254 678634938 /nfs/dbraw/zinc/63/49/38/678634938.db2.gz NMDOJDRQZJNRGI-FQEVSTJZSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001023127850 679135869 /nfs/dbraw/zinc/13/58/69/679135869.db2.gz GNUMZUOYHAIYDU-KDURUIRLSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001023128195 679136109 /nfs/dbraw/zinc/13/61/09/679136109.db2.gz TVTOLKAYEAFRHM-KDURUIRLSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023509227 679347159 /nfs/dbraw/zinc/34/71/59/679347159.db2.gz ZEPWKKXWQHPZOG-GOSISDBHSA-N 2 0 341.499 2.256 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001024159813 679828397 /nfs/dbraw/zinc/82/83/97/679828397.db2.gz LXIVWHXVWBYBOE-OALUTQOASA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC000992798866 683479330 /nfs/dbraw/zinc/47/93/30/683479330.db2.gz JEHWQRIYJMCSMP-HYVNUMGLSA-N 2 0 331.460 2.358 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001026284067 684191511 /nfs/dbraw/zinc/19/15/11/684191511.db2.gz OQFATRHIOHEPPZ-SOUVJXGZSA-N 2 0 325.884 2.050 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@@H]12 ZINC000990814792 693908760 /nfs/dbraw/zinc/90/87/60/693908760.db2.gz JGERTMHKRKXYTG-APWZRJJASA-N 2 0 328.460 2.061 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000262370442 685681022 /nfs/dbraw/zinc/68/10/22/685681022.db2.gz IMKWPXATJGIXFD-TXCZRRACSA-N 2 0 334.508 2.124 20 30 EEEDRP C=C(Br)CNC(=[NH+]C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262424058 685997332 /nfs/dbraw/zinc/99/73/32/685997332.db2.gz CDNAWPCPLBCSAZ-ZDUSSCGKSA-N 2 0 329.286 2.031 20 30 EEEDRP CCN(CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1C ZINC000303907472 686943740 /nfs/dbraw/zinc/94/37/40/686943740.db2.gz WVUYRGNQJZZDHE-QGZVFWFLSA-N 2 0 331.508 2.210 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCC3CC3)CC2)CC1 ZINC000985803850 687728564 /nfs/dbraw/zinc/72/85/64/687728564.db2.gz LJJRCMFJTCPURV-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001009630593 688071636 /nfs/dbraw/zinc/07/16/36/688071636.db2.gz XMIBQJBZBXGFPF-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387143 694332456 /nfs/dbraw/zinc/33/24/56/694332456.db2.gz AKLOVLNHMJPDCV-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391384 691668281 /nfs/dbraw/zinc/66/82/81/691668281.db2.gz ROXBHHZWSOOGEQ-UKRRQHHQSA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088027 1193361382 /nfs/dbraw/zinc/36/13/82/1193361382.db2.gz ABCOSHMBAMUZDV-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105564077 1188180602 /nfs/dbraw/zinc/18/06/02/1188180602.db2.gz VWAVJLPPNBNDPW-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898877 1195467289 /nfs/dbraw/zinc/46/72/89/1195467289.db2.gz ZAWGZZATCAWRJY-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173534 1199388610 /nfs/dbraw/zinc/38/86/10/1199388610.db2.gz NMEWJNZOYPBHQB-RDJZCZTQSA-N 2 0 342.443 2.120 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]CC#Cc1ccccc1Cl)[NH+]1CCCC1 ZINC001132283941 1199518290 /nfs/dbraw/zinc/51/82/90/1199518290.db2.gz PHKRPWGFKGWSNL-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1C#N ZINC001134584232 1199673382 /nfs/dbraw/zinc/67/33/82/1199673382.db2.gz SBTRFGANHNITRT-CVEARBPZSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134728910 1199775684 /nfs/dbraw/zinc/77/56/84/1199775684.db2.gz CWYXVUZQZOABQG-LSDHHAIUSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132931915 1200208988 /nfs/dbraw/zinc/20/89/88/1200208988.db2.gz FSPPSVNGFBQNPJ-ZWKOTPCHSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001133398091 1200837908 /nfs/dbraw/zinc/83/79/08/1200837908.db2.gz CNMWLCCHLBLNHK-UHFFFAOYSA-N 2 0 347.890 2.376 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001133396103 1200854859 /nfs/dbraw/zinc/85/48/59/1200854859.db2.gz RCVKJQOJDMIASK-CRAIPNDOSA-N 2 0 347.890 2.232 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862208 1204932862 /nfs/dbraw/zinc/93/28/62/1204932862.db2.gz CTABMMRFMAQPGB-KURKYZTESA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001275381466 1205330584 /nfs/dbraw/zinc/33/05/84/1205330584.db2.gz UGBTVVFQPSGDMY-UHFFFAOYSA-N 2 0 340.475 2.280 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957563576 1215213966 /nfs/dbraw/zinc/21/39/66/1215213966.db2.gz KQWLHGWJMYLTDH-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1cccc(Cl)c1 ZINC000304771370 1216105633 /nfs/dbraw/zinc/10/56/33/1216105633.db2.gz AAQPUYDKYYLAAZ-JKSUJKDBSA-N 2 0 338.883 2.416 20 30 EEEDRP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960479701 1216615582 /nfs/dbraw/zinc/61/55/82/1216615582.db2.gz PKFSYWBZVKSHMH-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314933 1217506686 /nfs/dbraw/zinc/50/66/86/1217506686.db2.gz QIFHEYDBBVDMOU-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365772 1217562170 /nfs/dbraw/zinc/56/21/70/1217562170.db2.gz HTGFZODFLKNJHS-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000962307475 1217604280 /nfs/dbraw/zinc/60/42/80/1217604280.db2.gz TTWWLEJGASPMTR-NFOMZHRRSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016930989 1226978725 /nfs/dbraw/zinc/97/87/25/1226978725.db2.gz OLMSXPSTSHEBFH-HUUCEWRRSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130135 1230338530 /nfs/dbraw/zinc/33/85/30/1230338530.db2.gz JCEBJRRUYOEDNX-WOJBJXKFSA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165470 1230387217 /nfs/dbraw/zinc/38/72/17/1230387217.db2.gz QZAQDGLNEAVYRA-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039447904 1230615816 /nfs/dbraw/zinc/61/58/16/1230615816.db2.gz OWHUPFMIXPVGJS-CEXWTWQISA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCCF)C3)CC1 ZINC001040543643 1231284506 /nfs/dbraw/zinc/28/45/06/1231284506.db2.gz QGZYHQICWNJUFX-HXUWFJFHSA-N 2 0 349.494 2.006 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001040824806 1231380921 /nfs/dbraw/zinc/38/09/21/1231380921.db2.gz XFCTWAILMHOZLS-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040847851 1231387071 /nfs/dbraw/zinc/38/70/71/1231387071.db2.gz AHFROMXIJYRITP-ZWKOTPCHSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CC3)C[C@H]2C)CC1 ZINC001044871219 1233330633 /nfs/dbraw/zinc/33/06/33/1233330633.db2.gz IPTJPAZIYKFNHF-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020855 1233688920 /nfs/dbraw/zinc/68/89/20/1233688920.db2.gz SGONBRMHNYVZJU-QYZOEREBSA-N 2 0 327.472 2.312 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001045646733 1233879830 /nfs/dbraw/zinc/87/98/30/1233879830.db2.gz MXQLGORJNZURNJ-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938523 1234193010 /nfs/dbraw/zinc/19/30/10/1234193010.db2.gz DNPHCPKSVIIMHB-ZVDOUQERSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980363 1234271203 /nfs/dbraw/zinc/27/12/03/1234271203.db2.gz WHVDKMDUJCQFRZ-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@@H+](CC=C)C3)C2)CC1 ZINC001045986352 1234281678 /nfs/dbraw/zinc/28/16/78/1234281678.db2.gz ODRMFUOUNJOMEQ-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001046849221 1235246876 /nfs/dbraw/zinc/24/68/76/1235246876.db2.gz CPSLPQSUPQWHLF-HXUWFJFHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046967786 1235369080 /nfs/dbraw/zinc/36/90/80/1235369080.db2.gz XPIFCCGHQQAOTR-JYJNAYRXSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047243381 1235732141 /nfs/dbraw/zinc/73/21/41/1235732141.db2.gz LCODZIACNXHMDL-OALUTQOASA-N 2 0 333.520 2.156 20 30 EEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048056842 1237033194 /nfs/dbraw/zinc/03/31/94/1237033194.db2.gz BGJHCPKCMJAPOA-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048538912 1237912541 /nfs/dbraw/zinc/91/25/41/1237912541.db2.gz FRSRZMMUKVIDKJ-YRPNKDGESA-N 2 0 345.531 2.489 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000687739 1240737324 /nfs/dbraw/zinc/73/73/24/1240737324.db2.gz HTTRHWWHRXSPSY-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478559 1241077340 /nfs/dbraw/zinc/07/73/40/1241077340.db2.gz PTGWZZKQVFCEQW-GUDVDZBRSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001378886 1242159387 /nfs/dbraw/zinc/15/93/87/1242159387.db2.gz LUHVVRMDGVLPFG-UHFFFAOYSA-N 2 0 328.460 2.476 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837260 1242367826 /nfs/dbraw/zinc/36/78/26/1242367826.db2.gz ANXWYKWKHBCUSW-OALUTQOASA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC[C@@H](C)F)CC1 ZINC001049909449 1242657465 /nfs/dbraw/zinc/65/74/65/1242657465.db2.gz BGNQRWSOINMKQF-BHIYHBOVSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C/C=C\Cl)CC1 ZINC001049920252 1242713070 /nfs/dbraw/zinc/71/30/70/1242713070.db2.gz RCUMWNOWEBPEQT-CPRJUCLXSA-N 2 0 349.906 2.149 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001050630437 1243991554 /nfs/dbraw/zinc/99/15/54/1243991554.db2.gz PODBWCORCWLNKR-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312972 1245645848 /nfs/dbraw/zinc/64/58/48/1245645848.db2.gz VMRRJCDMHXYFSQ-NQIIRXRSSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395806 1245759264 /nfs/dbraw/zinc/75/92/64/1245759264.db2.gz PWWONLWVUYRRIX-QUCCMNQESA-N 2 0 333.520 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053054125 1245782501 /nfs/dbraw/zinc/78/25/01/1245782501.db2.gz IEUPYOBEUBGTIP-PMACEKPBSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053086090 1245860939 /nfs/dbraw/zinc/86/09/39/1245860939.db2.gz AYFMXPBDPBWSRF-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101394 1245908801 /nfs/dbraw/zinc/90/88/01/1245908801.db2.gz NJZSZJHKDDQQNZ-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001101541806 1245944413 /nfs/dbraw/zinc/94/44/13/1245944413.db2.gz WFXVXOWRWRMWLM-GOSISDBHSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001101546867 1245949853 /nfs/dbraw/zinc/94/98/53/1245949853.db2.gz VCGDXCFNCOCCLY-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)C)C3)CC1 ZINC001099174537 1257993679 /nfs/dbraw/zinc/99/36/79/1257993679.db2.gz RVFNUVKUMKQLMC-FPOVZHCZSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099241355 1258029291 /nfs/dbraw/zinc/02/92/91/1258029291.db2.gz ZFVWXWIMJHLZCH-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099263679 1258050983 /nfs/dbraw/zinc/05/09/83/1258050983.db2.gz WBQGFEYCUAUNMD-RBSFLKMASA-N 2 0 347.425 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC(=C)C)[C@H](C)C2)CC1 ZINC001185741413 1278768705 /nfs/dbraw/zinc/76/87/05/1278768705.db2.gz LAQQUMUBKSSSCO-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)CCC1 ZINC001201037653 1287266657 /nfs/dbraw/zinc/26/66/57/1287266657.db2.gz NMCPNEWMEKALNF-UHFFFAOYSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186598075 1279170236 /nfs/dbraw/zinc/17/02/36/1279170236.db2.gz OFPRBOWCZWIVSH-GOSISDBHSA-N 2 0 333.520 2.302 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190722661 1281032150 /nfs/dbraw/zinc/03/21/50/1281032150.db2.gz FPIICGRVOBQFNG-ROUUACIJSA-N 2 0 333.520 2.443 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191283127 1281299627 /nfs/dbraw/zinc/29/96/27/1281299627.db2.gz FIAZTHFNARUUIH-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001192190890 1281848318 /nfs/dbraw/zinc/84/83/18/1281848318.db2.gz VCWZLZPVWXAFBQ-WOJBJXKFSA-N 2 0 341.499 2.157 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001193600812 1282627020 /nfs/dbraw/zinc/62/70/20/1282627020.db2.gz MELVSTPMYXRYTH-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC/C=C/CC)C2)CC1 ZINC001194246913 1282957192 /nfs/dbraw/zinc/95/71/92/1282957192.db2.gz SXAAOEGOKNYNOA-GHOSXJJBSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198983991 1285460000 /nfs/dbraw/zinc/46/00/00/1285460000.db2.gz LLBNOFLRQJCLMX-AEFFLSMTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001071086202 1286761581 /nfs/dbraw/zinc/76/15/81/1286761581.db2.gz UXVAGHZWSMTBKJ-HQRMLTQVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389536 1289554011 /nfs/dbraw/zinc/55/40/11/1289554011.db2.gz MFDMABITZWYVKO-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973988 1295056870 /nfs/dbraw/zinc/05/68/70/1295056870.db2.gz JTMZOOCJTOAKGP-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC3CC3)C2)CC1 ZINC001072095583 1295237515 /nfs/dbraw/zinc/23/75/15/1295237515.db2.gz KWCXXEHJCCDYDO-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213525234 1296069392 /nfs/dbraw/zinc/06/93/92/1296069392.db2.gz XHOPUJYRYZLQFF-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899546 1299473871 /nfs/dbraw/zinc/47/38/71/1299473871.db2.gz VHLWFEJKMLUSRB-IAGOWNOFSA-N 2 0 341.540 2.239 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC(CNC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001225436297 1300996803 /nfs/dbraw/zinc/99/68/03/1300996803.db2.gz ZKFKAPRWLZFUBR-UHFFFAOYSA-N 2 0 346.500 2.044 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571696 1301068578 /nfs/dbraw/zinc/06/85/78/1301068578.db2.gz SQUBNZSVXXVWGV-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001102601238 1301275908 /nfs/dbraw/zinc/27/59/08/1301275908.db2.gz SKNVDZDQGBRWID-UYAOXDASSA-N 2 0 341.499 2.062 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001228365929 1302227132 /nfs/dbraw/zinc/22/71/32/1302227132.db2.gz JLXCKQPIVUDXJJ-QZTJIDSGSA-N 2 0 346.450 2.166 20 30 EEEDRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001230141207 1303083187 /nfs/dbraw/zinc/08/31/87/1303083187.db2.gz AEEPHHUNBONXOP-WOJBJXKFSA-N 2 0 339.483 2.151 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001277779790 1304386527 /nfs/dbraw/zinc/38/65/27/1304386527.db2.gz RENHQPQXJRPJDC-IZZQQSIFSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001112444031 1304554126 /nfs/dbraw/zinc/55/41/26/1304554126.db2.gz AOGZKPSNQWOFAI-ZJOUEHCJSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592166 1305465951 /nfs/dbraw/zinc/46/59/51/1305465951.db2.gz WYRAZAARLRTYGR-MSOLQXFVSA-N 2 0 331.504 2.435 20 30 EEEDRP CC(C)C[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001278118345 1305993192 /nfs/dbraw/zinc/99/31/92/1305993192.db2.gz MEZZDRFIYFPPSY-UHFFFAOYSA-N 2 0 346.519 2.381 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001122118559 1310225577 /nfs/dbraw/zinc/22/55/77/1310225577.db2.gz JHWAQSLWFGOOKD-DLBZAZTESA-N 2 0 339.524 2.339 20 30 EEEDRP C=CCCCCCC[C@@H](O)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001246059330 1310226320 /nfs/dbraw/zinc/22/63/20/1310226320.db2.gz OXDARKOGGHILTA-LJQANCHMSA-N 2 0 325.541 2.490 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246080966 1310232518 /nfs/dbraw/zinc/23/25/18/1310232518.db2.gz HMOWNLFHRVCVQM-VLOYRQLPSA-N 2 0 349.425 2.182 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122243063 1310247463 /nfs/dbraw/zinc/24/74/63/1310247463.db2.gz ZBSJKXSNLCWPRF-QAELIBMJSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022470 1316129536 /nfs/dbraw/zinc/12/95/36/1316129536.db2.gz NUFXLGBQFRIIQK-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001152330006 1316657578 /nfs/dbraw/zinc/65/75/78/1316657578.db2.gz HITRDIAQANYRTQ-QZTJIDSGSA-N 2 0 333.520 2.254 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368494 1316818829 /nfs/dbraw/zinc/81/88/29/1316818829.db2.gz RGZSTIRRJQEEOZ-QGZVFWFLSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCOC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001251840711 1317508096 /nfs/dbraw/zinc/50/80/96/1317508096.db2.gz SOJPGCFVQYBQRR-KRWDZBQOSA-N 2 0 348.512 2.047 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839211 1317759181 /nfs/dbraw/zinc/75/91/81/1317759181.db2.gz SBGWOYZOVOWOMS-QGZVFWFLSA-N 2 0 347.503 2.391 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC001253105253 1317771150 /nfs/dbraw/zinc/77/11/50/1317771150.db2.gz GNVYKRQFGQWUKA-NRFANRHFSA-N 2 0 343.515 2.186 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C#N)c(F)c1 ZINC001156524850 1318053595 /nfs/dbraw/zinc/05/35/95/1318053595.db2.gz DOLXYMRMIYRQHJ-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255026544 1318261633 /nfs/dbraw/zinc/26/16/33/1318261633.db2.gz XSISGHNFLDDUIG-UHFFFAOYSA-N 2 0 325.500 2.445 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CCC1 ZINC001159997660 1320045564 /nfs/dbraw/zinc/04/55/64/1320045564.db2.gz XCEAMTVELIJYJK-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160474016 1320172282 /nfs/dbraw/zinc/17/22/82/1320172282.db2.gz WPEWJITXDLDMER-RTBURBONSA-N 2 0 329.488 2.165 20 30 EEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001160997988 1320348461 /nfs/dbraw/zinc/34/84/61/1320348461.db2.gz ZRFJNTAIYLUAEG-LJQANCHMSA-N 2 0 349.519 2.200 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)(COC)CC1 ZINC001162581746 1320904219 /nfs/dbraw/zinc/90/42/19/1320904219.db2.gz NBZCEIABKYSVFE-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001162934945 1320991022 /nfs/dbraw/zinc/99/10/22/1320991022.db2.gz MIZZOMGWJYABLD-QUCCMNQESA-N 2 0 343.515 2.421 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1ccc(Cl)nc1C#N ZINC001163125773 1321043980 /nfs/dbraw/zinc/04/39/80/1321043980.db2.gz JSLZLRMAYLYMKI-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001163297053 1321090399 /nfs/dbraw/zinc/09/03/99/1321090399.db2.gz CJGISFWMCYXZED-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166380716 1321709138 /nfs/dbraw/zinc/70/91/38/1321709138.db2.gz HMQSKRSGEWQAOP-INIZCTEOSA-N 2 0 339.911 2.489 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001166677599 1321762601 /nfs/dbraw/zinc/76/26/01/1321762601.db2.gz KQLFQXSTQIKSLB-INIZCTEOSA-N 2 0 347.890 2.129 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307114 1322347527 /nfs/dbraw/zinc/34/75/27/1322347527.db2.gz PMPUFIJRPABNPR-ZWKOTPCHSA-N 2 0 333.451 2.238 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869115 1323647868 /nfs/dbraw/zinc/64/78/68/1323647868.db2.gz SNTWGCVDTTVMHH-LJQANCHMSA-N 2 0 327.472 2.141 20 30 EEEDRP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243471 1325211850 /nfs/dbraw/zinc/21/18/50/1325211850.db2.gz LKKZUCMXWGUZTA-BHIYHBOVSA-N 2 0 327.472 2.139 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200478390 1338356339 /nfs/dbraw/zinc/35/63/39/1338356339.db2.gz ISOCUHFLPGUIAS-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001100651661 1338599475 /nfs/dbraw/zinc/59/94/75/1338599475.db2.gz CBAQGSKNESBTSW-MQBCKMQZSA-N 2 0 348.516 2.190 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001574925294 1343712701 /nfs/dbraw/zinc/71/27/01/1343712701.db2.gz MKKXGOQULPYGOJ-ZACQAIPSSA-N 2 0 346.523 2.445 20 30 EEEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000849076493 1373203591 /nfs/dbraw/zinc/20/35/91/1373203591.db2.gz IXXOTBXAIPOGAQ-UHFFFAOYSA-N 2 0 335.883 2.152 20 30 EEEDRP C[C@H]1C[N@H+](CCC[NH+]=C(NCc2ccccc2)N(C)C)CCCO1 ZINC000849104687 1373241060 /nfs/dbraw/zinc/24/10/60/1373241060.db2.gz UKWLIYMSOGQSPA-KRWDZBQOSA-N 2 0 332.492 2.195 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001365838466 1373767300 /nfs/dbraw/zinc/76/73/00/1373767300.db2.gz CBAQGSKNESBTSW-ZQIUZPCESA-N 2 0 348.516 2.190 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366185176 1373824933 /nfs/dbraw/zinc/82/49/33/1373824933.db2.gz FKSBUUILGMCNIF-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC001368036510 1374324518 /nfs/dbraw/zinc/32/45/18/1374324518.db2.gz MKIOGMPCLLUCEA-KRWDZBQOSA-N 2 0 346.450 2.022 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001370172955 1374836633 /nfs/dbraw/zinc/83/66/33/1374836633.db2.gz XDNOUNHLYMZHNK-OALUTQOASA-N 2 0 342.487 2.129 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001372675309 1376131424 /nfs/dbraw/zinc/13/14/24/1376131424.db2.gz ZITPQIYJAXLLEO-APWZRJJASA-N 2 0 342.487 2.083 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001372675311 1376131990 /nfs/dbraw/zinc/13/19/90/1376131990.db2.gz ZITPQIYJAXLLEO-LPHOPBHVSA-N 2 0 342.487 2.083 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001375102020 1377371138 /nfs/dbraw/zinc/37/11/38/1377371138.db2.gz KTDHEIILOVBMME-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001377488493 1379287975 /nfs/dbraw/zinc/28/79/75/1379287975.db2.gz JTMHENHVDSDMET-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670366 1381330570 /nfs/dbraw/zinc/33/05/70/1381330570.db2.gz NNYPNFWITQNRSE-CABCVRRESA-N 2 0 348.516 2.288 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2(CNC(=O)Cc3ncc[nH]3)CCCC2)s1 ZINC001392020861 1389773701 /nfs/dbraw/zinc/77/37/01/1389773701.db2.gz IHMDALQQNLJPBB-UHFFFAOYSA-N 2 0 343.456 2.104 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001393147640 1390341730 /nfs/dbraw/zinc/34/17/30/1390341730.db2.gz LXHFJDMLPOALNO-GOSISDBHSA-N 2 0 348.516 2.290 20 30 EEEDRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001393821453 1390552645 /nfs/dbraw/zinc/55/26/45/1390552645.db2.gz BKFHJOAXULUBFK-INIZCTEOSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001393827573 1390554412 /nfs/dbraw/zinc/55/44/12/1390554412.db2.gz KPMVIXYDWYKCGT-XJKSGUPXSA-N 2 0 336.505 2.190 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001394490843 1390712406 /nfs/dbraw/zinc/71/24/06/1390712406.db2.gz UFNHTJVKMMKAOV-KSSFIOAISA-N 2 0 348.466 2.220 20 30 EEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001753749704 1406772666 /nfs/dbraw/zinc/77/26/66/1406772666.db2.gz ONGGROAJLQLIBS-IBGZPJMESA-N 2 0 333.520 2.396 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCCCC)C3)C2)CC1 ZINC001754568168 1406927722 /nfs/dbraw/zinc/92/77/22/1406927722.db2.gz AYUVLQOCRBQAEW-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001755072338 1407081410 /nfs/dbraw/zinc/08/14/10/1407081410.db2.gz GUCWVFOFFPVFJZ-IBGZPJMESA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001755072339 1407081621 /nfs/dbraw/zinc/08/16/21/1407081621.db2.gz GUCWVFOFFPVFJZ-LJQANCHMSA-N 2 0 337.483 2.193 20 30 EEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001755186489 1407192082 /nfs/dbraw/zinc/19/20/82/1407192082.db2.gz VLVHERGDCMKNPG-QZTJIDSGSA-N 2 0 327.472 2.419 20 30 EEEDRP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001733836559 1406017582 /nfs/dbraw/zinc/01/75/82/1406017582.db2.gz ZLABQCIZFJXZMM-IBGZPJMESA-N 2 0 327.472 2.228 20 30 EEEDRP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001755548713 1407624130 /nfs/dbraw/zinc/62/41/30/1407624130.db2.gz MDEKCULSTJPMJS-UXHICEINSA-N 2 0 341.499 2.253 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449443 760424978 /nfs/dbraw/zinc/42/49/78/760424978.db2.gz JDXUUYGPSHRAIF-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C2)CC1 ZINC001105062169 768977679 /nfs/dbraw/zinc/97/76/79/768977679.db2.gz DEFNQHNUDRNTNS-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537846 769329483 /nfs/dbraw/zinc/32/94/83/769329483.db2.gz RTOBWJWXLNUXOU-PKOBYXMFSA-N 2 0 344.503 2.324 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088211605 783062352 /nfs/dbraw/zinc/06/23/52/783062352.db2.gz RKOXURBAFQPVTR-IXDOHACOSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089869543 783130152 /nfs/dbraw/zinc/13/01/52/783130152.db2.gz LWLVDOBCAVZYKP-MANSERQUSA-N 2 0 331.504 2.073 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256535 783181031 /nfs/dbraw/zinc/18/10/31/783181031.db2.gz WLMZOGGPPPGTPU-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1ncc[nH]1 ZINC001089802381 775829961 /nfs/dbraw/zinc/82/99/61/775829961.db2.gz FJVWNVQSZSQRNI-JJXSEGSLSA-N 2 0 348.878 2.264 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001089824046 777047361 /nfs/dbraw/zinc/04/73/61/777047361.db2.gz IVEOYVNKADZUHX-MANSERQUSA-N 2 0 343.515 2.217 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831990 777327358 /nfs/dbraw/zinc/32/73/58/777327358.db2.gz PWZFSDLNRPTNJF-OKYOBFRVSA-N 2 0 343.515 2.360 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052597 778999701 /nfs/dbraw/zinc/99/97/01/778999701.db2.gz RINBGCJCZSLAFC-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044797135 783435285 /nfs/dbraw/zinc/43/52/85/783435285.db2.gz PADHULIMQIXRLK-JKSUJKDBSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001035039247 783595866 /nfs/dbraw/zinc/59/58/66/783595866.db2.gz ZRRMKJQECAVDTK-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193599 784081994 /nfs/dbraw/zinc/08/19/94/784081994.db2.gz IGGHIDZOPQIWFP-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035225867 784110108 /nfs/dbraw/zinc/11/01/08/784110108.db2.gz BKKPFCGONZDOAY-HOCLYGCPSA-N 2 0 339.911 2.251 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395431 784440336 /nfs/dbraw/zinc/44/03/36/784440336.db2.gz WNPNRSLBBIFUOY-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858091 784641067 /nfs/dbraw/zinc/64/10/67/784641067.db2.gz SJTZAOIZMOOYRQ-MSOLQXFVSA-N 2 0 329.488 2.253 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937859 784828890 /nfs/dbraw/zinc/82/88/90/784828890.db2.gz AXLCPLWJFSZXCW-QZTJIDSGSA-N 2 0 339.483 2.007 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442891 787253664 /nfs/dbraw/zinc/25/36/64/787253664.db2.gz PVBQZOGUOMLZOI-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000996937810 788205822 /nfs/dbraw/zinc/20/58/22/788205822.db2.gz ZYURIVOJOBHWCB-UHFFFAOYSA-N 2 0 325.840 2.288 20 30 EEEDRP C=CCCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001105713390 789136461 /nfs/dbraw/zinc/13/64/61/789136461.db2.gz BXUJQXFRJMIDCS-UHFFFAOYSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902104 789569638 /nfs/dbraw/zinc/56/96/38/789569638.db2.gz JWRKFJQGKSONNN-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998118921 791998746 /nfs/dbraw/zinc/99/87/46/791998746.db2.gz YIAIPPQSJBQNCU-HZPDHXFCSA-N 2 0 328.460 2.166 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC000998304195 792513404 /nfs/dbraw/zinc/51/34/04/792513404.db2.gz MSKNFCPKCSJPDK-CABCVRRESA-N 2 0 347.425 2.273 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001148571064 792544987 /nfs/dbraw/zinc/54/49/87/792544987.db2.gz UUVXGKZQVVRHLV-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](CCF)CC3)CC1 ZINC001086958707 793104830 /nfs/dbraw/zinc/10/48/30/793104830.db2.gz ZEVNKOAIGWTIDQ-KRWDZBQOSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992311467 793631002 /nfs/dbraw/zinc/63/10/02/793631002.db2.gz AFOGVCDSDQTBOH-TZIWHRDSSA-N 2 0 339.483 2.498 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303121 793779341 /nfs/dbraw/zinc/77/93/41/793779341.db2.gz SXGSIPBPYBBJTG-GGPKGHCWSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350014 794343772 /nfs/dbraw/zinc/34/37/72/794343772.db2.gz VUBKQZHWCIKOJD-CVEARBPZSA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000999366651 794369944 /nfs/dbraw/zinc/36/99/44/794369944.db2.gz YVTBURDJOTWDFF-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999406110 794420986 /nfs/dbraw/zinc/42/09/86/794420986.db2.gz KGIQPQUUSRBKTB-VNCLNFNDSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509230 794451763 /nfs/dbraw/zinc/45/17/63/794451763.db2.gz MYAKMUREFZVPQY-TZIWHRDSSA-N 2 0 343.515 2.245 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001079300978 794539250 /nfs/dbraw/zinc/53/92/50/794539250.db2.gz YFVFTVFRYNZOSF-UHOSZYNNSA-N 2 0 345.462 2.380 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515867 794572460 /nfs/dbraw/zinc/57/24/60/794572460.db2.gz ZRBQVODTJROESL-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810434 795215936 /nfs/dbraw/zinc/21/59/36/795215936.db2.gz BKLFQAKRUCPPDY-JKSUJKDBSA-N 2 0 325.884 2.004 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820037 795288021 /nfs/dbraw/zinc/28/80/21/795288021.db2.gz BPRRWMBKSUHBFJ-HZPDHXFCSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495756 796288315 /nfs/dbraw/zinc/28/83/15/796288315.db2.gz UDIGFUAWRXIKRD-NLWGTHIKSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001095041425 797265011 /nfs/dbraw/zinc/26/50/11/797265011.db2.gz ZGKZLZMHALMASC-JYJNAYRXSA-N 2 0 328.460 2.306 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565224 798499230 /nfs/dbraw/zinc/49/92/30/798499230.db2.gz URFKTOLRYVLSQB-CABCVRRESA-N 2 0 348.516 2.336 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049739 798638289 /nfs/dbraw/zinc/63/82/89/798638289.db2.gz VRHHRPMJDJAJGM-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]cn1 ZINC001177339353 798873086 /nfs/dbraw/zinc/87/30/86/798873086.db2.gz CXVCMRIEUIDRIH-UHFFFAOYSA-N 2 0 330.476 2.364 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179071192 799768831 /nfs/dbraw/zinc/76/88/31/799768831.db2.gz BSZKTIVNZMIIJS-QPIRBTGLSA-N 2 0 349.519 2.082 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183143874 801484951 /nfs/dbraw/zinc/48/49/51/801484951.db2.gz WMKFSCFHWFSGFM-DUXKGJEZSA-N 2 0 341.499 2.171 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001183772806 801729137 /nfs/dbraw/zinc/72/91/37/801729137.db2.gz LLYSVLUGZUUPHK-GOSISDBHSA-N 2 0 345.462 2.098 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085484 802106826 /nfs/dbraw/zinc/10/68/26/802106826.db2.gz HNACMYFOXFNTIT-CAOSSQGBSA-N 2 0 325.884 2.098 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001185072934 802336642 /nfs/dbraw/zinc/33/66/42/802336642.db2.gz LBTGWRHWOZAHEK-AEFFLSMTSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354987 803358820 /nfs/dbraw/zinc/35/88/20/803358820.db2.gz SNZMIGWHOIZGHK-MJGOQNOKSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417884 803506077 /nfs/dbraw/zinc/50/60/77/803506077.db2.gz KOCMNOMWTNYITP-LJQANCHMSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469969 805520780 /nfs/dbraw/zinc/52/07/80/805520780.db2.gz PDFZOVAUBLPGQN-SQNIBIBYSA-N 2 0 328.460 2.206 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398928 811610809 /nfs/dbraw/zinc/61/08/09/811610809.db2.gz IFINQDXOCPUVKX-DOTOQJQBSA-N 2 0 347.507 2.122 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001438707695 1091220391 /nfs/dbraw/zinc/22/03/91/1091220391.db2.gz WUZDBCPUWXWFRF-KSSFIOAISA-N 2 0 348.466 2.220 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001438958486 1091650324 /nfs/dbraw/zinc/65/03/24/1091650324.db2.gz GMJRSQXJOWPVAV-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001439779638 1092735726 /nfs/dbraw/zinc/73/57/26/1092735726.db2.gz YRTCQYKFSUYQOI-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001447315814 1102435169 /nfs/dbraw/zinc/43/51/69/1102435169.db2.gz BPYLHNSTTGDNBC-PBHICJAKSA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001480790310 1107122969 /nfs/dbraw/zinc/12/29/69/1107122969.db2.gz NJTOXVMZQVGPKX-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CCC)CC[NH+]2CCCCCC2)CC1 ZINC000491664901 533145030 /nfs/dbraw/zinc/14/50/30/533145030.db2.gz UCPWMCNRTGHGCE-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@H]1CC ZINC001087634138 781982976 /nfs/dbraw/zinc/98/29/76/781982976.db2.gz NVVYNPDEGTXIQF-DOTOQJQBSA-N 2 0 334.464 2.285 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000424151831 303151404 /nfs/dbraw/zinc/15/14/04/303151404.db2.gz GGGAKXONHBBWTQ-HZPDHXFCSA-N 2 0 346.500 2.240 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109515 319245978 /nfs/dbraw/zinc/24/59/78/319245978.db2.gz RZYAZINKIPXTBL-ZWKOTPCHSA-N 2 0 331.460 2.008 20 30 EEEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H](C)c1ccc(C)o1 ZINC000086335439 462569743 /nfs/dbraw/zinc/56/97/43/462569743.db2.gz YYHBKTLNMTVBBT-MRXNPFEDSA-N 2 0 348.491 2.459 20 30 EEEDRP CCNC(NCCCC[NH+]1CCN(c2ccccc2)CC1)=[NH+]CC ZINC000066244942 462865981 /nfs/dbraw/zinc/86/59/81/462865981.db2.gz KPFYUPYGZAOEQU-UHFFFAOYSA-N 2 0 331.508 2.164 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000068085232 463090832 /nfs/dbraw/zinc/09/08/32/463090832.db2.gz IKTVZSYIXVXXAS-HDICACEKSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171712528 463910710 /nfs/dbraw/zinc/91/07/10/463910710.db2.gz FORXLLISDDVZBQ-QGZVFWFLSA-N 2 0 336.524 2.448 20 30 EEEDRP CCN(C[C@H](C)C#N)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245805709 464516487 /nfs/dbraw/zinc/51/64/87/464516487.db2.gz PYLVDQHITGVROF-LMMKCTJWSA-N 2 0 342.487 2.247 20 30 EEEDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C#N)s3)ccn2)CC1 ZINC000176948809 464892849 /nfs/dbraw/zinc/89/28/49/464892849.db2.gz FDBGTCHPBDZYFM-UHFFFAOYSA-N 2 0 327.457 2.056 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249782082 464915874 /nfs/dbraw/zinc/91/58/74/464915874.db2.gz ZZACLGMUBMBJLS-IAGOWNOFSA-N 2 0 327.472 2.146 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccccc12 ZINC000267477534 464934277 /nfs/dbraw/zinc/93/42/77/464934277.db2.gz ZQFPREMQGQPORI-INIZCTEOSA-N 2 0 327.476 2.489 20 30 EEEDRP Cc1nc([C@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000329478350 465346322 /nfs/dbraw/zinc/34/63/22/465346322.db2.gz QBUQPPSIWSQUSA-HNNXBMFYSA-N 2 0 348.495 2.122 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C3([NH3+])CCCCC3)CC2)c1 ZINC000593918304 468432293 /nfs/dbraw/zinc/43/22/93/468432293.db2.gz DVFWDOHISHWYDH-UHFFFAOYSA-N 2 0 340.471 2.300 20 30 EEEDRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919323 468434072 /nfs/dbraw/zinc/43/40/72/468434072.db2.gz TXSUDPNAMZQQRZ-KDOFPFPSSA-N 2 0 328.460 2.012 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000366824747 465956804 /nfs/dbraw/zinc/95/68/04/465956804.db2.gz GLPYFZAOHSNYTH-KRWDZBQOSA-N 2 0 334.508 2.010 20 30 EEEDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380223 466733296 /nfs/dbraw/zinc/73/32/96/466733296.db2.gz HCGGSUZKQXLOAZ-WFASDCNBSA-N 2 0 326.366 2.045 20 30 EEEDRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1 ZINC000424155580 466991688 /nfs/dbraw/zinc/99/16/88/466991688.db2.gz MXJWYWRTUOAQMZ-ROUUACIJSA-N 2 0 328.460 2.269 20 30 EEEDRP C[NH+]1CCC(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000378501277 467323859 /nfs/dbraw/zinc/32/38/59/467323859.db2.gz ZAUSJWRCGMDYFM-UHFFFAOYSA-N 2 0 340.471 2.003 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108676 468800729 /nfs/dbraw/zinc/80/07/29/468800729.db2.gz NUHRSHAGRRJDFX-BPQIPLTHSA-N 2 0 348.487 2.236 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669464962 471507416 /nfs/dbraw/zinc/50/74/16/471507416.db2.gz RFBSUCQGVROLJZ-ZWKOTPCHSA-N 2 0 348.535 2.448 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659450373 471634512 /nfs/dbraw/zinc/63/45/12/471634512.db2.gz NJTSEDFOEAQKBG-QGZVFWFLSA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000106339324 526590286 /nfs/dbraw/zinc/59/02/86/526590286.db2.gz XEMJVIFKQCPJLX-GOSISDBHSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000743493452 577886271 /nfs/dbraw/zinc/88/62/71/577886271.db2.gz UEQXHGAWUZJARG-UHFFFAOYSA-N 2 0 331.460 2.339 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC001020463784 674844230 /nfs/dbraw/zinc/84/42/30/674844230.db2.gz KQAUDSGOUNZGQT-IYARVYRRSA-N 2 0 340.471 2.169 20 30 EEEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679608 675162014 /nfs/dbraw/zinc/16/20/14/675162014.db2.gz HCWZMVQJONBARZ-DLBZAZTESA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001020904588 675574920 /nfs/dbraw/zinc/57/49/20/675574920.db2.gz DNCMESUMOYDWMG-WKILWMFISA-N 2 0 325.884 2.098 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134500 675635023 /nfs/dbraw/zinc/63/50/23/675635023.db2.gz QIIRIRRZRRQOON-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262012639 677834615 /nfs/dbraw/zinc/83/46/15/677834615.db2.gz WZLGTELOIWXFAA-RCCFBDPRSA-N 2 0 346.523 2.216 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023124862 679134836 /nfs/dbraw/zinc/13/48/36/679134836.db2.gz LSRMDYWIXZKXJR-FDCRZUCXSA-N 2 0 340.471 2.168 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023130119 679136826 /nfs/dbraw/zinc/13/68/26/679136826.db2.gz ATKPOWBROWUSBQ-MJBXVCDLSA-N 2 0 344.297 2.006 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754990 682101442 /nfs/dbraw/zinc/10/14/42/682101442.db2.gz DPAGOBKOAXHNEK-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261978197 682712046 /nfs/dbraw/zinc/71/20/46/682712046.db2.gz OETRLPXDXPTANT-XHDPSFHLSA-N 2 0 335.521 2.298 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387145 694333213 /nfs/dbraw/zinc/33/32/13/694333213.db2.gz AKLOVLNHMJPDCV-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCc3sccc3C2)C1 ZINC000989827023 692369937 /nfs/dbraw/zinc/36/99/37/692369937.db2.gz XDBNMVZGLSDCAB-ZBFHGGJFSA-N 2 0 333.501 2.261 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244322 692475269 /nfs/dbraw/zinc/47/52/69/692475269.db2.gz ITVCCYRGXNHGSG-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036489 1192959136 /nfs/dbraw/zinc/95/91/36/1192959136.db2.gz MGKVKEVUTPYHHU-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC000945181453 1193416286 /nfs/dbraw/zinc/41/62/86/1193416286.db2.gz NFXRLEOGSLTMIM-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP CN(c1ccccc1C=[NH+]N1CCC[C@H]1CO)C1CC[NH+](C)CC1 ZINC000841661516 1187370190 /nfs/dbraw/zinc/37/01/90/1187370190.db2.gz IMCDCFLFHJRXTD-SFHVURJKSA-N 2 0 330.476 2.008 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755851326 1187670268 /nfs/dbraw/zinc/67/02/68/1187670268.db2.gz HTFCXYQFDWMJHN-UONOGXRCSA-N 2 0 335.414 2.273 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001105470906 1187944109 /nfs/dbraw/zinc/94/41/09/1187944109.db2.gz NSUOMBOZPCRPQE-BOHSKOPMSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001105473431 1188023739 /nfs/dbraw/zinc/02/37/39/1188023739.db2.gz WPDQVUUQFADOHX-UHFFFAOYSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001105486865 1188103640 /nfs/dbraw/zinc/10/36/40/1188103640.db2.gz BXSCBBPJGLMTJY-UHFFFAOYSA-N 2 0 349.519 2.178 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CCC1 ZINC001105563658 1188179619 /nfs/dbraw/zinc/17/96/19/1188179619.db2.gz QPTVWRRESQINPX-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CCC1 ZINC001105563660 1188179747 /nfs/dbraw/zinc/17/97/47/1188179747.db2.gz QPTVWRRESQINPX-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)CC1 ZINC001168307391 1188278435 /nfs/dbraw/zinc/27/84/35/1188278435.db2.gz GEHAVDSOTYXMKT-UHFFFAOYSA-N 2 0 331.504 2.008 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]1C ZINC001486092868 1193679186 /nfs/dbraw/zinc/67/91/86/1193679186.db2.gz RVNVKWAVMYMZCD-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818017 1194440884 /nfs/dbraw/zinc/44/08/84/1194440884.db2.gz ALYBXPBUGGNMJF-WCIQWLHISA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001034046015 1195697980 /nfs/dbraw/zinc/69/79/80/1195697980.db2.gz OLTNSSWMGNWIOF-IBGZPJMESA-N 2 0 331.504 2.221 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001034957897 1196918705 /nfs/dbraw/zinc/91/87/05/1196918705.db2.gz OKHHZBDXJBGJNI-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001132269137 1199508454 /nfs/dbraw/zinc/50/84/54/1199508454.db2.gz FVUXIDFAXCRQRI-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134585045 1199674179 /nfs/dbraw/zinc/67/41/79/1199674179.db2.gz YPXPOFNMNALDOI-HOTGVXAUSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608110 1199700518 /nfs/dbraw/zinc/70/05/18/1199700518.db2.gz QVQZNPSXOGRNNG-JKSUJKDBSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518790 1199802424 /nfs/dbraw/zinc/80/24/24/1199802424.db2.gz OGHBCMAJIMBMSC-MJGOQNOKSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064308 1200387181 /nfs/dbraw/zinc/38/71/81/1200387181.db2.gz LYHHBDMXKKCWEZ-DOTOQJQBSA-N 2 0 331.460 2.052 20 30 EEEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000886646198 1202539846 /nfs/dbraw/zinc/53/98/46/1202539846.db2.gz BXARFBQXSRGOLQ-XUVXKRRUSA-N 2 0 339.483 2.227 20 30 EEEDRP C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000886660728 1202541195 /nfs/dbraw/zinc/54/11/95/1202541195.db2.gz DXUKBZQJNUVYRS-PKOBYXMFSA-N 2 0 329.488 2.375 20 30 EEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000887133380 1204213319 /nfs/dbraw/zinc/21/33/19/1204213319.db2.gz ZQOWONSOZDMBJT-INIZCTEOSA-N 2 0 349.438 2.493 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202772519 1204901103 /nfs/dbraw/zinc/90/11/03/1204901103.db2.gz RWIRFMXLLZHUQS-GOSISDBHSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095416983 1205718038 /nfs/dbraw/zinc/71/80/38/1205718038.db2.gz BYVYWKKBQFKTMK-LMCOJAPRSA-N 2 0 343.515 2.386 20 30 EEEDRP C=CCC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529369 1209729475 /nfs/dbraw/zinc/72/94/75/1209729475.db2.gz QNBBBEZVXKDCMJ-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000083052354 1211453489 /nfs/dbraw/zinc/45/34/89/1211453489.db2.gz AVEOLIWABWRXJM-NSHDSACASA-N 2 0 344.381 2.472 20 30 EEEDRP CN1CC[N@H+](CCCNC(=[NH2+])NCC2CCC2)[C@H](c2ccccc2)C1 ZINC000303908970 1213923325 /nfs/dbraw/zinc/92/33/25/1213923325.db2.gz XZOPHDQPPZDCDL-IBGZPJMESA-N 2 0 343.519 2.070 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1Cl ZINC000304814389 1216106737 /nfs/dbraw/zinc/10/67/37/1216106737.db2.gz ZPJOFWVJJOYXDD-KGLIPLIRSA-N 2 0 338.883 2.496 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC000961024322 1217012060 /nfs/dbraw/zinc/01/20/60/1217012060.db2.gz CAQRBTGVLFFLTK-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224952 1217097146 /nfs/dbraw/zinc/09/71/46/1217097146.db2.gz FJLWFMNVTLWFBH-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277053 1217123496 /nfs/dbraw/zinc/12/34/96/1217123496.db2.gz AGEJWXCNNFMQFN-DLBZAZTESA-N 2 0 339.911 2.395 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961360954 1217158052 /nfs/dbraw/zinc/15/80/52/1217158052.db2.gz SJVSHXZIZLQZHF-PMOLBWCYSA-N 2 0 341.499 2.417 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961376948 1217164990 /nfs/dbraw/zinc/16/49/90/1217164990.db2.gz UKQNRQPKBAWRTD-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000961992210 1217440140 /nfs/dbraw/zinc/44/01/40/1217440140.db2.gz JPOHPHLHXNBEIL-XUJQIHCRSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000963331581 1217526445 /nfs/dbraw/zinc/52/64/45/1217526445.db2.gz OTKIMFSWOOVHQM-OFLPRAFFSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346153 1217540215 /nfs/dbraw/zinc/54/02/15/1217540215.db2.gz KFZNHWJRPQJADM-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000964851495 1218674408 /nfs/dbraw/zinc/67/44/08/1218674408.db2.gz GCHZMNQXRUPBFB-UHFFFAOYSA-N 2 0 325.884 2.098 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967424646 1220501903 /nfs/dbraw/zinc/50/19/03/1220501903.db2.gz UFENXYMORHDHBI-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887413 1221647227 /nfs/dbraw/zinc/64/72/27/1221647227.db2.gz DFTKSNNXRBEPAO-RTBURBONSA-N 2 0 331.504 2.387 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649701 1222346070 /nfs/dbraw/zinc/34/60/70/1222346070.db2.gz WXPFXSBEOPORCG-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001009625973 1223308091 /nfs/dbraw/zinc/30/80/91/1223308091.db2.gz GQIZLKZDFVOMKB-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340734 1226367614 /nfs/dbraw/zinc/36/76/14/1226367614.db2.gz ZKEVZLDTNROUKZ-VQTJNVASSA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016620951 1226694441 /nfs/dbraw/zinc/69/44/41/1226694441.db2.gz NNTQUGXMHRRGIX-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788589 1226878414 /nfs/dbraw/zinc/87/84/14/1226878414.db2.gz BRNFXNIOZXBPQF-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016878777 1226939969 /nfs/dbraw/zinc/93/99/69/1226939969.db2.gz ZWDDHJAAVPNNRJ-IBGZPJMESA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC(=C)Cl)CC3)CC1 ZINC001016985971 1227015099 /nfs/dbraw/zinc/01/50/99/1227015099.db2.gz NPOGXFXOGSLRGY-KRWDZBQOSA-N 2 0 349.906 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001019634039 1229224122 /nfs/dbraw/zinc/22/41/22/1229224122.db2.gz HRZYOOUKJMNFBX-WMZOPIPTSA-N 2 0 335.879 2.406 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCC(C)CC2)CC1 ZINC001039042774 1230259083 /nfs/dbraw/zinc/25/90/83/1230259083.db2.gz WMWDRSOEAQPARD-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165653 1230387414 /nfs/dbraw/zinc/38/74/14/1230387414.db2.gz QZAQDGLNEAVYRA-PKOBYXMFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247001 1230482242 /nfs/dbraw/zinc/48/22/42/1230482242.db2.gz SONXBQUCEICNDI-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001039250434 1230486207 /nfs/dbraw/zinc/48/62/07/1230486207.db2.gz KKXCJLQDQGFYCF-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329218 1231172932 /nfs/dbraw/zinc/17/29/32/1231172932.db2.gz SJNUFNFWCRUNLC-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387782 1231200400 /nfs/dbraw/zinc/20/04/00/1231200400.db2.gz JOZLJJAHSBGKLJ-HNAYVOBHSA-N 2 0 328.460 2.330 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953179 1231409069 /nfs/dbraw/zinc/40/90/69/1231409069.db2.gz KHUYWANGOQZLBS-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505773 1231571578 /nfs/dbraw/zinc/57/15/78/1231571578.db2.gz MUJQBVKEYONLSC-ICSRJNTNSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCC3)C[C@H]2C)CC1 ZINC001044872555 1233332516 /nfs/dbraw/zinc/33/25/16/1233332516.db2.gz SOOPDMIYTZHISD-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001046849193 1235246306 /nfs/dbraw/zinc/24/63/06/1235246306.db2.gz CFGFRVOWORVDBX-HXUWFJFHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242867 1235731279 /nfs/dbraw/zinc/73/12/79/1235731279.db2.gz HQJRZNUDIHRQOE-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537271 1237906090 /nfs/dbraw/zinc/90/60/90/1237906090.db2.gz NFUZQWIAUUPTHE-REPLKXPHSA-N 2 0 343.515 2.245 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048557110 1237957116 /nfs/dbraw/zinc/95/71/16/1237957116.db2.gz GOTABLOLXJAZSI-YSTOQKLRSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC001000185392 1240039095 /nfs/dbraw/zinc/03/90/95/1240039095.db2.gz OCCYASNAGTWWCA-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615702 1241652081 /nfs/dbraw/zinc/65/20/81/1241652081.db2.gz NKWDCBLWMQYFSC-PMACEKPBSA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050544753 1243817079 /nfs/dbraw/zinc/81/70/79/1243817079.db2.gz VVPAQUNNBYCGAU-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709912 1244803658 /nfs/dbraw/zinc/80/36/58/1244803658.db2.gz SENWKPZGDFRFTL-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257092 1245580399 /nfs/dbraw/zinc/58/03/99/1245580399.db2.gz GQTQRHFLCOXDOB-LMMKCTJWSA-N 2 0 339.499 2.413 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348923 1245696840 /nfs/dbraw/zinc/69/68/40/1245696840.db2.gz NYMYRRXJZRIWST-HQRMLTQVSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101388 1245909776 /nfs/dbraw/zinc/90/97/76/1245909776.db2.gz NJZSZJHKDDQQNZ-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105203 1245921144 /nfs/dbraw/zinc/92/11/44/1245921144.db2.gz MSHVPPAJTYHDJG-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448423 1247310978 /nfs/dbraw/zinc/31/09/78/1247310978.db2.gz ZEHUOAHOTIZCCR-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054101145 1247406461 /nfs/dbraw/zinc/40/64/61/1247406461.db2.gz RHXHJMYXMAELOB-NVXWUHKLSA-N 2 0 325.884 2.148 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129270 1247472040 /nfs/dbraw/zinc/47/20/40/1247472040.db2.gz NWBRKAQTJOUZCS-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001072080996 1254918668 /nfs/dbraw/zinc/91/86/68/1254918668.db2.gz FHWCSCDSTGPLBX-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101440 1257966409 /nfs/dbraw/zinc/96/64/09/1257966409.db2.gz ZJGUIAFPFOBUMW-ICSRJNTNSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(=C)C)C3)CC1 ZINC001099174657 1257994287 /nfs/dbraw/zinc/99/42/87/1257994287.db2.gz YUBBIDISQMHTPU-FPOVZHCZSA-N 2 0 343.515 2.269 20 30 EEEDRP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCCCCC ZINC001099536238 1258194489 /nfs/dbraw/zinc/19/44/89/1258194489.db2.gz KHGZNZVPABBIQN-HAGHYFMRSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099583410 1258227612 /nfs/dbraw/zinc/22/76/12/1258227612.db2.gz QVPRUURFGIXETN-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037399 1259597947 /nfs/dbraw/zinc/59/79/47/1259597947.db2.gz LGKUWMUYRKWMMP-UYSNPLJNSA-N 2 0 327.900 2.344 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001185706278 1278745425 /nfs/dbraw/zinc/74/54/25/1278745425.db2.gz KWEHPSRAABSEHP-MSOLQXFVSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174217 1280719967 /nfs/dbraw/zinc/71/99/67/1280719967.db2.gz DIGUWNKDQBTCEL-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177602 1280723587 /nfs/dbraw/zinc/72/35/87/1280723587.db2.gz RBJCEXPOLNMJTM-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946356 1281720976 /nfs/dbraw/zinc/72/09/76/1281720976.db2.gz AWGVFMDDGWXNPO-RBUKOAKNSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946357 1281721712 /nfs/dbraw/zinc/72/17/12/1281721712.db2.gz AWGVFMDDGWXNPO-RTBURBONSA-N 2 0 331.504 2.340 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC001196970619 1284362978 /nfs/dbraw/zinc/36/29/78/1284362978.db2.gz NWXRTSNEROZVRL-UHFFFAOYSA-N 2 0 345.462 2.053 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198952825 1285438045 /nfs/dbraw/zinc/43/80/45/1285438045.db2.gz ANRRCPOGUAAMOT-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558268 1289664693 /nfs/dbraw/zinc/66/46/93/1289664693.db2.gz NGOQLIMJVWXWLS-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001211233871 1295771431 /nfs/dbraw/zinc/77/14/31/1295771431.db2.gz QQZHUMJECOCULJ-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001211270287 1295793199 /nfs/dbraw/zinc/79/31/99/1295793199.db2.gz ZNIGVFRNFONLSH-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224007 1295943097 /nfs/dbraw/zinc/94/30/97/1295943097.db2.gz JDSDYRVPCRHZNX-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636723 1296539213 /nfs/dbraw/zinc/53/92/13/1296539213.db2.gz QCFVKVQJADRYJX-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215571384 1296941999 /nfs/dbraw/zinc/94/19/99/1296941999.db2.gz MOOSFMDAMOFJNN-CRAIPNDOSA-N 2 0 349.906 2.350 20 30 EEEDRP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218109572 1297575535 /nfs/dbraw/zinc/57/55/35/1297575535.db2.gz RHVKBJYJCMBMED-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP N#Cc1c(NC(=O)c2cc3c(s2)C[NH2+]CC3)sc2c1CC[NH2+]C2 ZINC001218555008 1297711454 /nfs/dbraw/zinc/71/14/54/1297711454.db2.gz CYEGVGSROBLQMR-UHFFFAOYSA-N 2 0 344.465 2.225 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537921 1298051524 /nfs/dbraw/zinc/05/15/24/1298051524.db2.gz RNKOAFLVXLPZBW-RKVPGOIHSA-N 2 0 348.406 2.035 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099556389 1299219754 /nfs/dbraw/zinc/21/97/54/1299219754.db2.gz KCNLELXEBXRAML-HZMVEIRTSA-N 2 0 339.911 2.248 20 30 EEEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949877 1299222200 /nfs/dbraw/zinc/22/22/00/1299222200.db2.gz LIKOOWRHQALSJJ-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223494873 1300154214 /nfs/dbraw/zinc/15/42/14/1300154214.db2.gz DKNQRIIQPXWTSW-SFHVURJKSA-N 2 0 337.483 2.052 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(CN(C)C)on1 ZINC001227211368 1301733486 /nfs/dbraw/zinc/73/34/86/1301733486.db2.gz FVWJOAVCWSZIFU-HZPDHXFCSA-N 2 0 334.464 2.333 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103375947 1302861889 /nfs/dbraw/zinc/86/18/89/1302861889.db2.gz DOPMXRJQMGNHLS-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](F)CC)CC1 ZINC001230252074 1303128526 /nfs/dbraw/zinc/12/85/26/1303128526.db2.gz ZBUCCTABDDDNIV-KZNAEPCWSA-N 2 0 337.483 2.097 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230618877 1303327341 /nfs/dbraw/zinc/32/73/41/1303327341.db2.gz SFTUVDSCCNAVAO-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCCC[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835753 1303489333 /nfs/dbraw/zinc/48/93/33/1303489333.db2.gz VDHXRHFXVSQEGE-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230917610 1303544409 /nfs/dbraw/zinc/54/44/09/1303544409.db2.gz CTDZJABAESUAAQ-LJQANCHMSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153523 1304281253 /nfs/dbraw/zinc/28/12/53/1304281253.db2.gz KCXWVNOKQQWELZ-BYNSBNAKSA-N 2 0 347.425 2.272 20 30 EEEDRP CC[NH+]1CCN(c2ccc(O[C@H](CC#N)C[N+](C)(C)C)cc2)CC1 ZINC001234658240 1305002835 /nfs/dbraw/zinc/00/28/35/1305002835.db2.gz YHRLVXOUOYPEIQ-LJQANCHMSA-N 2 0 331.484 2.196 20 30 EEEDRP CCCCCCCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243910 1306305973 /nfs/dbraw/zinc/30/59/73/1306305973.db2.gz WNFDSOXFXLDAOC-MRXNPFEDSA-N 2 0 345.553 2.141 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422846 1309524963 /nfs/dbraw/zinc/52/49/63/1309524963.db2.gz PEPCGLLMRBCWGH-HZPDHXFCSA-N 2 0 327.900 2.394 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001121288969 1309970017 /nfs/dbraw/zinc/97/00/17/1309970017.db2.gz MWXUVOSNSMQFPB-INFDXNDLSA-N 2 0 329.488 2.044 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC(N2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858809 1310450243 /nfs/dbraw/zinc/45/02/43/1310450243.db2.gz IHZGRDHLBICNHP-WTWHFWOCSA-N 2 0 343.446 2.435 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122574 1315665968 /nfs/dbraw/zinc/66/59/68/1315665968.db2.gz GVGSDOQARJTTPB-QZTJIDSGSA-N 2 0 336.439 2.297 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001149399793 1315958682 /nfs/dbraw/zinc/95/86/82/1315958682.db2.gz TXOQFHNZJOXUDG-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937465 1316096918 /nfs/dbraw/zinc/09/69/18/1316096918.db2.gz SJBRZZOMGOXTQU-IAGOWNOFSA-N 2 0 339.524 2.279 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC001152479573 1316677761 /nfs/dbraw/zinc/67/77/61/1316677761.db2.gz HVKMAADCLPVHQQ-QGZVFWFLSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930812 1316919068 /nfs/dbraw/zinc/91/90/68/1316919068.db2.gz YNIJBBCBGXKLSR-QUCCMNQESA-N 2 0 343.515 2.451 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226116 1317509065 /nfs/dbraw/zinc/50/90/65/1317509065.db2.gz HMUSMYRDPGHYCV-DLBZAZTESA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001157887428 1318918149 /nfs/dbraw/zinc/91/81/49/1318918149.db2.gz VLNFUKPACKUBAA-INIZCTEOSA-N 2 0 334.489 2.088 20 30 EEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097767 1319009964 /nfs/dbraw/zinc/00/99/64/1319009964.db2.gz DWDREJKLOVTBCB-HNNXBMFYSA-N 2 0 327.900 2.489 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162817465 1320967470 /nfs/dbraw/zinc/96/74/70/1320967470.db2.gz YOPAAYOLHXJETR-UYAOXDASSA-N 2 0 341.499 2.011 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771405 1321957910 /nfs/dbraw/zinc/95/79/10/1321957910.db2.gz NKZXTEQIOOHFGJ-OALUTQOASA-N 2 0 343.515 2.315 20 30 EEEDRP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001207006816 1323786386 /nfs/dbraw/zinc/78/63/86/1323786386.db2.gz AYRLJPQXQYICBC-IXDOHACOSA-N 2 0 348.491 2.036 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001491580185 1330172466 /nfs/dbraw/zinc/17/24/66/1330172466.db2.gz RIKDSNPFUHDDJV-OAHLLOKOSA-N 2 0 330.476 2.130 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001491675033 1330222036 /nfs/dbraw/zinc/22/20/36/1330222036.db2.gz OMDNFRCKSREYEC-HNNXBMFYSA-N 2 0 348.516 2.480 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001335385393 1336369293 /nfs/dbraw/zinc/36/92/93/1336369293.db2.gz ZJSWJVHZLSFMCW-MJGOQNOKSA-N 2 0 345.487 2.346 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC2(CC([NH3+])C2)C1)C(C)C ZINC001336732934 1336587339 /nfs/dbraw/zinc/58/73/39/1336587339.db2.gz IKKCSCANQQBKCR-RFSHTEQGSA-N 2 0 334.508 2.254 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C)CC2)c(OC)c1 ZINC001336739696 1336588156 /nfs/dbraw/zinc/58/81/56/1336588156.db2.gz QHGPMNNBHFBQFV-SFHVURJKSA-N 2 0 348.487 2.095 20 30 EEEDRP C=CC1(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C[NH2+]C1 ZINC001574879429 1343708091 /nfs/dbraw/zinc/70/80/91/1343708091.db2.gz AAJCHYORUDRHAL-UHFFFAOYSA-N 2 0 337.414 2.021 20 30 EEEDRP C=CC1(CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[NH2+]C1 ZINC001574879585 1343708104 /nfs/dbraw/zinc/70/81/04/1343708104.db2.gz GDWMHZRMJCLXSO-HNNXBMFYSA-N 2 0 335.879 2.267 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001202156320 1368884822 /nfs/dbraw/zinc/88/48/22/1368884822.db2.gz AIMYNKGPLQENKL-IBGZPJMESA-N 2 0 331.504 2.387 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001366033709 1373792587 /nfs/dbraw/zinc/79/25/87/1373792587.db2.gz HUVNUVIBPZDFJP-IBGZPJMESA-N 2 0 340.471 2.027 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccc(C#N)c1 ZINC001372410250 1375987867 /nfs/dbraw/zinc/98/78/67/1375987867.db2.gz YXOVOBHFUPTJHE-GOSISDBHSA-N 2 0 330.476 2.083 20 30 EEEDRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001378435787 1379957786 /nfs/dbraw/zinc/95/77/86/1379957786.db2.gz BJXANBDCARFKPT-GUDVDZBRSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001390537670 1388673668 /nfs/dbraw/zinc/67/36/68/1388673668.db2.gz YDCNCGRSSFRTAN-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680495 1381336744 /nfs/dbraw/zinc/33/67/44/1381336744.db2.gz YQMQDDQYYGUZGE-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001381473199 1381618625 /nfs/dbraw/zinc/61/86/25/1381618625.db2.gz ROUDCQXBMPKQTJ-MRXNPFEDSA-N 2 0 348.516 2.288 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001391860573 1389666815 /nfs/dbraw/zinc/66/68/15/1389666815.db2.gz GDSXIIKCJBLOOL-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001393518668 1390456608 /nfs/dbraw/zinc/45/66/08/1390456608.db2.gz LHTSRZYSLGWVEE-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398196343 1391799590 /nfs/dbraw/zinc/79/95/90/1391799590.db2.gz CLZGBEFZBSQRRJ-GDBMZVCRSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401246491 1397079435 /nfs/dbraw/zinc/07/94/35/1397079435.db2.gz SLXNWVXYYSDBCE-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001401504737 1397413758 /nfs/dbraw/zinc/41/37/58/1397413758.db2.gz VUIYEOOAYODOHK-HUUCEWRRSA-N 2 0 325.884 2.242 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001403357191 1399783309 /nfs/dbraw/zinc/78/33/09/1399783309.db2.gz RWOPHZHRKZGARL-BEFAXECRSA-N 2 0 342.487 2.081 20 30 EEEDRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001423167195 1400470129 /nfs/dbraw/zinc/47/01/29/1400470129.db2.gz CPSZJLBILQHINJ-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001755604702 1407674425 /nfs/dbraw/zinc/67/44/25/1407674425.db2.gz BGFKHOCKCJNNGK-OAHLLOKOSA-N 2 0 335.879 2.080 20 30 EEEDRP C=CCOCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755848262 1407899432 /nfs/dbraw/zinc/89/94/32/1407899432.db2.gz FDCOBRHKYSIOMH-KRWDZBQOSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942444860 782441939 /nfs/dbraw/zinc/44/19/39/782441939.db2.gz QRNJBCIALURAFS-DOTOQJQBSA-N 2 0 339.443 2.284 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208860272 757216235 /nfs/dbraw/zinc/21/62/35/757216235.db2.gz IZHHZTWSDGEVQJ-UHFFFAOYSA-N 2 0 328.504 2.450 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290830 758127046 /nfs/dbraw/zinc/12/70/46/758127046.db2.gz FLBRLBIYWDNLPT-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460626 759662485 /nfs/dbraw/zinc/66/24/85/759662485.db2.gz JTDKJVUJNQDBDO-UHFFFAOYSA-N 2 0 327.472 2.261 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075453762 760706201 /nfs/dbraw/zinc/70/62/01/760706201.db2.gz AQMPCWGGJUUOCI-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317079 761613449 /nfs/dbraw/zinc/61/34/49/761613449.db2.gz CFLQZJZWHDWJHZ-OTWHNJEPSA-N 2 0 345.531 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982418 782689439 /nfs/dbraw/zinc/68/94/39/782689439.db2.gz FUKBWXHDEKRXGF-WBVHZDCISA-N 2 0 345.512 2.227 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211690574 770345695 /nfs/dbraw/zinc/34/56/95/770345695.db2.gz FIDGMKXODHWYSU-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070902 773472764 /nfs/dbraw/zinc/47/27/64/773472764.db2.gz SZWCLPDMZJDFMU-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3C)C[C@H]2C1 ZINC000980236216 774138993 /nfs/dbraw/zinc/13/89/93/774138993.db2.gz BXJXSHHKPWLAOX-BZSNNMDCSA-N 2 0 330.476 2.374 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098527 783190624 /nfs/dbraw/zinc/19/06/24/783190624.db2.gz UWUXZSFLEJKCNL-ICSRJNTNSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981341196 777185097 /nfs/dbraw/zinc/18/50/97/777185097.db2.gz RBNGOGSHAVENQB-OALUTQOASA-N 2 0 327.472 2.055 20 30 EEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000997648937 790541072 /nfs/dbraw/zinc/54/10/72/790541072.db2.gz LHZKWBBAJZZIQT-XJKSGUPXSA-N 2 0 330.476 2.226 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332778 779751342 /nfs/dbraw/zinc/75/13/42/779751342.db2.gz NMVWMNYNJSISML-SESVDKBCSA-N 2 0 345.531 2.301 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135317301 783600746 /nfs/dbraw/zinc/60/07/46/783600746.db2.gz XKXBBWOZBVHTGQ-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035048996 783653928 /nfs/dbraw/zinc/65/39/28/783653928.db2.gz LJCJGVGSZFWWPA-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)C(C)C ZINC001135477883 783869725 /nfs/dbraw/zinc/86/97/25/783869725.db2.gz SJDQGRWEINCSFN-INIZCTEOSA-N 2 0 336.505 2.192 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976503 784925688 /nfs/dbraw/zinc/92/56/88/784925688.db2.gz KNECUBRHYWWAJS-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035719506 785013067 /nfs/dbraw/zinc/01/30/67/785013067.db2.gz AVLNTMQHPUCCNL-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810454 785210103 /nfs/dbraw/zinc/21/01/03/785210103.db2.gz LTYNWXVGJGHTFM-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C[C@H](F)CC)C3)CC2)CC1 ZINC001035856307 785295581 /nfs/dbraw/zinc/29/55/81/785295581.db2.gz KXPYVUVLMUXHIY-GOSISDBHSA-N 2 0 349.494 2.004 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036210101 786000543 /nfs/dbraw/zinc/00/05/43/786000543.db2.gz NPIXBQFYSFMDJA-CZUORRHYSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633157 787958477 /nfs/dbraw/zinc/95/84/77/787958477.db2.gz MIVZFFQDZXOTLT-NVXWUHKLSA-N 2 0 325.884 2.196 20 30 EEEDRP C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001105714196 789145673 /nfs/dbraw/zinc/14/56/73/789145673.db2.gz OGLMETBCLKJZEC-LJQANCHMSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997277996 789521439 /nfs/dbraw/zinc/52/14/39/789521439.db2.gz CMOVZXGGRBWEPT-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997334930 789610292 /nfs/dbraw/zinc/61/02/92/789610292.db2.gz ZSBSZCCYOZXHHT-IEBWSBKVSA-N 2 0 333.520 2.489 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397613 791234459 /nfs/dbraw/zinc/23/44/59/791234459.db2.gz GADNGZXSDDMGMQ-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001147826439 791984390 /nfs/dbraw/zinc/98/43/90/791984390.db2.gz VQUNVPTYGSGKRD-WBVHZDCISA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738481 792600924 /nfs/dbraw/zinc/60/09/24/792600924.db2.gz ZWCKZZOLUJACRP-KPFFTGBYSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCCCC)C3)CC1 ZINC001148828018 792703469 /nfs/dbraw/zinc/70/34/69/792703469.db2.gz WNOUKSGEHWKJQW-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001109926471 806222280 /nfs/dbraw/zinc/22/22/80/806222280.db2.gz HBPLKAOORJEPGR-QYZOEREBSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188263 793650777 /nfs/dbraw/zinc/65/07/77/793650777.db2.gz MLSHECDQLRFXGL-CTNGQTDRSA-N 2 0 345.531 2.465 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188320 793650918 /nfs/dbraw/zinc/65/09/18/793650918.db2.gz OYBAKROPYHZXLA-QUCCMNQESA-N 2 0 331.504 2.075 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079162591 794438223 /nfs/dbraw/zinc/43/82/23/794438223.db2.gz RVQFAVPARDCALL-NZSAHSFTSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506653 794446707 /nfs/dbraw/zinc/44/67/07/794446707.db2.gz JSQFJMQIJKEWPA-AZUAARDMSA-N 2 0 329.488 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2N(CC(=C)Cl)CC3)CC1 ZINC000992515739 794473074 /nfs/dbraw/zinc/47/30/74/794473074.db2.gz ZSRWNNBPGIZDTI-IEBWSBKVSA-N 2 0 349.906 2.197 20 30 EEEDRP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243978 794863949 /nfs/dbraw/zinc/86/39/49/794863949.db2.gz YWDCQJLIOYRTJG-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001093224141 794879508 /nfs/dbraw/zinc/87/95/08/794879508.db2.gz LUAGLXLNSOFRCC-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001093374062 795107922 /nfs/dbraw/zinc/10/79/22/795107922.db2.gz YJWQGYXSVVJYQD-MOPGFXCFSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853969 795502523 /nfs/dbraw/zinc/50/25/23/795502523.db2.gz CBGAWVHNAWWOCY-IRXDYDNUSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001108022062 795617917 /nfs/dbraw/zinc/61/79/17/795617917.db2.gz CKVXBQACTOSONI-LJQANCHMSA-N 2 0 349.519 2.036 20 30 EEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001106461665 795642813 /nfs/dbraw/zinc/64/28/13/795642813.db2.gz ILAUKVYMZYMOPJ-IXDOHACOSA-N 2 0 332.492 2.392 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577634 796419483 /nfs/dbraw/zinc/41/94/83/796419483.db2.gz KNVYZTDYTBQQPM-ZMSDIMECSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227113 796678200 /nfs/dbraw/zinc/67/82/00/796678200.db2.gz QPZWSTNPDMGONO-OKZBNKHCSA-N 2 0 347.890 2.275 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1ccccc1 ZINC001081203609 796685407 /nfs/dbraw/zinc/68/54/07/796685407.db2.gz UDTJHAZHXFAFBJ-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993619633 796845506 /nfs/dbraw/zinc/84/55/06/796845506.db2.gz HIJXKAOSUMYRCK-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094935988 797067664 /nfs/dbraw/zinc/06/76/64/797067664.db2.gz SDVMUEYCRARGOP-ZNMIVQPWSA-N 2 0 325.884 2.192 20 30 EEEDRP CC[NH+]=C(NCC1CC[NH+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000153772086 797444526 /nfs/dbraw/zinc/44/45/26/797444526.db2.gz ZJYFRQHVVHXMQI-INIZCTEOSA-N 2 0 326.554 2.367 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001082663156 797627488 /nfs/dbraw/zinc/62/74/88/797627488.db2.gz AXORHBBSGSABLP-DAXOMENPSA-N 2 0 325.884 2.050 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905466 797926687 /nfs/dbraw/zinc/92/66/87/797926687.db2.gz KUQPBULIHAASHX-BZSNNMDCSA-N 2 0 339.524 2.184 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262283 798059432 /nfs/dbraw/zinc/05/94/32/798059432.db2.gz FGRLTOLFAAQOEP-YJBOKZPZSA-N 2 0 325.472 2.097 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001177340069 798873816 /nfs/dbraw/zinc/87/38/16/798873816.db2.gz ZFPVRUNZRJKQDU-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177415711 798933866 /nfs/dbraw/zinc/93/38/66/798933866.db2.gz JAKOSMMFZPQXPU-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539387 799982615 /nfs/dbraw/zinc/98/26/15/799982615.db2.gz WPCLYHRNDZUBOU-RLFYNMQTSA-N 2 0 325.472 2.354 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179857193 800135368 /nfs/dbraw/zinc/13/53/68/800135368.db2.gz XFAGSTGEXYHLFQ-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001085284067 800317673 /nfs/dbraw/zinc/31/76/73/800317673.db2.gz LEWAPHRUKBRYOO-RTBURBONSA-N 2 0 327.472 2.055 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001180260278 800337445 /nfs/dbraw/zinc/33/74/45/800337445.db2.gz WEMNBYHZQJPAFW-IBGZPJMESA-N 2 0 342.487 2.276 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004471487 802159471 /nfs/dbraw/zinc/15/94/71/802159471.db2.gz XCDSYDQGICXGJF-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185052195 802303970 /nfs/dbraw/zinc/30/39/70/802303970.db2.gz MUANSCJEQWOZFU-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185294348 802448079 /nfs/dbraw/zinc/44/80/79/802448079.db2.gz PHGBRBNAUBMEPQ-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608355 802475461 /nfs/dbraw/zinc/47/54/61/802475461.db2.gz YTDFLITZNKXUFE-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC001086278307 802659886 /nfs/dbraw/zinc/65/98/86/802659886.db2.gz QORGFFYDRHOYNL-PUZFROQSSA-N 2 0 339.483 2.016 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809141 804086415 /nfs/dbraw/zinc/08/64/15/804086415.db2.gz FSNQOWLIGJCDSP-WMLDXEAASA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086579255 808142903 /nfs/dbraw/zinc/14/29/03/808142903.db2.gz SZVYOXWEWYQWHL-OTWHNJEPSA-N 2 0 327.472 2.241 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001129417460 810832641 /nfs/dbraw/zinc/83/26/41/810832641.db2.gz OKUOHJMLKXNSLU-QGZVFWFLSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001131519042 812923746 /nfs/dbraw/zinc/92/37/46/812923746.db2.gz BYRRXAJNIAZENR-QRVBRYPASA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436840887 1088474553 /nfs/dbraw/zinc/47/45/53/1088474553.db2.gz KLQMFFDLQJWWJO-OAHLLOKOSA-N 2 0 327.900 2.251 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001438407104 1090894261 /nfs/dbraw/zinc/89/42/61/1090894261.db2.gz RPZQAPUVLJLVCQ-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438508578 1091001535 /nfs/dbraw/zinc/00/15/35/1091001535.db2.gz YSYQBVXACDVNMA-KBXCAEBGSA-N 2 0 346.450 2.024 20 30 EEEDRP CC1CC[NH+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC001446259072 1092392482 /nfs/dbraw/zinc/39/24/82/1092392482.db2.gz PRSTYLIYELHGLA-UHFFFAOYSA-N 2 0 346.500 2.090 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114828 1093176755 /nfs/dbraw/zinc/17/67/55/1093176755.db2.gz FMUZOXHSQBLVKK-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001441650994 1095604079 /nfs/dbraw/zinc/60/40/79/1095604079.db2.gz ZEMBTZQZUAVZMU-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001444238230 1098799984 /nfs/dbraw/zinc/79/99/84/1098799984.db2.gz ZKAZCJVJKIZUQL-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305704 1098862590 /nfs/dbraw/zinc/86/25/90/1098862590.db2.gz GDRYKBJPLMAXDE-QFBILLFUSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480173290 1099752323 /nfs/dbraw/zinc/75/23/23/1099752323.db2.gz DKPHNBBLKZRPBY-BZUAXINKSA-N 2 0 327.900 2.486 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953648 1101651192 /nfs/dbraw/zinc/65/11/92/1101651192.db2.gz SVODNXMEYHETEP-HUUCEWRRSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001499852069 1112513107 /nfs/dbraw/zinc/51/31/07/1112513107.db2.gz CYCPNTULRYDKIT-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000329260869 539770522 /nfs/dbraw/zinc/77/05/22/539770522.db2.gz CZLKRGRZGASYFU-PBHICJAKSA-N 2 0 345.491 2.442 20 30 EEEDRP N#Cc1ccc([C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601363 164348466 /nfs/dbraw/zinc/34/84/66/164348466.db2.gz XEMMDEJXNOWPGN-ICSRJNTNSA-N 2 0 348.450 2.196 20 30 EEEDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528399314 267017329 /nfs/dbraw/zinc/01/73/29/267017329.db2.gz VOGQMFWBJHXWTG-GOSISDBHSA-N 2 0 331.460 2.104 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000530233249 268303881 /nfs/dbraw/zinc/30/38/81/268303881.db2.gz VXFAONQHXVKKTN-LJQANCHMSA-N 2 0 343.471 2.295 20 30 EEEDRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1cncn1C)N(C)C ZINC000329214436 465269443 /nfs/dbraw/zinc/26/94/43/465269443.db2.gz LDLGTSRYVUTHRZ-QSJFSLAZSA-N 2 0 335.496 2.346 20 30 EEEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131928935 462834405 /nfs/dbraw/zinc/83/44/05/462834405.db2.gz KGLVLFSHCVPWEU-QGZVFWFLSA-N 2 0 339.395 2.494 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491298101 468344519 /nfs/dbraw/zinc/34/45/19/468344519.db2.gz TZNCALHAKIKJLC-LJQANCHMSA-N 2 0 348.535 2.239 20 30 EEEDRP C[N@H+](CCNC(=O)C1CC[NH+](CCCC#N)CC1)Cc1ccccc1 ZINC000081156125 463399759 /nfs/dbraw/zinc/39/97/59/463399759.db2.gz IKBBORPTDWCOHD-UHFFFAOYSA-N 2 0 342.487 2.250 20 30 EEEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264131937 464286670 /nfs/dbraw/zinc/28/66/70/464286670.db2.gz YFGKPWCABXRZFC-INIZCTEOSA-N 2 0 343.519 2.176 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000264316290 464294282 /nfs/dbraw/zinc/29/42/82/464294282.db2.gz WDMRQRWFQWGZAH-DLBZAZTESA-N 2 0 347.507 2.114 20 30 EEEDRP C#CCN(C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000294987167 464671811 /nfs/dbraw/zinc/67/18/11/464671811.db2.gz KZWDIGHYPLPOSR-UHFFFAOYSA-N 2 0 325.456 2.364 20 30 EEEDRP C=CCN1CC[C@@H](N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740026 464677702 /nfs/dbraw/zinc/67/77/02/464677702.db2.gz YCGNTKOGKMBZEX-TZIWHRDSSA-N 2 0 339.483 2.371 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593884533 468419660 /nfs/dbraw/zinc/41/96/60/468419660.db2.gz XXADFPWZTLEWEL-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268099609 464950641 /nfs/dbraw/zinc/95/06/41/464950641.db2.gz WHULKCAGEHHUTQ-CYBMUJFWSA-N 2 0 339.827 2.137 20 30 EEEDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OCC#N)cc1 ZINC000362031597 466499647 /nfs/dbraw/zinc/49/96/47/466499647.db2.gz CDZDNXVDLNHFAS-WMZOPIPTSA-N 2 0 342.487 2.408 20 30 EEEDRP CN(c1ccccc1C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC[NH+](C)CC1 ZINC000592522130 468719100 /nfs/dbraw/zinc/71/91/00/468719100.db2.gz IFJCIRUNCKJUOA-FQEVSTJZSA-N 2 0 342.487 2.067 20 30 EEEDRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315544 468936861 /nfs/dbraw/zinc/93/68/61/468936861.db2.gz LEVNTQUOGCCKQO-SCTDSRPQSA-N 2 0 329.444 2.285 20 30 EEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000611392005 469240066 /nfs/dbraw/zinc/24/00/66/469240066.db2.gz IJPFZGFBKLJUSW-IEBWSBKVSA-N 2 0 340.471 2.113 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)C(C)C ZINC000649297182 470534834 /nfs/dbraw/zinc/53/48/34/470534834.db2.gz RBYSICFVRJFGRA-LJQANCHMSA-N 2 0 341.499 2.298 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000369592924 526723367 /nfs/dbraw/zinc/72/33/67/526723367.db2.gz ROMADZJUUJNMNV-HXUWFJFHSA-N 2 0 339.483 2.255 20 30 EEEDRP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093132665 526871897 /nfs/dbraw/zinc/87/18/97/526871897.db2.gz MQAIQNPZNQTKTO-IBGZPJMESA-N 2 0 329.488 2.463 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000105139744 527648375 /nfs/dbraw/zinc/64/83/75/527648375.db2.gz YCUUMOLUASJFCX-QZTJIDSGSA-N 2 0 336.524 2.421 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1c(C)nc2ccccc21 ZINC000104156036 529100326 /nfs/dbraw/zinc/10/03/26/529100326.db2.gz PSVOFBANFBRRNU-INIZCTEOSA-N 2 0 342.491 2.123 20 30 EEEDRP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000775344471 577435527 /nfs/dbraw/zinc/43/55/27/577435527.db2.gz IGRMLUATTALSDP-UXHICEINSA-N 2 0 328.456 2.432 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000763939809 577728254 /nfs/dbraw/zinc/72/82/54/577728254.db2.gz CEEVBLOCVKGWKF-SFHVURJKSA-N 2 0 331.460 2.066 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)CC1 ZINC001021470020 676119168 /nfs/dbraw/zinc/11/91/68/676119168.db2.gz RMSONOFQLUSDJS-IHWFROFDSA-N 2 0 343.515 2.243 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133672 675633828 /nfs/dbraw/zinc/63/38/28/675633828.db2.gz JWFNATMLONYXAK-RTBURBONSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001021089985 675715931 /nfs/dbraw/zinc/71/59/31/675715931.db2.gz KIVBTXNUKUNDAV-WGSAOQKQSA-N 2 0 343.515 2.149 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022165752 676713157 /nfs/dbraw/zinc/71/31/57/676713157.db2.gz DVHWVKGVJVZGBI-VBQJREDUSA-N 2 0 346.500 2.231 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(C)c2)C1 ZINC000971703230 676747732 /nfs/dbraw/zinc/74/77/32/676747732.db2.gz BAOPOGVRALPMKH-ROUUACIJSA-N 2 0 345.512 2.187 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001022596411 677973412 /nfs/dbraw/zinc/97/34/12/677973412.db2.gz KEQNDEZDDNGLQM-UDTPNQRGSA-N 2 0 340.471 2.025 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001023761520 679567075 /nfs/dbraw/zinc/56/70/75/679567075.db2.gz BQWVJHGJLYHHRJ-SFHVURJKSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001023762026 679568744 /nfs/dbraw/zinc/56/87/44/679568744.db2.gz PFQDIRXNRPZLRH-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811350 681463098 /nfs/dbraw/zinc/46/30/98/681463098.db2.gz RDNNXLPTLBJLPK-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542066 681864281 /nfs/dbraw/zinc/86/42/81/681864281.db2.gz KWCGINFOYODDOH-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802591 682257509 /nfs/dbraw/zinc/25/75/09/682257509.db2.gz QVNOFSMQWLSWFW-SFHVURJKSA-N 2 0 329.488 2.419 20 30 EEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261991802 682748759 /nfs/dbraw/zinc/74/87/59/682748759.db2.gz RLPIQMBMNZRYDP-UHOSZYNNSA-N 2 0 336.524 2.185 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585070 683042108 /nfs/dbraw/zinc/04/21/08/683042108.db2.gz NFNGVIARRPMTHE-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001025631224 683169704 /nfs/dbraw/zinc/16/97/04/683169704.db2.gz YRACNXQNPWSHBA-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801460 683970715 /nfs/dbraw/zinc/97/07/15/683970715.db2.gz NGQQNAYCVRSGEA-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984047272 684017582 /nfs/dbraw/zinc/01/75/82/684017582.db2.gz JPOHPHLHXNBEIL-SNRMKQJTSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598439 685114329 /nfs/dbraw/zinc/11/43/29/685114329.db2.gz CIWFKVCTKWATSD-HKUYNNGSSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974686918 685224784 /nfs/dbraw/zinc/22/47/84/685224784.db2.gz ZEZUYTOPEWTZTF-ROUUACIJSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+]=C(NCC1(CCO)CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262748467 688316078 /nfs/dbraw/zinc/31/60/78/688316078.db2.gz AYZTVJROOWZQJH-QGZVFWFLSA-N 2 0 336.524 2.065 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040245701 692637350 /nfs/dbraw/zinc/63/73/50/692637350.db2.gz WMDSPLYLJRVGMH-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646009 692874686 /nfs/dbraw/zinc/87/46/86/692874686.db2.gz VPCBECBPTDRVOK-GOSISDBHSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H](C)CC)[C@H](C)C2)CC1 ZINC001107034293 1192859698 /nfs/dbraw/zinc/85/96/98/1192859698.db2.gz UHRMTMUTYLIELH-ZHALLVOQSA-N 2 0 333.520 2.062 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001482213113 1184173504 /nfs/dbraw/zinc/17/35/04/1184173504.db2.gz CKAASDAKZQGFIK-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP N#CCCCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001271255656 1186106370 /nfs/dbraw/zinc/10/63/70/1186106370.db2.gz MYDRDEUHDHAUTG-MSOLQXFVSA-N 2 0 329.448 2.128 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752832784 1187614944 /nfs/dbraw/zinc/61/49/44/1187614944.db2.gz JLRIUYMJEYHLCD-RTBURBONSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001486124250 1193688735 /nfs/dbraw/zinc/68/87/35/1193688735.db2.gz NJLMLMWYIKQZPJ-AEFFLSMTSA-N 2 0 349.906 2.492 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001033685910 1195068472 /nfs/dbraw/zinc/06/84/72/1195068472.db2.gz XEFYASYQYRSYDQ-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138110 1195810862 /nfs/dbraw/zinc/81/08/62/1195810862.db2.gz NSXFTRPLUXOMAT-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034683900 1196544738 /nfs/dbraw/zinc/54/47/38/1196544738.db2.gz OJSYMERAKLSOEV-SHTZXODSSA-N 2 0 325.884 2.384 20 30 EEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001273146501 1197026457 /nfs/dbraw/zinc/02/64/57/1197026457.db2.gz NTUGBQDQZJBHCM-PKOBYXMFSA-N 2 0 342.487 2.090 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000871911291 1197968741 /nfs/dbraw/zinc/96/87/41/1197968741.db2.gz GTALHDQCHDOVNV-SFHVURJKSA-N 2 0 328.460 2.185 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001132554553 1199860245 /nfs/dbraw/zinc/86/02/45/1199860245.db2.gz IYULJBGTEQEWCN-IBGZPJMESA-N 2 0 344.503 2.402 20 30 EEEDRP C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000886660803 1202541242 /nfs/dbraw/zinc/54/12/42/1202541242.db2.gz GJTKBJPEEFURID-HKUYNNGSSA-N 2 0 329.488 2.375 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000104177029 1204612558 /nfs/dbraw/zinc/61/25/58/1204612558.db2.gz WSKGHNVRNWVZHJ-FUHWJXTLSA-N 2 0 332.492 2.399 20 30 EEEDRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)cc3)(C1)CCC2 ZINC001275829124 1205554373 /nfs/dbraw/zinc/55/43/73/1205554373.db2.gz RDUWYIPKKRZPRM-UXHICEINSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000778175838 1207787245 /nfs/dbraw/zinc/78/72/45/1207787245.db2.gz COUUOYXGGMUBJP-UHFFFAOYSA-N 2 0 349.906 2.468 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000948039477 1208834157 /nfs/dbraw/zinc/83/41/57/1208834157.db2.gz HMPXZDDDNBDQHK-ICSRJNTNSA-N 2 0 339.483 2.103 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603435 1215248383 /nfs/dbraw/zinc/24/83/83/1215248383.db2.gz SDPCVGYLYOKEMR-ZWKOTPCHSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000960332687 1216499787 /nfs/dbraw/zinc/49/97/87/1216499787.db2.gz DCYIFSVRCAOHEO-GUDVDZBRSA-N 2 0 327.472 2.419 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960485247 1216620127 /nfs/dbraw/zinc/62/01/27/1216620127.db2.gz CJCLVQULKMGORE-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199639 1217085140 /nfs/dbraw/zinc/08/51/40/1217085140.db2.gz LARFNRJVJBQIJD-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964643726 1218507516 /nfs/dbraw/zinc/50/75/16/1218507516.db2.gz JKBNHHANCUSITB-HNSLBZJHSA-N 2 0 343.515 2.434 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001009630509 1223310080 /nfs/dbraw/zinc/31/00/80/1223310080.db2.gz WYEMXVZGAIYAJL-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001038632597 1226610534 /nfs/dbraw/zinc/61/05/34/1226610534.db2.gz YTUJJSXPTCGTJO-KKUMJFAQSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016698834 1226793690 /nfs/dbraw/zinc/79/36/90/1226793690.db2.gz QWXYHUUHXFDADX-SFHVURJKSA-N 2 0 336.439 2.250 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@H](F)CC)CC3)CC1 ZINC001016986676 1227015537 /nfs/dbraw/zinc/01/55/37/1227015537.db2.gz SBJZRRYNBVYWGL-QZTJIDSGSA-N 2 0 349.494 2.050 20 30 EEEDRP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001019230108 1228897874 /nfs/dbraw/zinc/89/78/74/1228897874.db2.gz QNQOJBPOMLTKSN-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054729791 1248945465 /nfs/dbraw/zinc/94/54/65/1248945465.db2.gz BZOIEORVJPICCC-XJKSGUPXSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039277162 1230505290 /nfs/dbraw/zinc/50/52/90/1230505290.db2.gz ARHKBWGWKHSYTL-AYHJJNSGSA-N 2 0 331.504 2.386 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209621 1231105323 /nfs/dbraw/zinc/10/53/23/1231105323.db2.gz LJRGAZMEFARCMY-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040745289 1231355986 /nfs/dbraw/zinc/35/59/86/1231355986.db2.gz KWXKIXWJTXPQIN-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040848213 1231386982 /nfs/dbraw/zinc/38/69/82/1231386982.db2.gz FVXPQOHNELNKRZ-ZBFHGGJFSA-N 2 0 339.911 2.251 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844925 1231728184 /nfs/dbraw/zinc/72/81/84/1231728184.db2.gz PMAQKGHSLGBTJI-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP CC#CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045615163 1233859696 /nfs/dbraw/zinc/85/96/96/1233859696.db2.gz FNZJHXZXIJVMDB-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938826 1234193956 /nfs/dbraw/zinc/19/39/56/1234193956.db2.gz MARMCTWJOBAXML-GGPKGHCWSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947539 1234210133 /nfs/dbraw/zinc/21/01/33/1234210133.db2.gz GNWPLYXSFVOAJG-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045960177 1234234647 /nfs/dbraw/zinc/23/46/47/1234234647.db2.gz BTTKGPHXZBISRO-BJLQDIEVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966169 1234244980 /nfs/dbraw/zinc/24/49/80/1234244980.db2.gz QCCMJKHREQKGGV-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCC3)C2)CC1 ZINC001046850603 1235248135 /nfs/dbraw/zinc/24/81/35/1235248135.db2.gz XOAUZIORLHDMKB-FQEVSTJZSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953325 1235349517 /nfs/dbraw/zinc/34/95/17/1235349517.db2.gz CTLKSIUOIOTAMD-CQSZACIVSA-N 2 0 334.370 2.207 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048536953 1237905761 /nfs/dbraw/zinc/90/57/61/1237905761.db2.gz GSGZWSLGUCUOJP-BCDXTJNWSA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584142 1238026754 /nfs/dbraw/zinc/02/67/54/1238026754.db2.gz UXCAXMKIKBTOLH-BJWYYQGGSA-N 2 0 340.471 2.144 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107414 1240019167 /nfs/dbraw/zinc/01/91/67/1240019167.db2.gz ISEIGRYOWJZRHR-FCGDIQPGSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049161567 1240156749 /nfs/dbraw/zinc/15/67/49/1240156749.db2.gz ZNRQDVFBROJLJO-KDURUIRLSA-N 2 0 331.504 2.075 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235416 1240340327 /nfs/dbraw/zinc/34/03/27/1240340327.db2.gz KALZQNIVFOCBBR-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791089 1242194144 /nfs/dbraw/zinc/19/41/44/1242194144.db2.gz PQRLKMJNOVMJET-PMACEKPBSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001073899217 1242762149 /nfs/dbraw/zinc/76/21/49/1242762149.db2.gz NVRNVGYLGMUYJJ-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001050636656 1244003819 /nfs/dbraw/zinc/00/38/19/1244003819.db2.gz LETFWMGJKKFPMP-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050726391 1244223140 /nfs/dbraw/zinc/22/31/40/1244223140.db2.gz ARPHYTMMDWIIEE-HXUWFJFHSA-N 2 0 339.483 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)CC2)CC1 ZINC001052952326 1245541494 /nfs/dbraw/zinc/54/14/94/1245541494.db2.gz CPTCXXXNZAVIEP-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310491 1245643033 /nfs/dbraw/zinc/64/30/33/1245643033.db2.gz IXKMBUYSTWZHLM-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464574 1245865310 /nfs/dbraw/zinc/86/53/10/1245865310.db2.gz NSDLIGLENUNKQF-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001101548960 1245953227 /nfs/dbraw/zinc/95/32/27/1245953227.db2.gz SKAFACSGIWDROK-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646709 1246584239 /nfs/dbraw/zinc/58/42/39/1246584239.db2.gz CRPGBKVRVFWQEB-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054147781 1247526609 /nfs/dbraw/zinc/52/66/09/1247526609.db2.gz XYPOOANQZRRAPD-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209330 1247724091 /nfs/dbraw/zinc/72/40/91/1247724091.db2.gz OWEZMUCRVFPEFH-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001054296168 1248077043 /nfs/dbraw/zinc/07/70/43/1248077043.db2.gz GROCMBBYCHKNCS-SXLOBPIMSA-N 2 0 339.483 2.426 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C)[NH+](C)C ZINC001074885615 1257192671 /nfs/dbraw/zinc/19/26/71/1257192671.db2.gz OGGKBBVJGKYOAC-KKXDTOCCSA-N 2 0 346.450 2.117 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099275233 1258054350 /nfs/dbraw/zinc/05/43/50/1258054350.db2.gz VTMOSRCNSLKZDY-RBSFLKMASA-N 2 0 347.425 2.272 20 30 EEEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001099552967 1258201813 /nfs/dbraw/zinc/20/18/13/1258201813.db2.gz QJNUWGQPVHFNII-MUGJNUQGSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081742 1278134754 /nfs/dbraw/zinc/13/47/54/1278134754.db2.gz RFUGTORPGSQXCZ-DLBZAZTESA-N 2 0 339.524 2.326 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001185669544 1278754992 /nfs/dbraw/zinc/75/49/92/1278754992.db2.gz SWUSRSNFUJICGX-OAHLLOKOSA-N 2 0 332.448 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@H](C)C2)CC1 ZINC001185730780 1278767529 /nfs/dbraw/zinc/76/75/29/1278767529.db2.gz NVOMNNUDIKIGLQ-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185778284 1278777320 /nfs/dbraw/zinc/77/73/20/1278777320.db2.gz HXRBHKXGLWMIQE-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185751627 1278785904 /nfs/dbraw/zinc/78/59/04/1278785904.db2.gz PKRFSNCPJNSXNU-MSOLQXFVSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001186093904 1278948937 /nfs/dbraw/zinc/94/89/37/1278948937.db2.gz FKIGOCXATZXVAX-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050686 1281208440 /nfs/dbraw/zinc/20/84/40/1281208440.db2.gz LBEUIPCDVHDOQY-SFHVURJKSA-N 2 0 330.476 2.407 20 30 EEEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424267 1282502229 /nfs/dbraw/zinc/50/22/29/1282502229.db2.gz KJESMQUPAJDWPD-RTBURBONSA-N 2 0 327.472 2.235 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001152330206 1284548316 /nfs/dbraw/zinc/54/83/16/1284548316.db2.gz IUNMMWXJJSHDGR-FQEVSTJZSA-N 2 0 339.483 2.115 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198959400 1285442571 /nfs/dbraw/zinc/44/25/71/1285442571.db2.gz AQBFMHLITOGRGL-AEFFLSMTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960692 1285444729 /nfs/dbraw/zinc/44/47/29/1285444729.db2.gz LGXUDEPZCBJUQO-AEFFLSMTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1OC ZINC001198966993 1285449392 /nfs/dbraw/zinc/44/93/92/1285449392.db2.gz AFVGJZKKTLOVHI-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201412057 1289558974 /nfs/dbraw/zinc/55/89/74/1289558974.db2.gz VORRUPNZEHDCTG-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001201762470 1289747679 /nfs/dbraw/zinc/74/76/79/1289747679.db2.gz MEVNYTDYAITHJW-QZTJIDSGSA-N 2 0 339.524 2.068 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148534 1289931345 /nfs/dbraw/zinc/93/13/45/1289931345.db2.gz XMYQXZAGJIMVIS-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC3CC3)C2)CC1 ZINC001072095585 1295238266 /nfs/dbraw/zinc/23/82/66/1295238266.db2.gz KWCXXEHJCCDYDO-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213721378 1296146409 /nfs/dbraw/zinc/14/64/09/1296146409.db2.gz MNTVNEXFYDQFJZ-RCCFBDPRSA-N 2 0 339.524 2.114 20 30 EEEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993267 1297899136 /nfs/dbraw/zinc/89/91/36/1297899136.db2.gz LVCRZSJXIJZRHP-MSOLQXFVSA-N 2 0 332.407 2.103 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345733 1299065212 /nfs/dbraw/zinc/06/52/12/1299065212.db2.gz QRIWMJAVNCZDOH-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707246 1300236574 /nfs/dbraw/zinc/23/65/74/1300236574.db2.gz QYNOIYFMTGGMGT-CEXWTWQISA-N 2 0 333.520 2.299 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360392 1302815594 /nfs/dbraw/zinc/81/55/94/1302815594.db2.gz BYUCRLPYDQZFOS-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103756963 1303302521 /nfs/dbraw/zinc/30/25/21/1303302521.db2.gz HIXVPMYNWVMAPN-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112193181 1304314647 /nfs/dbraw/zinc/31/46/47/1304314647.db2.gz OGOZQRBPRKOAHC-ZIAGYGMSSA-N 2 0 345.409 2.027 20 30 EEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546493 1305318908 /nfs/dbraw/zinc/31/89/08/1305318908.db2.gz PSSOTESRHRLVGJ-QZTJIDSGSA-N 2 0 349.519 2.225 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768777 1305753435 /nfs/dbraw/zinc/75/34/35/1305753435.db2.gz GSBPBAGHUFAWAQ-MSOLQXFVSA-N 2 0 331.504 2.435 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000841396999 1315545928 /nfs/dbraw/zinc/54/59/28/1315545928.db2.gz JEXKAJKKVPIDMA-LJQANCHMSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937464 1316096454 /nfs/dbraw/zinc/09/64/54/1316096454.db2.gz SJBRZZOMGOXTQU-DLBZAZTESA-N 2 0 339.524 2.279 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351386 1316240934 /nfs/dbraw/zinc/24/09/34/1316240934.db2.gz XKBSIDBGVQMSBE-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001151248250 1316487940 /nfs/dbraw/zinc/48/79/40/1316487940.db2.gz MCNWUSOAAFAZJR-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152147368 1316638602 /nfs/dbraw/zinc/63/86/02/1316638602.db2.gz MLHKZEGYJUYNRX-HZPDHXFCSA-N 2 0 347.890 2.270 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC001152329981 1316657682 /nfs/dbraw/zinc/65/76/82/1316657682.db2.gz GLTLWWITNWNHCY-GOSISDBHSA-N 2 0 341.499 2.415 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481362 1317155220 /nfs/dbraw/zinc/15/52/20/1317155220.db2.gz OKBDSGKCMKAGBG-QGZVFWFLSA-N 2 0 329.488 2.254 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894342 1317373227 /nfs/dbraw/zinc/37/32/27/1317373227.db2.gz MKGZWUGNIUDZBE-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[C@H](O)C[NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001252621285 1317647962 /nfs/dbraw/zinc/64/79/62/1317647962.db2.gz ZWKQJVCAUTXKRV-INIZCTEOSA-N 2 0 343.512 2.140 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158065082 1318991524 /nfs/dbraw/zinc/99/15/24/1318991524.db2.gz DNYICOYJPXFWDZ-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001160273120 1320118705 /nfs/dbraw/zinc/11/87/05/1320118705.db2.gz HSGAMCJEXYOKHK-QGZVFWFLSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466834 1320169291 /nfs/dbraw/zinc/16/92/91/1320169291.db2.gz KPBIKKBFNHPESX-RBUKOAKNSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC=C(C)C)CC2)CC1 ZINC001161946761 1320688337 /nfs/dbraw/zinc/68/83/37/1320688337.db2.gz BLWAOOWYXYPNAS-UHFFFAOYSA-N 2 0 343.515 2.436 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001162928090 1320989884 /nfs/dbraw/zinc/98/98/84/1320989884.db2.gz FAXKRXMKZXWJET-MJGOQNOKSA-N 2 0 329.488 2.031 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960535 1320996968 /nfs/dbraw/zinc/99/69/68/1320996968.db2.gz XTXCEDRVTINVJL-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001163820503 1321225084 /nfs/dbraw/zinc/22/50/84/1321225084.db2.gz FUFDYEJHWMVFTH-IBGZPJMESA-N 2 0 339.483 2.008 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC(=C)C)C23CCC3)CC1 ZINC001203773319 1321958316 /nfs/dbraw/zinc/95/83/16/1321958316.db2.gz VIVGLYNNMJHCSX-RTBURBONSA-N 2 0 343.515 2.315 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1F ZINC001205663560 1323234424 /nfs/dbraw/zinc/23/44/24/1323234424.db2.gz CWVDARYFPUFSAD-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207489277 1323993098 /nfs/dbraw/zinc/99/30/98/1323993098.db2.gz YCPXFVAYXUTIBS-UHFFFAOYSA-N 3 0 334.552 2.010 20 30 EEEDRP CC[NH+]1CCC(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001208598849 1324582065 /nfs/dbraw/zinc/58/20/65/1324582065.db2.gz YZPMKOSKFKTTPE-UHFFFAOYSA-N 2 0 327.476 2.197 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210493468 1325309001 /nfs/dbraw/zinc/30/90/01/1325309001.db2.gz LOPNWTNIFBUYLA-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001340044219 1337115203 /nfs/dbraw/zinc/11/52/03/1337115203.db2.gz GQCOCBMNCCRKMV-HNNXBMFYSA-N 2 0 325.522 2.148 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200478391 1338356559 /nfs/dbraw/zinc/35/65/59/1338356559.db2.gz ISOCUHFLPGUIAS-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001574925393 1343712697 /nfs/dbraw/zinc/71/26/97/1343712697.db2.gz PBIYAGHBEGWAMN-HOTGVXAUSA-N 2 0 334.512 2.301 20 30 EEEDRP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001668623024 1355974658 /nfs/dbraw/zinc/97/46/58/1355974658.db2.gz HHRAXUNXZWERDD-SFHVURJKSA-N 2 0 348.466 2.222 20 30 EEEDRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152224269 1368552658 /nfs/dbraw/zinc/55/26/58/1368552658.db2.gz UCEDNKVLSZCDLC-UHFFFAOYSA-N 2 0 347.890 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(=C)C)CCCCC2)CC1 ZINC001120197066 1371813630 /nfs/dbraw/zinc/81/36/30/1371813630.db2.gz UPXFQIZIIPEPGT-UHFFFAOYSA-N 2 0 331.504 2.316 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100730794 1373141795 /nfs/dbraw/zinc/14/17/95/1373141795.db2.gz PBGZAVYIWRUEDY-FHERZECASA-N 2 0 327.900 2.488 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC1)[NH+](C)C ZINC001370221634 1374847116 /nfs/dbraw/zinc/84/71/16/1374847116.db2.gz HCFCTJKGIRGCKE-MSOLQXFVSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001371662280 1375563057 /nfs/dbraw/zinc/56/30/57/1375563057.db2.gz YKEDCCQFDLTZKR-KGLIPLIRSA-N 2 0 346.313 2.254 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001374323229 1376682724 /nfs/dbraw/zinc/68/27/24/1376682724.db2.gz WDYLVORNETWMNE-KBXCAEBGSA-N 2 0 348.466 2.220 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001376870368 1378815281 /nfs/dbraw/zinc/81/52/81/1378815281.db2.gz WNSXNWXFOFUNIW-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001376962182 1378873849 /nfs/dbraw/zinc/87/38/49/1378873849.db2.gz BIYJKKWJPQRAQN-MOPGFXCFSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001392251532 1389927795 /nfs/dbraw/zinc/92/77/95/1389927795.db2.gz VHNZFKKFONWKEY-KBPBESRZSA-N 2 0 348.329 2.212 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001392602565 1390111583 /nfs/dbraw/zinc/11/15/83/1390111583.db2.gz OFKNCFOCSYUYCN-AWEZNQCLSA-N 2 0 348.516 2.334 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001393876967 1390571772 /nfs/dbraw/zinc/57/17/72/1390571772.db2.gz AOGIZHBRVQUEOP-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCCC(F)(F)F)CC1 ZINC001752920832 1406548294 /nfs/dbraw/zinc/54/82/94/1406548294.db2.gz HJSARVZWBHNDMH-CQSZACIVSA-N 2 0 347.425 2.159 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400202717 1396046260 /nfs/dbraw/zinc/04/62/60/1396046260.db2.gz LDVAKECPKRDFOW-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001402898032 1398264371 /nfs/dbraw/zinc/26/43/71/1398264371.db2.gz DYOPVHWNCWJGPH-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CCC2)CC1 ZINC001424197379 1400963835 /nfs/dbraw/zinc/96/38/35/1400963835.db2.gz OLYPIRNZVVYXTR-UHFFFAOYSA-N 2 0 340.471 2.029 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001574908834 1403528532 /nfs/dbraw/zinc/52/85/32/1403528532.db2.gz XYNSDSDGZDGVJC-GOSISDBHSA-N 2 0 331.460 2.265 20 30 EEEDRP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755360157 1407357111 /nfs/dbraw/zinc/35/71/11/1407357111.db2.gz SEPMSAFAJZYQMS-LPHOPBHVSA-N 2 0 339.499 2.487 20 30 EEEDRP C#CCC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755531099 1407596344 /nfs/dbraw/zinc/59/63/44/1407596344.db2.gz BIRBPBJEVPTLOD-UHFFFAOYSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121234329 1410217663 /nfs/dbraw/zinc/21/76/63/1410217663.db2.gz YHBQWMXRNLENAM-QAELIBMJSA-N 2 0 331.504 2.290 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001121791289 1410243860 /nfs/dbraw/zinc/24/38/60/1410243860.db2.gz KEQWJAYPNXVALS-UFQJCFOOSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232691 757537304 /nfs/dbraw/zinc/53/73/04/757537304.db2.gz MMZRIQXSSMYEMH-IBGZPJMESA-N 2 0 337.483 2.098 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087310599 761583208 /nfs/dbraw/zinc/58/32/08/761583208.db2.gz ZQNAWRUSBVXFOG-RLLQIKCJSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311620 761586826 /nfs/dbraw/zinc/58/68/26/761586826.db2.gz RESZHEWFABYHOY-QYZOEREBSA-N 2 0 345.531 2.345 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001105095411 769056802 /nfs/dbraw/zinc/05/68/02/769056802.db2.gz NYZJQQSPHBENQS-IAGOWNOFSA-N 2 0 345.487 2.442 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540340 770171719 /nfs/dbraw/zinc/17/17/19/770171719.db2.gz UDACCNSMPMXIKV-HNNXBMFYSA-N 2 0 328.460 2.001 20 30 EEEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001105412991 783026635 /nfs/dbraw/zinc/02/66/35/783026635.db2.gz HNNGCXIXSXBMLW-SBHAEUEKSA-N 2 0 341.499 2.463 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000237564603 773814035 /nfs/dbraw/zinc/81/40/35/773814035.db2.gz CCSJXAZMNZAGBP-MRXNPFEDSA-N 2 0 330.476 2.093 20 30 EEEDRP C#CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000179608806 774116117 /nfs/dbraw/zinc/11/61/17/774116117.db2.gz JDANAXUTWPDAAH-OALUTQOASA-N 2 0 348.535 2.378 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216237 774126518 /nfs/dbraw/zinc/12/65/18/774126518.db2.gz RBBBRTJKBBYMTJ-ARFHVFGLSA-N 2 0 337.895 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCC3CCCC3)C2)CC1 ZINC000980477350 774700942 /nfs/dbraw/zinc/70/09/42/774700942.db2.gz FBAJBKSWBXCIEV-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017218 776177585 /nfs/dbraw/zinc/17/75/85/776177585.db2.gz AOCKFJRFOUBMGK-INIZCTEOSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453991 776595071 /nfs/dbraw/zinc/59/50/71/776595071.db2.gz OLTDDMCHLSAQMH-CJNGLKHVSA-N 2 0 327.900 2.296 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089847717 777905974 /nfs/dbraw/zinc/90/59/74/777905974.db2.gz WVFQVDGZPKMTEO-XSLAGTTESA-N 2 0 331.504 2.216 20 30 EEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957605 778658430 /nfs/dbraw/zinc/65/84/30/778658430.db2.gz NIBSUXIIENTIID-GOSISDBHSA-N 2 0 325.472 2.309 20 30 EEEDRP C#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000809629344 783254323 /nfs/dbraw/zinc/25/43/23/783254323.db2.gz MZJNIQXKKWFOEV-NRFANRHFSA-N 2 0 349.478 2.047 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135307119 783565770 /nfs/dbraw/zinc/56/57/70/783565770.db2.gz ANAROQXPFYSSGA-OLZOCXBDSA-N 2 0 334.302 2.110 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135373349 783663443 /nfs/dbraw/zinc/66/34/43/783663443.db2.gz VWKHEGTTYLXBQF-KGLIPLIRSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035187974 784066626 /nfs/dbraw/zinc/06/66/26/784066626.db2.gz MLZTXPNADVCBOJ-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882900 784700013 /nfs/dbraw/zinc/70/00/13/784700013.db2.gz VMWXJDJDVUDBKK-CHWSQXEVSA-N 2 0 334.302 2.110 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976828 784926891 /nfs/dbraw/zinc/92/68/91/784926891.db2.gz OEYPMJOFEQCANC-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720152 785014705 /nfs/dbraw/zinc/01/47/05/785014705.db2.gz GUPOLEDZEFEQFC-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794802 785143994 /nfs/dbraw/zinc/14/39/94/785143994.db2.gz KAFFNQLSFPQFEM-IBGZPJMESA-N 2 0 337.483 2.309 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108164379 785456848 /nfs/dbraw/zinc/45/68/48/785456848.db2.gz WETDALCHSBBPOU-IBGZPJMESA-N 2 0 349.475 2.128 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001036082229 785783169 /nfs/dbraw/zinc/78/31/69/785783169.db2.gz GUEBOORVHHTVCI-GOEBONIOSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N(CC[NH3+])CC(=O)OCC)cc1 ZINC001170996377 787388923 /nfs/dbraw/zinc/38/89/23/787388923.db2.gz PFFHLBOOCMLDTM-GOSISDBHSA-N 2 0 331.460 2.338 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859369 788822357 /nfs/dbraw/zinc/82/23/57/788822357.db2.gz RLYKUGNCBUWPHO-YRXWBPOGSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000997122079 788983428 /nfs/dbraw/zinc/98/34/28/788983428.db2.gz UEDIXIBNRKBURR-CQSZACIVSA-N 2 0 333.501 2.273 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359571 789450227 /nfs/dbraw/zinc/45/02/27/789450227.db2.gz SBRPHNJDYDMJEV-GUDVDZBRSA-N 2 0 343.471 2.010 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904326 789621606 /nfs/dbraw/zinc/62/16/06/789621606.db2.gz BGWGLOZQNVNOKV-ZCNNSNEGSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1C ZINC001089909703 789828734 /nfs/dbraw/zinc/82/87/34/789828734.db2.gz YELRFLKCOFUTCA-YVSFHVDLSA-N 2 0 348.878 2.113 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC000998195701 792200885 /nfs/dbraw/zinc/20/08/85/792200885.db2.gz GUNZHSZQKAYBHI-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC/C=C\CC)C3)CC1 ZINC001148827997 792703272 /nfs/dbraw/zinc/70/32/72/792703272.db2.gz VXYJBVWEEDSSMT-WAYWQWQTSA-N 2 0 343.515 2.222 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198793 794445689 /nfs/dbraw/zinc/44/56/89/794445689.db2.gz RPOGKTVAKCYVAZ-ZYSHUDEJSA-N 2 0 345.462 2.238 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736320 794692400 /nfs/dbraw/zinc/69/24/00/794692400.db2.gz YHTGRCBHBBKLOJ-GJZGRUSLSA-N 2 0 325.884 2.146 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835141 795341063 /nfs/dbraw/zinc/34/10/63/795341063.db2.gz VJQSRDWGNCPEBX-ROUUACIJSA-N 2 0 342.487 2.343 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108006822 795484690 /nfs/dbraw/zinc/48/46/90/795484690.db2.gz DROLMNMANGLNON-IEBWSBKVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902958 796441155 /nfs/dbraw/zinc/44/11/55/796441155.db2.gz SOVLDZGIEANUED-RTBURBONSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC=C(C)C)C2)CC1 ZINC001036902852 796441517 /nfs/dbraw/zinc/44/15/17/796441517.db2.gz QVVCCLUKIFZIDQ-UXHICEINSA-N 2 0 343.515 2.221 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586922 796634103 /nfs/dbraw/zinc/63/41/03/796634103.db2.gz VXAATLDHOWJQSP-MRXNPFEDSA-N 2 0 327.513 2.184 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924152 796812839 /nfs/dbraw/zinc/81/28/39/796812839.db2.gz MKZDPRCTGVEVEI-KRWDZBQOSA-N 2 0 329.488 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094935987 797067925 /nfs/dbraw/zinc/06/79/25/797067925.db2.gz SDVMUEYCRARGOP-KKUMJFAQSA-N 2 0 325.884 2.192 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401616 798384909 /nfs/dbraw/zinc/38/49/09/798384909.db2.gz VVHLPCZLMXRMJC-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP O=C(CCC[NH+]1CCCCC1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176317450 798428486 /nfs/dbraw/zinc/42/84/86/798428486.db2.gz FHPAJYXSDYCORR-UHFFFAOYSA-N 2 0 341.499 2.400 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001176574435 798502099 /nfs/dbraw/zinc/50/20/99/798502099.db2.gz RRRXGUYTXYZNEF-OAHLLOKOSA-N 2 0 348.516 2.480 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176844188 798584642 /nfs/dbraw/zinc/58/46/42/798584642.db2.gz FZBAHRUVRPTHCT-OKILXGFUSA-N 2 0 334.489 2.088 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032924 798625381 /nfs/dbraw/zinc/62/53/81/798625381.db2.gz JDDAXVKGUQLFTP-UWVAXJGDSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001176926811 798630926 /nfs/dbraw/zinc/63/09/26/798630926.db2.gz VYKDFRGCLAFXRH-UHFFFAOYSA-N 2 0 341.499 2.245 20 30 EEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667651 799974412 /nfs/dbraw/zinc/97/44/12/799974412.db2.gz MELYIZFPFJPXKV-UXHICEINSA-N 2 0 341.499 2.489 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001180222368 800315200 /nfs/dbraw/zinc/31/52/00/800315200.db2.gz NOQVIRDZIJTVNC-BBRMVZONSA-N 2 0 334.489 2.039 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180372884 800404528 /nfs/dbraw/zinc/40/45/28/800404528.db2.gz KZGVHFVLDPMLQT-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592243 801681255 /nfs/dbraw/zinc/68/12/55/801681255.db2.gz DTGBNLGDUBVTRT-ZGXWSNOMSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184892990 802233074 /nfs/dbraw/zinc/23/30/74/802233074.db2.gz UCDJBBMSQRUYMO-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185054270 802305224 /nfs/dbraw/zinc/30/52/24/802305224.db2.gz YBKHNVRFVUVJIA-DZGCQCFKSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631684 802428258 /nfs/dbraw/zinc/42/82/58/802428258.db2.gz TYOIXBZLZIYZON-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217084 802520369 /nfs/dbraw/zinc/52/03/69/802520369.db2.gz NDTIMGULEJYQAL-XHSDSOJGSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071556 802822080 /nfs/dbraw/zinc/82/20/80/802822080.db2.gz GAYUPFBVOKRZKY-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398093 803436356 /nfs/dbraw/zinc/43/63/56/803436356.db2.gz AHEMCJJMNQRKKD-IBGZPJMESA-N 2 0 339.524 2.260 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108434678 803566641 /nfs/dbraw/zinc/56/66/41/803566641.db2.gz VBDJNIOCQXCYJE-IBGZPJMESA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169124887 803623095 /nfs/dbraw/zinc/62/30/95/803623095.db2.gz GGRNTAWUHUHADE-BJWYYQGGSA-N 2 0 333.476 2.332 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437261725 1089404826 /nfs/dbraw/zinc/40/48/26/1089404826.db2.gz LUPKJNJROXPNBQ-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437309198 1089466311 /nfs/dbraw/zinc/46/63/11/1089466311.db2.gz AGUZVQOQKSQFIU-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CCCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC001437753609 1090321760 /nfs/dbraw/zinc/32/17/60/1090321760.db2.gz PAVQSPVZFVPPMP-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001438753874 1091314141 /nfs/dbraw/zinc/31/41/41/1091314141.db2.gz NNWVOMQUHWXGBK-HZPDHXFCSA-N 2 0 327.900 2.488 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001444089791 1098620642 /nfs/dbraw/zinc/62/06/42/1098620642.db2.gz PUANAQADYKRSJF-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001496479448 1101070903 /nfs/dbraw/zinc/07/09/03/1101070903.db2.gz BOQWALLXQJGRGW-CJNGLKHVSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001503263258 1113882881 /nfs/dbraw/zinc/88/28/81/1113882881.db2.gz BFMSZIVLPKZGSK-AZUAARDMSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000491636624 246093261 /nfs/dbraw/zinc/09/32/61/246093261.db2.gz TVPWOZVULLDRDV-UHFFFAOYSA-N 2 0 327.472 2.148 20 30 EEEDRP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920829 162346437 /nfs/dbraw/zinc/34/64/37/162346437.db2.gz BCNPCBNDSHLKNU-JWTNVVGKSA-N 2 0 326.444 2.444 20 30 EEEDRP C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977427 464342952 /nfs/dbraw/zinc/34/29/52/464342952.db2.gz BLVSUVFHQPGEPR-HKUYNNGSSA-N 2 0 342.487 2.201 20 30 EEEDRP CC[NH+]=C(NC[C@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086763962 462580004 /nfs/dbraw/zinc/58/00/04/462580004.db2.gz SVQNUICPNLNZMX-IYHXRUFHSA-N 2 0 348.491 2.058 20 30 EEEDRP CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120217265 462974328 /nfs/dbraw/zinc/97/43/28/462974328.db2.gz AZJAZTRGFVCRGD-RTBURBONSA-N 2 0 348.535 2.438 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000287622000 463949020 /nfs/dbraw/zinc/94/90/20/463949020.db2.gz ILFMANSUPINKRD-UHFFFAOYSA-N 2 0 342.487 2.163 20 30 EEEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C[C@H](C)O1 ZINC000288801863 464058808 /nfs/dbraw/zinc/05/88/08/464058808.db2.gz ZGUWLXQVADPFHD-TXEJJXNPSA-N 2 0 326.391 2.191 20 30 EEEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293712052 464418154 /nfs/dbraw/zinc/41/81/54/464418154.db2.gz DYJBWBOEAGAZPP-ZWKOTPCHSA-N 2 0 342.487 2.441 20 30 EEEDRP C=CCN1CC[C@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000281927940 464637462 /nfs/dbraw/zinc/63/74/62/464637462.db2.gz HVAQEKCFQPQHQC-IBGZPJMESA-N 2 0 342.487 2.407 20 30 EEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000266973352 464891273 /nfs/dbraw/zinc/89/12/73/464891273.db2.gz HFLOZLNDHYLYAW-CYBMUJFWSA-N 2 0 328.382 2.452 20 30 EEEDRP CC#CCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000339748327 465486397 /nfs/dbraw/zinc/48/63/97/465486397.db2.gz CKTBWRGTXRSVIV-UHFFFAOYSA-N 2 0 327.472 2.031 20 30 EEEDRP C[N@@H+]1CCC[C@H](N2CCN(CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000363219525 466290053 /nfs/dbraw/zinc/29/00/53/466290053.db2.gz SPAHIOHCPINOHV-IBGZPJMESA-N 2 0 342.487 2.039 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000422163371 466668024 /nfs/dbraw/zinc/66/80/24/466668024.db2.gz FPWGHRGWWHZNCZ-MSOLQXFVSA-N 2 0 336.524 2.421 20 30 EEEDRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424153433 466991786 /nfs/dbraw/zinc/99/17/86/466991786.db2.gz KZOCCESHIHTHNO-RBUKOAKNSA-N 2 0 342.487 2.378 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000424157145 466992673 /nfs/dbraw/zinc/99/26/73/466992673.db2.gz PJDQPLGRFZYPLC-INIZCTEOSA-N 2 0 334.489 2.097 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000425648260 467118686 /nfs/dbraw/zinc/11/86/86/467118686.db2.gz GSDFQSHBBNLCHQ-GBESFXJTSA-N 2 0 348.535 2.421 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000533051215 468165403 /nfs/dbraw/zinc/16/54/03/468165403.db2.gz MJESIGCLRUPKQD-GOSISDBHSA-N 2 0 345.491 2.166 20 30 EEEDRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H](C#N)CCC#N)[C@@H](c2ccccc2)C1 ZINC000591725387 468511022 /nfs/dbraw/zinc/51/10/22/468511022.db2.gz WICOVGJQPYKICC-UYAOXDASSA-N 2 0 339.487 2.398 20 30 EEEDRP C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000611391889 469239933 /nfs/dbraw/zinc/23/99/33/469239933.db2.gz CVAICDIPYADAGH-JXFKEZNVSA-N 2 0 326.488 2.409 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625322905 470119189 /nfs/dbraw/zinc/11/91/89/470119189.db2.gz MMQNMBXUSQGCOP-MOPGFXCFSA-N 2 0 327.472 2.098 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000644669298 485499071 /nfs/dbraw/zinc/49/90/71/485499071.db2.gz VPNNRALZGZOKAK-HKUYNNGSSA-N 2 0 332.488 2.476 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000176989459 526743845 /nfs/dbraw/zinc/74/38/45/526743845.db2.gz SBMOAGMYDPSGER-UHFFFAOYSA-N 2 0 329.488 2.204 20 30 EEEDRP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000734281452 577286940 /nfs/dbraw/zinc/28/69/40/577286940.db2.gz KQYXHBZODYLIET-KRWDZBQOSA-N 2 0 346.519 2.132 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001021095867 675728449 /nfs/dbraw/zinc/72/84/49/675728449.db2.gz ATKPOWBROWUSBQ-IHRRRGAJSA-N 2 0 344.297 2.006 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC000972265307 678468195 /nfs/dbraw/zinc/46/81/95/678468195.db2.gz MMEHMCMHABPMEZ-RHSMWYFYSA-N 2 0 348.516 2.239 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1C#N ZINC001024366922 679883874 /nfs/dbraw/zinc/88/38/74/679883874.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259423 682338557 /nfs/dbraw/zinc/33/85/57/682338557.db2.gz NGFSZZLRQZPTHA-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)s1 ZINC000261969626 682697498 /nfs/dbraw/zinc/69/74/98/682697498.db2.gz CQWYUGYUHLSMPA-JTQLQIEISA-N 2 0 345.310 2.399 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978634625 693750386 /nfs/dbraw/zinc/75/03/86/693750386.db2.gz HEVYVYHXFUHQPJ-YSTOQKLRSA-N 2 0 343.515 2.101 20 30 EEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262756051 688354606 /nfs/dbraw/zinc/35/46/06/688354606.db2.gz HMMWIHYQTPHHQE-MRXNPFEDSA-N 2 0 335.540 2.043 20 30 EEEDRP CC[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262783437 688480923 /nfs/dbraw/zinc/48/09/23/688480923.db2.gz LXWYKTSVJJWCGZ-MRXNPFEDSA-N 2 0 347.532 2.214 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986353854 688503793 /nfs/dbraw/zinc/50/37/93/688503793.db2.gz JPKAMCJKXMMZKD-KXBFYZLASA-N 2 0 340.471 2.122 20 30 EEEDRP CN(CC[N@H+](C)CCCOc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000179129390 690644974 /nfs/dbraw/zinc/64/49/74/690644974.db2.gz DDALSGZIRBTOHK-UHFFFAOYSA-N 2 0 344.503 2.285 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964835 691331891 /nfs/dbraw/zinc/33/18/91/691331891.db2.gz FNDBUQQGNAYRON-MAUKXSAKSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088025 1193361550 /nfs/dbraw/zinc/36/15/50/1193361550.db2.gz ABCOSHMBAMUZDV-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001271012347 1185812831 /nfs/dbraw/zinc/81/28/31/1185812831.db2.gz FCNLMYZHJPUAEB-MAUKXSAKSA-N 2 0 349.906 2.468 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CC(C)C)C2)CC1 ZINC001088430133 1186866246 /nfs/dbraw/zinc/86/62/46/1186866246.db2.gz INNRMGGYLZHXEC-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105564075 1188180588 /nfs/dbraw/zinc/18/05/88/1188180588.db2.gz VWAVJLPPNBNDPW-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105577097 1188191165 /nfs/dbraw/zinc/19/11/65/1188191165.db2.gz QCJLLOUDILITRM-GOSISDBHSA-N 2 0 331.504 2.247 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001168320636 1188290863 /nfs/dbraw/zinc/29/08/63/1188290863.db2.gz HWDFYOAGLFYYKN-UHFFFAOYSA-N 2 0 341.499 2.254 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483266558 1190291546 /nfs/dbraw/zinc/29/15/46/1190291546.db2.gz ONMOMJVJVVRXFF-HNNXBMFYSA-N 2 0 330.476 2.130 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001128779784 1195487791 /nfs/dbraw/zinc/48/77/91/1195487791.db2.gz ZAYHUWDWAJGJQS-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396238 1196186393 /nfs/dbraw/zinc/18/63/93/1196186393.db2.gz DUSXRCHNWPRIQK-APWZRJJASA-N 2 0 337.483 2.193 20 30 EEEDRP CC[NH+]1CCC(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273143092 1196999296 /nfs/dbraw/zinc/99/92/96/1196999296.db2.gz BIUVKFGAOAQGFS-GOSISDBHSA-N 2 0 346.519 2.240 20 30 EEEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410292244 1197667572 /nfs/dbraw/zinc/66/75/72/1197667572.db2.gz NAMLXGXINYKOHQ-IAGOWNOFSA-N 2 0 346.500 2.041 20 30 EEEDRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001132269139 1199508708 /nfs/dbraw/zinc/50/87/08/1199508708.db2.gz FVUXIDFAXCRQRI-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000104169359 1204611535 /nfs/dbraw/zinc/61/15/35/1204611535.db2.gz PFXZHSNLJVNJHD-LJQANCHMSA-N 2 0 345.535 2.316 20 30 EEEDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001274920257 1205210060 /nfs/dbraw/zinc/21/00/60/1205210060.db2.gz GJRMZBNJSHXTEF-OAQYLSRUSA-N 2 0 340.515 2.450 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802371 1208723419 /nfs/dbraw/zinc/72/34/19/1208723419.db2.gz YJFCGBZDBLHTNR-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474767 1209161734 /nfs/dbraw/zinc/16/17/34/1209161734.db2.gz YVNIVOZVGQAJAZ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001006446127 1209795775 /nfs/dbraw/zinc/79/57/75/1209795775.db2.gz VORYKBIECCCSIH-QGZVFWFLSA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950630636 1210312521 /nfs/dbraw/zinc/31/25/21/1210312521.db2.gz AEKHLGHFPUFMNB-UXHICEINSA-N 2 0 341.499 2.442 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000303971846 1213933386 /nfs/dbraw/zinc/93/33/86/1213933386.db2.gz FENUKHMIYZYQDK-OAHLLOKOSA-N 2 0 346.475 2.082 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)CC1 ZINC001037276080 1216277834 /nfs/dbraw/zinc/27/78/34/1216277834.db2.gz GSGQNINADWXBIJ-RBUKOAKNSA-N 2 0 331.504 2.006 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961377004 1217165016 /nfs/dbraw/zinc/16/50/16/1217165016.db2.gz VIKOHMZUTHKXGW-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962049120 1217464725 /nfs/dbraw/zinc/46/47/25/1217464725.db2.gz HKFPTTFGKFZKTL-BWTSREIZSA-N 2 0 327.472 2.374 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404029 1217600721 /nfs/dbraw/zinc/60/07/21/1217600721.db2.gz KUFJWGHHHYQYCR-IEBWSBKVSA-N 2 0 342.487 2.079 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963801340 1218045851 /nfs/dbraw/zinc/04/58/51/1218045851.db2.gz RMNPZVOSOMBYHI-RJKRPDFYSA-N 2 0 331.504 2.454 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423947 1220500705 /nfs/dbraw/zinc/50/07/05/1220500705.db2.gz MJKPFTJWCHWWQK-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001037959850 1220753155 /nfs/dbraw/zinc/75/31/55/1220753155.db2.gz NDERXXMPMDOEOF-CABCVRRESA-N 2 0 325.884 2.051 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326765 1221210938 /nfs/dbraw/zinc/21/09/38/1221210938.db2.gz IOSUZJSHZIZACM-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419415 1221289570 /nfs/dbraw/zinc/28/95/70/1221289570.db2.gz ULWUJRFGNCBEIW-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968915805 1221666842 /nfs/dbraw/zinc/66/68/42/1221666842.db2.gz RCRHGLHHYFHDDI-ZBFHGGJFSA-N 2 0 325.884 2.336 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001016820729 1226903620 /nfs/dbraw/zinc/90/36/20/1226903620.db2.gz SSTWJBLXALRKAM-LJQANCHMSA-N 2 0 339.483 2.008 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017148179 1227170534 /nfs/dbraw/zinc/17/05/34/1227170534.db2.gz GRIHHGNWYAOTGE-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001020250857 1229583019 /nfs/dbraw/zinc/58/30/19/1229583019.db2.gz UVKDWTLEDRSMNS-UFYCRDLUSA-N 2 0 339.483 2.138 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153966 1230373723 /nfs/dbraw/zinc/37/37/23/1230373723.db2.gz LWXCKESWQBYBFW-RTBURBONSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167413 1230391416 /nfs/dbraw/zinc/39/14/16/1230391416.db2.gz TVLOSKIZNGRZCA-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209617 1231105271 /nfs/dbraw/zinc/10/52/71/1231105271.db2.gz LJRGAZMEFARCMY-NLWGTHIKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845955 1231728991 /nfs/dbraw/zinc/72/89/91/1231728991.db2.gz TXDDSUBHNXXJSA-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063462 1231862334 /nfs/dbraw/zinc/86/23/34/1231862334.db2.gz XGUKLRRIHVNXQW-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001045895799 1234127717 /nfs/dbraw/zinc/12/77/17/1234127717.db2.gz OOSVFLLGYHYGKY-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945647 1234206856 /nfs/dbraw/zinc/20/68/56/1234206856.db2.gz WEPIWVGWDRIOOD-ICSRJNTNSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001046950803 1235346097 /nfs/dbraw/zinc/34/60/97/1235346097.db2.gz LMCFAWYRZCLUJE-JKSUJKDBSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047256367 1235759678 /nfs/dbraw/zinc/75/96/78/1235759678.db2.gz JQKKPRBGXQWBTR-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048577614 1238006229 /nfs/dbraw/zinc/00/62/29/1238006229.db2.gz DNLXTZMPVTYKSV-GGPHIMKMSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097921 1239992925 /nfs/dbraw/zinc/99/29/25/1239992925.db2.gz XCJBITDNMDCZPQ-IXDOHACOSA-N 2 0 339.911 2.392 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290166 1240136572 /nfs/dbraw/zinc/13/65/72/1240136572.db2.gz OTMYPVVZCQVUKC-RBUKOAKNSA-N 2 0 343.515 2.387 20 30 EEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001001144777 1241723030 /nfs/dbraw/zinc/72/30/30/1241723030.db2.gz OJZFSXSNMNBLJS-QGZVFWFLSA-N 2 0 328.460 2.078 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764755 1242126105 /nfs/dbraw/zinc/12/61/05/1242126105.db2.gz FGIVAEZQTDYPNQ-GBESFXJTSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913453 1242677384 /nfs/dbraw/zinc/67/73/84/1242677384.db2.gz YFDXIRYMRYCJIP-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508039 1244279914 /nfs/dbraw/zinc/27/99/14/1244279914.db2.gz UEMBPKRUZUSCDE-NXHRZFHOSA-N 2 0 337.427 2.179 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299849 1245500087 /nfs/dbraw/zinc/50/00/87/1245500087.db2.gz PXTHJSSMKYGOFA-JXFKEZNVSA-N 2 0 341.499 2.435 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135954 1247490427 /nfs/dbraw/zinc/49/04/27/1247490427.db2.gz NAKMZSYNQFHBDE-NLWGTHIKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551576 1247542185 /nfs/dbraw/zinc/54/21/85/1247542185.db2.gz FVRZEUWLLICYTJ-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895576 1254762133 /nfs/dbraw/zinc/76/21/33/1254762133.db2.gz AFYXVLOEFLEKIS-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001073115847 1255697989 /nfs/dbraw/zinc/69/79/89/1255697989.db2.gz BZYJKMSIMMXMMP-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001074877664 1257185362 /nfs/dbraw/zinc/18/53/62/1257185362.db2.gz GCYZNXFOZJJGML-BXWFABGCSA-N 2 0 340.471 2.122 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299355 1278317357 /nfs/dbraw/zinc/31/73/57/1278317357.db2.gz WQOBTFLZDZQUOT-KBPBESRZSA-N 2 0 348.516 2.334 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC(C)C)[C@H](C)C2)CC1 ZINC001185729424 1278766721 /nfs/dbraw/zinc/76/67/21/1278766721.db2.gz HRRPVYYJUFYXKY-UYAOXDASSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC(=C)C)[C@@H](C)C2)CC1 ZINC001185741411 1278768862 /nfs/dbraw/zinc/76/88/62/1278768862.db2.gz LAQQUMUBKSSSCO-ICSRJNTNSA-N 2 0 345.531 2.372 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201061839 1287259601 /nfs/dbraw/zinc/25/96/01/1287259601.db2.gz BNLSWOBBTKMJJB-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C[NH+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675480 1281012966 /nfs/dbraw/zinc/01/29/66/1281012966.db2.gz ONVCAAOWPGMUCE-HXUWFJFHSA-N 2 0 339.483 2.055 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001190777460 1281070031 /nfs/dbraw/zinc/07/00/31/1281070031.db2.gz VCWZLZPVWXAFBQ-PMACEKPBSA-N 2 0 341.499 2.157 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001205764308 1283960598 /nfs/dbraw/zinc/96/05/98/1283960598.db2.gz VYLSUVOYNNDHQU-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001197914149 1284884131 /nfs/dbraw/zinc/88/41/31/1284884131.db2.gz LKQRQOCENSGQPJ-UHFFFAOYSA-N 2 0 346.450 2.073 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198760454 1285348532 /nfs/dbraw/zinc/34/85/32/1285348532.db2.gz WXDHROVKAFRKLB-PKOBYXMFSA-N 2 0 345.487 2.358 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098187755 1286716577 /nfs/dbraw/zinc/71/65/77/1286716577.db2.gz GTBROLSOHXFAQY-QRVBRYPASA-N 2 0 331.504 2.406 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389129 1289552045 /nfs/dbraw/zinc/55/20/45/1289552045.db2.gz KMNYJFUDVYYGCX-CVEARBPZSA-N 2 0 345.915 2.066 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558387 1289665727 /nfs/dbraw/zinc/66/57/27/1289665727.db2.gz OCGRUDQEADQUTN-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC001202208678 1289942255 /nfs/dbraw/zinc/94/22/55/1289942255.db2.gz UIRITUXZJMINNO-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769333 1296164797 /nfs/dbraw/zinc/16/47/97/1296164797.db2.gz PRYIHGXKFZBFOU-IAGOWNOFSA-N 2 0 327.513 2.114 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219888 1296770045 /nfs/dbraw/zinc/77/00/45/1296770045.db2.gz PKAVMTXEZVDYSG-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2onc(C)c2c2c1C[NH2+]CC2 ZINC001218451610 1297668021 /nfs/dbraw/zinc/66/80/21/1297668021.db2.gz HKHPXYWJISFJGO-HUUCEWRRSA-N 2 0 328.416 2.252 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073898999 1297668833 /nfs/dbraw/zinc/66/88/33/1297668833.db2.gz IMQDZWAROZQQGG-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C[C@H](C)O2 ZINC001098589739 1298640501 /nfs/dbraw/zinc/64/05/01/1298640501.db2.gz LHSQGXXKTXEBDR-ZWKOTPCHSA-N 2 0 349.519 2.127 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548754 1299210089 /nfs/dbraw/zinc/21/00/89/1299210089.db2.gz ZYYCBLLVRJIWBI-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001224576295 1300656347 /nfs/dbraw/zinc/65/63/47/1300656347.db2.gz KSNAZJOHGNRKKD-UHFFFAOYSA-N 2 0 329.488 2.175 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001224911342 1300778652 /nfs/dbraw/zinc/77/86/52/1300778652.db2.gz MDGKQWPPAJMMMR-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001226553699 1301457481 /nfs/dbraw/zinc/45/74/81/1301457481.db2.gz FOEUNGITARBDPO-HZPDHXFCSA-N 2 0 333.501 2.464 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773874 1303317835 /nfs/dbraw/zinc/31/78/35/1303317835.db2.gz XLERTFZMBBPLJR-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232366284 1304096834 /nfs/dbraw/zinc/09/68/34/1304096834.db2.gz UQWYVBJSUFSWML-UHFFFAOYSA-N 2 0 335.455 2.337 20 30 EEEDRP C=CC[NH2+]CCN1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001235612744 1305299927 /nfs/dbraw/zinc/29/99/27/1305299927.db2.gz SJSZQHBWNUAGGD-BYICEURKSA-N 2 0 347.528 2.140 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1c(F)cc(C#N)cc1F ZINC001235653930 1305316868 /nfs/dbraw/zinc/31/68/68/1305316868.db2.gz IGZJEDOURYBUCG-ZWKOTPCHSA-N 2 0 334.414 2.047 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115730227 1305681654 /nfs/dbraw/zinc/68/16/54/1305681654.db2.gz GEJBMMROYJKVAE-CQSZACIVSA-N 2 0 327.900 2.489 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768778 1305752638 /nfs/dbraw/zinc/75/26/38/1305752638.db2.gz GSBPBAGHUFAWAQ-QZTJIDSGSA-N 2 0 331.504 2.435 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001118149267 1306295074 /nfs/dbraw/zinc/29/50/74/1306295074.db2.gz BHIWBUIXDZPODX-KRWDZBQOSA-N 2 0 328.460 2.454 20 30 EEEDRP CC[NH+](CC)CCn1cc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cn1 ZINC001239193598 1309051936 /nfs/dbraw/zinc/05/19/36/1309051936.db2.gz ALVBSCNXZCLSBZ-UHFFFAOYSA-N 2 0 338.459 2.194 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121246446 1309957592 /nfs/dbraw/zinc/95/75/92/1309957592.db2.gz QCTWURKQKUUGHQ-UKEPKTAJSA-N 2 0 325.884 2.096 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866276 1320295884 /nfs/dbraw/zinc/29/58/84/1320295884.db2.gz AIFZMOAFAGVYQM-UXHICEINSA-N 2 0 339.483 2.151 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299708 1316229109 /nfs/dbraw/zinc/22/91/09/1316229109.db2.gz RECFLDZWPLSHHX-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480868 1316275575 /nfs/dbraw/zinc/27/55/75/1316275575.db2.gz QOVYPYMJTFGZRP-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200790 1317918751 /nfs/dbraw/zinc/91/87/51/1317918751.db2.gz QFZDXJMKNKVLNJ-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC001158038142 1318980334 /nfs/dbraw/zinc/98/03/34/1318980334.db2.gz NHJWHECLTRWIAN-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001158073543 1318996235 /nfs/dbraw/zinc/99/62/35/1318996235.db2.gz PEJRJOOTMJAGIC-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158154897 1319046712 /nfs/dbraw/zinc/04/67/12/1319046712.db2.gz BICRLMYBCJJCEH-GOSISDBHSA-N 2 0 330.476 2.407 20 30 EEEDRP N#Cc1cc(Nc2nc3c(s2)C[C@H]([NH3+])CC3)cc(C2C[NH2+]C2)c1 ZINC001159134519 1319630875 /nfs/dbraw/zinc/63/08/75/1319630875.db2.gz JXVZLUHTBHNUMM-CYBMUJFWSA-N 2 0 325.441 2.261 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161585288 1320548639 /nfs/dbraw/zinc/54/86/39/1320548639.db2.gz ZVWJPOZGPIMIFV-UHFFFAOYSA-N 2 0 339.483 2.302 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688552 1320588661 /nfs/dbraw/zinc/58/86/61/1320588661.db2.gz MCRHVEBWGRIGLS-NRFANRHFSA-N 2 0 339.483 2.235 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)(COC)CC1 ZINC001162327273 1320822967 /nfs/dbraw/zinc/82/29/67/1320822967.db2.gz PMLZDLGYTQULTE-UHFFFAOYSA-N 2 0 339.524 2.138 20 30 EEEDRP N#Cc1ccc2c(c1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164484996 1321393396 /nfs/dbraw/zinc/39/33/96/1321393396.db2.gz UMEGWJGDCMQMCS-UHFFFAOYSA-N 2 0 333.439 2.443 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164536641 1321411641 /nfs/dbraw/zinc/41/16/41/1321411641.db2.gz PBOZTOHCCIKQJY-QGZVFWFLSA-N 2 0 331.504 2.150 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](CC)CC ZINC001166424466 1321717240 /nfs/dbraw/zinc/71/72/40/1321717240.db2.gz HLJZQLKSQMYXRR-SFHVURJKSA-N 2 0 348.466 2.414 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203925472 1321991599 /nfs/dbraw/zinc/99/15/99/1321991599.db2.gz OZDGDBHNYBKWKQ-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205290316 1322342667 /nfs/dbraw/zinc/34/26/67/1322342667.db2.gz GMASZYNCNLMHNY-GOSISDBHSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461052 1323146062 /nfs/dbraw/zinc/14/60/62/1323146062.db2.gz DZHNIVKMNZUVTE-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001205666459 1323235730 /nfs/dbraw/zinc/23/57/30/1323235730.db2.gz ZNLTZRIEYCRDNU-UHFFFAOYSA-N 2 0 339.443 2.285 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001206287834 1323447633 /nfs/dbraw/zinc/44/76/33/1323447633.db2.gz KHKIXPITRBOFRO-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334121 1324433252 /nfs/dbraw/zinc/43/32/52/1324433252.db2.gz FVQBXIGOWRYUCG-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001208411147 1324481403 /nfs/dbraw/zinc/48/14/03/1324481403.db2.gz NIHDBFWGZBEJRU-RTBURBONSA-N 2 0 345.462 2.098 20 30 EEEDRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001276607685 1324760338 /nfs/dbraw/zinc/76/03/38/1324760338.db2.gz APHVLKPLZWHKFE-MOPGFXCFSA-N 2 0 346.475 2.042 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750895 1325414108 /nfs/dbraw/zinc/41/41/08/1325414108.db2.gz NVYNCBWUTHUATF-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP C=CC1(CC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[NH2+]C1 ZINC001574879445 1343708180 /nfs/dbraw/zinc/70/81/80/1343708180.db2.gz AHIQJLNMXQMQTL-INIZCTEOSA-N 2 0 327.472 2.494 20 30 EEEDRP C=CCCCn1c([C@H]2CCC[NH2+]C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001574916145 1343711377 /nfs/dbraw/zinc/71/13/77/1343711377.db2.gz RYZYYOYUENFICD-IRXDYDNUSA-N 2 0 346.523 2.242 20 30 EEEDRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001579530172 1344392585 /nfs/dbraw/zinc/39/25/85/1344392585.db2.gz RBQKVKFZCMXXAB-UZLBHIALSA-N 2 0 337.471 2.385 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001388737733 1387686010 /nfs/dbraw/zinc/68/60/10/1387686010.db2.gz XAFNROHNBVVQAT-JCNLHEQBSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523207 1367756100 /nfs/dbraw/zinc/75/61/00/1367756100.db2.gz YZTAUPCMGJSPGK-LPHOPBHVSA-N 2 0 342.487 2.368 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001115773246 1371706427 /nfs/dbraw/zinc/70/64/27/1371706427.db2.gz TYFGETLEWHZLNB-UHFFFAOYSA-N 2 0 327.472 2.404 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001367360335 1374154145 /nfs/dbraw/zinc/15/41/45/1374154145.db2.gz QUNSJDFJABFHQH-ZDUSSCGKSA-N 2 0 334.489 2.041 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001376962186 1378874306 /nfs/dbraw/zinc/87/43/06/1378874306.db2.gz BIYJKKWJPQRAQN-OALUTQOASA-N 2 0 342.487 2.417 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001378355071 1379885577 /nfs/dbraw/zinc/88/55/77/1379885577.db2.gz WXBGFOQEMVDPFO-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001393147641 1390342055 /nfs/dbraw/zinc/34/20/55/1390342055.db2.gz LXHFJDMLPOALNO-SFHVURJKSA-N 2 0 348.516 2.290 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122972 1390622637 /nfs/dbraw/zinc/62/26/37/1390622637.db2.gz GOZNPFRTOYLJLF-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001398523642 1393137210 /nfs/dbraw/zinc/13/72/10/1393137210.db2.gz OJLFJJPVDVFFCU-SFHVURJKSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001753749705 1406772331 /nfs/dbraw/zinc/77/23/31/1406772331.db2.gz ONGGROAJLQLIBS-LJQANCHMSA-N 2 0 333.520 2.396 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001403321844 1399763577 /nfs/dbraw/zinc/76/35/77/1399763577.db2.gz TVTIAESBTJXLNB-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001403359068 1399782759 /nfs/dbraw/zinc/78/27/59/1399782759.db2.gz UXPJMDAYLZZZJA-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001755125486 1407134526 /nfs/dbraw/zinc/13/45/26/1407134526.db2.gz XHUPXAWMLOJZIO-DOTOQJQBSA-N 2 0 331.460 2.195 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001075391407 757902056 /nfs/dbraw/zinc/90/20/56/757902056.db2.gz YZZZUVABFBRADK-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287984 757954358 /nfs/dbraw/zinc/95/43/58/757954358.db2.gz OMNBPWSEBRASNN-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001203407985 760811391 /nfs/dbraw/zinc/81/13/91/760811391.db2.gz SDIUDQVFIJNUGO-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992270 782734728 /nfs/dbraw/zinc/73/47/28/782734728.db2.gz MRDSJMANKMSVKS-QRVBRYPASA-N 2 0 333.520 2.321 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021099 782779936 /nfs/dbraw/zinc/77/99/36/782779936.db2.gz TYVZVUCTPHODQW-MSOLQXFVSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089638421 773644102 /nfs/dbraw/zinc/64/41/02/773644102.db2.gz BRZMOPDRNULBPN-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006881 778843328 /nfs/dbraw/zinc/84/33/28/778843328.db2.gz RNFPTZLQBAORKO-UXHICEINSA-N 2 0 341.499 2.442 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982295725 779609570 /nfs/dbraw/zinc/60/95/70/779609570.db2.gz BSRPCNAONJPXAW-SESVDKBCSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001028334221 780787799 /nfs/dbraw/zinc/78/77/99/780787799.db2.gz YAABZNQZNFREGK-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000809734213 783317457 /nfs/dbraw/zinc/31/74/57/783317457.db2.gz BAWUSIJWWQGTMC-QGZVFWFLSA-N 2 0 344.503 2.435 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184915 784021361 /nfs/dbraw/zinc/02/13/61/784021361.db2.gz PWRNQBFGJVYVCS-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197457 784031388 /nfs/dbraw/zinc/03/13/88/784031388.db2.gz ODMJWRLOBMONQR-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135743600 784352346 /nfs/dbraw/zinc/35/23/46/784352346.db2.gz MTJKEQXQTGEWNU-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135744327 784353774 /nfs/dbraw/zinc/35/37/74/784353774.db2.gz ZQUNDQCVXSXBIW-KBPBESRZSA-N 2 0 336.505 2.334 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395433 784439723 /nfs/dbraw/zinc/43/97/23/784439723.db2.gz WNPNRSLBBIFUOY-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001035544851 784653470 /nfs/dbraw/zinc/65/34/70/784653470.db2.gz DWMYSTGMFYXFSU-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035719843 785013284 /nfs/dbraw/zinc/01/32/84/785013284.db2.gz BRWDVXXJQRFTER-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc(OC)c1OC ZINC000817909443 785061336 /nfs/dbraw/zinc/06/13/36/785061336.db2.gz QZKKKJWCEAHBKH-XOKHGSTOSA-N 2 0 334.460 2.274 20 30 EEEDRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000819011506 785363410 /nfs/dbraw/zinc/36/34/10/785363410.db2.gz RZSJBLMRYZFRNQ-FQEVSTJZSA-N 2 0 339.439 2.322 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190689 786105972 /nfs/dbraw/zinc/10/59/72/786105972.db2.gz MXXDHMOWQDCNTF-ZWKOTPCHSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190679 786106540 /nfs/dbraw/zinc/10/65/40/786106540.db2.gz MXXDHMOWQDCNTF-MSOLQXFVSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996690730 787148686 /nfs/dbraw/zinc/14/86/86/787148686.db2.gz ZCJKSAKNQLOPBT-AWEZNQCLSA-N 2 0 346.313 2.062 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996905744 788133502 /nfs/dbraw/zinc/13/35/02/788133502.db2.gz SDQBPXNYLPUHBO-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001030024725 788199247 /nfs/dbraw/zinc/19/92/47/788199247.db2.gz OKCQLSUEGLAMCA-SXLOBPIMSA-N 2 0 339.483 2.426 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC(OC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001105733981 789305371 /nfs/dbraw/zinc/30/53/71/789305371.db2.gz ULZTUBBUAUHWEI-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000923288903 789317600 /nfs/dbraw/zinc/31/76/00/789317600.db2.gz MHWZDYVZKNFIBR-CGTJXYLNSA-N 2 0 348.487 2.223 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091111783 789793900 /nfs/dbraw/zinc/79/39/00/789793900.db2.gz CKELADGTRBTSEA-UYSNPLJNSA-N 2 0 327.900 2.344 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089908993 789797611 /nfs/dbraw/zinc/79/76/11/789797611.db2.gz HZDKMCPNQTYOHH-MUGJNUQGSA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001146341449 791213273 /nfs/dbraw/zinc/21/32/73/791213273.db2.gz YMGSNYHYKHAQHJ-ZWKOTPCHSA-N 2 0 327.472 2.007 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001146341442 791213901 /nfs/dbraw/zinc/21/39/01/791213901.db2.gz YJILAXZXVLVWOJ-CABCVRRESA-N 2 0 346.450 2.166 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593038 791361822 /nfs/dbraw/zinc/36/18/22/791361822.db2.gz MRXXUSFAXAUDNT-STQMWFEESA-N 2 0 334.302 2.108 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009808 791826245 /nfs/dbraw/zinc/82/62/45/791826245.db2.gz YXHPGNGMESMKCR-CEXWTWQISA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147716970 791923551 /nfs/dbraw/zinc/92/35/51/791923551.db2.gz PHQJSHIFEQFKNL-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147993660 792112904 /nfs/dbraw/zinc/11/29/04/792112904.db2.gz YTUHBTDZZWVXHF-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628907 792578942 /nfs/dbraw/zinc/57/89/42/792578942.db2.gz NMDLNAIBMBIQKP-BXWFABGCSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737962 792598694 /nfs/dbraw/zinc/59/86/94/792598694.db2.gz SOEVXWAISVLQEL-HBFSDRIKSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941005 793029543 /nfs/dbraw/zinc/02/95/43/793029543.db2.gz GZKHLEIPDYGQQR-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086953040 793089936 /nfs/dbraw/zinc/08/99/36/793089936.db2.gz XPCNQDZLZFFQKQ-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953181 793457167 /nfs/dbraw/zinc/45/71/67/793457167.db2.gz BKRWWNUMMIETMC-GNBUJSLZSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092190910 793653422 /nfs/dbraw/zinc/65/34/22/793653422.db2.gz ZRCFNJVIJNYPKX-HLAWJBBLSA-N 2 0 341.499 2.430 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303104 793779473 /nfs/dbraw/zinc/77/94/73/793779473.db2.gz ROXAMKUMADHZBO-HBFSDRIKSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001079197720 794475300 /nfs/dbraw/zinc/47/53/00/794475300.db2.gz XRTGXYXLBSUOLB-IPMKNSEASA-N 2 0 347.478 2.482 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000999627515 794759032 /nfs/dbraw/zinc/75/90/32/794759032.db2.gz DDYALLFRHHCZTN-UHFFFAOYSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755152 794786517 /nfs/dbraw/zinc/78/65/17/794786517.db2.gz ROYBFQRVAPYMEW-LPHOPBHVSA-N 2 0 336.439 2.202 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222116 794877649 /nfs/dbraw/zinc/87/76/49/794877649.db2.gz ICJDEMWPCWRHSN-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997248 795304034 /nfs/dbraw/zinc/30/40/34/795304034.db2.gz VCIAGKUWJGVMJG-APWZRJJASA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495758 796288288 /nfs/dbraw/zinc/28/82/88/796288288.db2.gz UDIGFUAWRXIKRD-QWFCFKBJSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089967829 796302701 /nfs/dbraw/zinc/30/27/01/796302701.db2.gz HYPLZQUZXIVDMS-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902983 796441529 /nfs/dbraw/zinc/44/15/29/796441529.db2.gz SXITUAZYRWGDMU-HKUYNNGSSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C/C=C\Cl)C2)CC1 ZINC001036904547 796447791 /nfs/dbraw/zinc/44/77/91/796447791.db2.gz UAUWWYGGPOHBJX-IEVYTLJRSA-N 2 0 349.906 2.007 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081180059 796679428 /nfs/dbraw/zinc/67/94/28/796679428.db2.gz YCTARJWZQPIBIW-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078725260 796884492 /nfs/dbraw/zinc/88/44/92/796884492.db2.gz MPPJPNOLFLAIQW-OALUTQOASA-N 2 0 339.483 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819206 797024167 /nfs/dbraw/zinc/02/41/67/797024167.db2.gz JZJPZEKJFABBDB-QZTJIDSGSA-N 2 0 331.504 2.005 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070471 797056214 /nfs/dbraw/zinc/05/62/14/797056214.db2.gz KPCHOHDTPRLDDN-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[NH+]=C(NCC1CC[NH+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000153772186 797444704 /nfs/dbraw/zinc/44/47/04/797444704.db2.gz ZJYFRQHVVHXMQI-MRXNPFEDSA-N 2 0 326.554 2.367 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[NH+](C)C ZINC001175048846 797977824 /nfs/dbraw/zinc/97/78/24/797977824.db2.gz LKHQDTFEDLUABC-INIZCTEOSA-N 2 0 330.476 2.275 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175115305 797986651 /nfs/dbraw/zinc/98/66/51/797986651.db2.gz NCZDWGLZLHHTJG-IAGOWNOFSA-N 2 0 327.513 2.040 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462193 798043596 /nfs/dbraw/zinc/04/35/96/798043596.db2.gz KNRQMJRUEARQOJ-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385856 798301204 /nfs/dbraw/zinc/30/12/04/798301204.db2.gz KHHFKOIRLRFBFF-QGZVFWFLSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048718 798447467 /nfs/dbraw/zinc/44/74/67/798447467.db2.gz BWBLKNCBTWCDAG-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566147 798500014 /nfs/dbraw/zinc/50/00/14/798500014.db2.gz YTTPIMAMKSWLMZ-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCC)C2)CC1 ZINC001112584879 806704773 /nfs/dbraw/zinc/70/47/73/806704773.db2.gz NIUHRDJKPWCNMQ-FPOVZHCZSA-N 2 0 345.531 2.350 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC001178045727 799229866 /nfs/dbraw/zinc/22/98/66/799229866.db2.gz STDMJXLHVXGVJU-KRWDZBQOSA-N 2 0 348.516 2.480 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H]1C ZINC001179975803 800194264 /nfs/dbraw/zinc/19/42/64/800194264.db2.gz BZWLZIDWVSDLRK-ICSRJNTNSA-N 2 0 341.499 2.349 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639725 800951311 /nfs/dbraw/zinc/95/13/11/800951311.db2.gz UVWWWYCCFRMOOV-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[C@H](C)N1CCn2ncc(CNC(=O)[C@H](CC)[NH+](C)C)c2C1 ZINC001128498475 801271053 /nfs/dbraw/zinc/27/10/53/801271053.db2.gz DBRWDFQAYQXAKD-RDJZCZTQSA-N 2 0 347.507 2.010 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001183509180 801632859 /nfs/dbraw/zinc/63/28/59/801632859.db2.gz CCBOGMXLYJNCMV-DYESRHJHSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001184411560 802024224 /nfs/dbraw/zinc/02/42/24/802024224.db2.gz DVGMNYQTHRETTN-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108074090 802145366 /nfs/dbraw/zinc/14/53/66/802145366.db2.gz BLZCGQAQFWMJOW-LJQANCHMSA-N 2 0 342.443 2.121 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001185249185 802421037 /nfs/dbraw/zinc/42/10/37/802421037.db2.gz QVXYMZRBIZBPNJ-QGZVFWFLSA-N 2 0 347.890 2.224 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001108258280 802613018 /nfs/dbraw/zinc/61/30/18/802613018.db2.gz PTCRSJQFOXXWJQ-PKOBYXMFSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033159777 802667943 /nfs/dbraw/zinc/66/79/43/802667943.db2.gz ABYOGORMUKUIPC-UXHICEINSA-N 2 0 339.483 2.125 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109361222 805359554 /nfs/dbraw/zinc/35/95/54/805359554.db2.gz OWDYYMHTKJZSFB-QZWWFDLISA-N 2 0 325.472 2.354 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001086595690 809097744 /nfs/dbraw/zinc/09/77/44/809097744.db2.gz OFFOBRMKYDOPBM-OTWHNJEPSA-N 2 0 327.472 2.241 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001129417400 810831757 /nfs/dbraw/zinc/83/17/57/810831757.db2.gz NLXRPGKNSPZREJ-KRWDZBQOSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)CCC)C1 ZINC001130446286 811651974 /nfs/dbraw/zinc/65/19/74/811651974.db2.gz JZPRRIFWXBDWFU-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001438937610 1091620606 /nfs/dbraw/zinc/62/06/06/1091620606.db2.gz MFEPCUWLKSZBBK-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442202548 1096485961 /nfs/dbraw/zinc/48/59/61/1096485961.db2.gz XLFHIYFCQXSBMO-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001496371133 1100964506 /nfs/dbraw/zinc/96/45/06/1100964506.db2.gz YINGSIWYEFOFRL-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496601193 1101202866 /nfs/dbraw/zinc/20/28/66/1101202866.db2.gz YSCZFMTYBIXPKI-IBGZPJMESA-N 2 0 342.487 2.130 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422830942 240252414 /nfs/dbraw/zinc/25/24/14/240252414.db2.gz JAKQHZPRPUGZDG-UAFMIMERSA-N 2 0 335.536 2.432 20 30 EEEDRP C[C@H](NC(=O)N(C)Cc1nccn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329290178 465289872 /nfs/dbraw/zinc/28/98/72/465289872.db2.gz IIDNNJUQPHUVJP-GJZGRUSLSA-N 2 0 333.480 2.419 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000075800908 462759176 /nfs/dbraw/zinc/75/91/76/462759176.db2.gz CMMVQXQNQRCVTE-UHFFFAOYSA-N 2 0 329.488 2.206 20 30 EEEDRP CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120217121 462974009 /nfs/dbraw/zinc/97/40/09/462974009.db2.gz AZJAZTRGFVCRGD-RBUKOAKNSA-N 2 0 348.535 2.438 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000050025038 462984003 /nfs/dbraw/zinc/98/40/03/462984003.db2.gz PXPVMSWPOYIDJA-HXUWFJFHSA-N 2 0 339.483 2.285 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000050031095 462985388 /nfs/dbraw/zinc/98/53/88/462985388.db2.gz CTHMLXOLBRJMJQ-UHFFFAOYSA-N 2 0 341.499 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000079996374 463270258 /nfs/dbraw/zinc/27/02/58/463270258.db2.gz RIURQJPKWASZHU-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000057170889 463461222 /nfs/dbraw/zinc/46/12/22/463461222.db2.gz NRCAWWBATYLYDO-IBGZPJMESA-N 2 0 333.520 2.204 20 30 EEEDRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000126731068 463660084 /nfs/dbraw/zinc/66/00/84/463660084.db2.gz OQWTZKHGQKWPAR-UHFFFAOYSA-N 2 0 326.488 2.228 20 30 EEEDRP N#CC1(c2ccccc2)CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000126852872 463666661 /nfs/dbraw/zinc/66/66/61/463666661.db2.gz RERPLEXATJCUKO-IOJLRTSASA-N 2 0 327.472 2.437 20 30 EEEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185756617 463873927 /nfs/dbraw/zinc/87/39/27/463873927.db2.gz AYFDIIIILSPCGI-UXHICEINSA-N 2 0 326.488 2.476 20 30 EEEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185756554 463874031 /nfs/dbraw/zinc/87/40/31/463874031.db2.gz AYFDIIIILSPCGI-VQTJNVASSA-N 2 0 326.488 2.476 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CC#N)cc1 ZINC000270248781 464233265 /nfs/dbraw/zinc/23/32/65/464233265.db2.gz DYXDIIXFLKJRIV-IBGZPJMESA-N 2 0 342.487 2.241 20 30 EEEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264103282 464283057 /nfs/dbraw/zinc/28/30/57/464283057.db2.gz ORERNRAGAQICKK-UHFFFAOYSA-N 2 0 331.508 2.293 20 30 EEEDRP N#Cc1ccc(N2CC[C@H](N3CC[C@@H](Oc4ccncc4)C3)C2=O)cc1 ZINC000568960108 468411183 /nfs/dbraw/zinc/41/11/83/468411183.db2.gz CXZMOBCZYAGSRL-MOPGFXCFSA-N 2 0 348.406 2.212 20 30 EEEDRP C#CCN(C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000295019473 464679526 /nfs/dbraw/zinc/67/95/26/464679526.db2.gz NPHRCZRQPKPCKD-UHFFFAOYSA-N 2 0 347.890 2.489 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182721564 464715689 /nfs/dbraw/zinc/71/56/89/464715689.db2.gz LQUOEZVJHRJYGJ-WMZOPIPTSA-N 2 0 334.508 2.153 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000274876703 464758695 /nfs/dbraw/zinc/75/86/95/464758695.db2.gz YQRSTVHDNKPLFO-PKOBYXMFSA-N 2 0 342.487 2.249 20 30 EEEDRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H](C)[NH3+] ZINC000593918306 468432395 /nfs/dbraw/zinc/43/23/95/468432395.db2.gz DXKGEGCPLRETSL-DNVCBOLYSA-N 2 0 342.487 2.258 20 30 EEEDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388475 466735927 /nfs/dbraw/zinc/73/59/27/466735927.db2.gz MTJYXPFQLRJJFZ-DOMZBBRYSA-N 2 0 326.366 2.045 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000417057947 466766687 /nfs/dbraw/zinc/76/66/87/466766687.db2.gz CTLGLYLPKDOITO-KZNAEPCWSA-N 2 0 336.524 2.372 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1cccs1 ZINC000424138993 466987849 /nfs/dbraw/zinc/98/78/49/466987849.db2.gz DRDHGUREORMWRO-IIAWOOMASA-N 2 0 334.489 2.268 20 30 EEEDRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424153428 466991906 /nfs/dbraw/zinc/99/19/06/466991906.db2.gz KZOCCESHIHTHNO-MOPGFXCFSA-N 2 0 342.487 2.378 20 30 EEEDRP C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1C#N)[NH+]1CCCCC1 ZINC000600734721 468641649 /nfs/dbraw/zinc/64/16/49/468641649.db2.gz KHWBGVHHJXSURJ-AEFFLSMTSA-N 2 0 331.460 2.152 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000562995542 469128395 /nfs/dbraw/zinc/12/83/95/469128395.db2.gz KUUUIEPOBBHFIF-GOSISDBHSA-N 2 0 331.460 2.010 20 30 EEEDRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602522191 469348560 /nfs/dbraw/zinc/34/85/60/469348560.db2.gz RGJUTZATCOXYND-LJQANCHMSA-N 2 0 342.487 2.402 20 30 EEEDRP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000131872960 526363795 /nfs/dbraw/zinc/36/37/95/526363795.db2.gz YSMHLPDOSKAENN-KRWDZBQOSA-N 2 0 347.507 2.217 20 30 EEEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(C#N)cc3)cc2)CC1 ZINC000771557909 577217739 /nfs/dbraw/zinc/21/77/39/577217739.db2.gz RLKLXYMQKIEHID-UHFFFAOYSA-N 2 0 333.439 2.434 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000970454614 675906358 /nfs/dbraw/zinc/90/63/58/675906358.db2.gz HRZYOOUKJMNFBX-SJLPKXTDSA-N 2 0 335.879 2.406 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039211527 676141207 /nfs/dbraw/zinc/14/12/07/676141207.db2.gz BEYSJGMRGBJTHO-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1 ZINC001020679118 675402267 /nfs/dbraw/zinc/40/22/67/675402267.db2.gz FZONBXUBLBMNFJ-WGSAOQKQSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)n1ccnc1 ZINC000970129763 675542604 /nfs/dbraw/zinc/54/26/04/675542604.db2.gz QTRAUJGBDWOOGB-UONOGXRCSA-N 2 0 343.456 2.158 20 30 EEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970212553 675721249 /nfs/dbraw/zinc/72/12/49/675721249.db2.gz HAHSTOSWFUOAJG-MRXNPFEDSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700442 676359681 /nfs/dbraw/zinc/35/96/81/676359681.db2.gz PWZSSBAUASVDEK-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001022221691 676742813 /nfs/dbraw/zinc/74/28/13/676742813.db2.gz KNHGAWMEKAPMSV-GGXPGOJBSA-N 2 0 343.446 2.221 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001022716664 678318339 /nfs/dbraw/zinc/31/83/39/678318339.db2.gz DNDYSOXKGUWXIK-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023125716 679134924 /nfs/dbraw/zinc/13/49/24/679134924.db2.gz VYXRDONZPWBCJG-RGCFKVTRSA-N 2 0 340.471 2.168 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583849 679356421 /nfs/dbraw/zinc/35/64/21/679356421.db2.gz ZKLSFGPMGLFVKC-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP [NH2+]=C(NCC[NH+]1CCCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176966104 679793133 /nfs/dbraw/zinc/79/31/33/679793133.db2.gz MIIIPDVKUNUIEY-UHFFFAOYSA-N 2 0 330.354 2.085 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982834440 681356972 /nfs/dbraw/zinc/35/69/72/681356972.db2.gz ZSCXTGZFOZIMBX-NRSPTQNISA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982554598 681637922 /nfs/dbraw/zinc/63/79/22/681637922.db2.gz YXCWRWGGOTYZET-BGYRXZFFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623688 681817792 /nfs/dbraw/zinc/81/77/92/681817792.db2.gz LGVWNSLCJMSYNT-RLLQIKCJSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710890 681950250 /nfs/dbraw/zinc/95/02/50/681950250.db2.gz RCLKDTXIOHZWFE-QGZVFWFLSA-N 2 0 329.488 2.419 20 30 EEEDRP C=C(Cl)CN1C[C@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000982735537 682120393 /nfs/dbraw/zinc/12/03/93/682120393.db2.gz IKLGLIMHUXYVJL-CALCHBBNSA-N 2 0 337.895 2.005 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000262004098 682786687 /nfs/dbraw/zinc/78/66/87/682786687.db2.gz VCOWJKODAZCVEW-HKUYNNGSSA-N 2 0 336.524 2.185 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527489 682956929 /nfs/dbraw/zinc/95/69/29/682956929.db2.gz HSKVUWDIFVLWQQ-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001026427934 684633027 /nfs/dbraw/zinc/63/30/27/684633027.db2.gz WXEAQQADRVGISI-QXAKKESOSA-N 2 0 327.472 2.374 20 30 EEEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262237158 684636244 /nfs/dbraw/zinc/63/62/44/684636244.db2.gz HKOPJTBWRLQHRU-SFHVURJKSA-N 2 0 330.476 2.259 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062891 686020429 /nfs/dbraw/zinc/02/04/29/686020429.db2.gz DJFXRUVGMNOOBJ-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000985493803 687031946 /nfs/dbraw/zinc/03/19/46/687031946.db2.gz XDTCGFXMXIWHHF-QGZVFWFLSA-N 2 0 348.516 2.383 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001029767606 687036744 /nfs/dbraw/zinc/03/67/44/687036744.db2.gz VSILUAKAMPGBBP-WMLDXEAASA-N 2 0 348.516 2.240 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C)CC1 ZINC000987568278 689844130 /nfs/dbraw/zinc/84/41/30/689844130.db2.gz HRQFRSWCIYSUHK-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964837 691331904 /nfs/dbraw/zinc/33/19/04/691331904.db2.gz FNDBUQQGNAYRON-YJBOKZPZSA-N 2 0 340.471 2.122 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964836 691331965 /nfs/dbraw/zinc/33/19/65/691331965.db2.gz FNDBUQQGNAYRON-QAPCUYQASA-N 2 0 340.471 2.122 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880468 1192643394 /nfs/dbraw/zinc/64/33/94/1192643394.db2.gz MCBDTOIEVIWUEW-YRPNKDGESA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)CC1 ZINC001752500660 1181894497 /nfs/dbraw/zinc/89/44/97/1181894497.db2.gz XIOQRCBLLOTDLM-LJQANCHMSA-N 2 0 331.504 2.006 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554351 1193145560 /nfs/dbraw/zinc/14/55/60/1193145560.db2.gz WPOAEPISFQDVSF-JKSUJKDBSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC=C(C)C)CC2)CC1 ZINC001168308784 1188280448 /nfs/dbraw/zinc/28/04/48/1188280448.db2.gz WQOHXJKJQCPYIO-UHFFFAOYSA-N 2 0 331.504 2.174 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001486124253 1193688689 /nfs/dbraw/zinc/68/86/89/1193688689.db2.gz NJLMLMWYIKQZPJ-WMZOPIPTSA-N 2 0 349.906 2.492 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752911081 1190899731 /nfs/dbraw/zinc/89/97/31/1190899731.db2.gz JOIQDSDETKCYTR-OAHLLOKOSA-N 2 0 335.879 2.128 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045244 1195697166 /nfs/dbraw/zinc/69/71/66/1195697166.db2.gz IXQZXCQVKQSHBQ-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139188 1195811538 /nfs/dbraw/zinc/81/15/38/1195811538.db2.gz SJSGOLLJAIWSFR-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445093 1196220078 /nfs/dbraw/zinc/22/00/78/1196220078.db2.gz PPUXTCRCNURLSJ-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C[NH+](C)CC1(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CCCC1 ZINC001273137129 1196719348 /nfs/dbraw/zinc/71/93/48/1196719348.db2.gz OUQOOKUZTURYDO-QZTJIDSGSA-N 2 0 346.519 2.477 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001411273190 1199025818 /nfs/dbraw/zinc/02/58/18/1199025818.db2.gz HIPTWAHOOAJJRO-ACBHZAAOSA-N 2 0 342.487 2.223 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001134750419 1199790960 /nfs/dbraw/zinc/79/09/60/1199790960.db2.gz XOUXREKLFBGQQF-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCC(C)C)C2)CC1 ZINC001133336784 1200759917 /nfs/dbraw/zinc/75/99/17/1200759917.db2.gz FOEWVORVALHNHO-AZUAARDMSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133338397 1200762567 /nfs/dbraw/zinc/76/25/67/1200762567.db2.gz VAHTYXQBPWWDHM-PXNSSMCTSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133342200 1200766291 /nfs/dbraw/zinc/76/62/91/1200766291.db2.gz NOUNDSNXIKPODL-PKOBYXMFSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133358718 1200789590 /nfs/dbraw/zinc/78/95/90/1200789590.db2.gz CVFFZWPMMBRMGZ-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(CC[NH2+]CC)Cc1cccc(Cl)c1 ZINC001133399698 1200845950 /nfs/dbraw/zinc/84/59/50/1200845950.db2.gz VMQKIPCJIXVUFP-SFHVURJKSA-N 2 0 347.890 2.376 20 30 EEEDRP Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C#N)n1 ZINC000881872428 1201780026 /nfs/dbraw/zinc/78/00/26/1201780026.db2.gz CRNHACTUUPZAHA-UHFFFAOYSA-N 2 0 336.443 2.281 20 30 EEEDRP N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274266639 1204979794 /nfs/dbraw/zinc/97/97/94/1204979794.db2.gz ADFPJEFKJHWREM-LJQANCHMSA-N 2 0 337.427 2.291 20 30 EEEDRP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001274267288 1204981358 /nfs/dbraw/zinc/98/13/58/1204981358.db2.gz CTZJYYXZVLAYSA-QZTJIDSGSA-N 2 0 337.427 2.432 20 30 EEEDRP C#CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001275975026 1205613110 /nfs/dbraw/zinc/61/31/10/1205613110.db2.gz HJKNGXWILZARPQ-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001276242305 1205850843 /nfs/dbraw/zinc/85/08/43/1205850843.db2.gz JUKOEMCDZGSESO-UHFFFAOYSA-N 2 0 326.488 2.212 20 30 EEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948786234 1209375433 /nfs/dbraw/zinc/37/54/33/1209375433.db2.gz VYUZTTFKKGSDOP-BRWVUGGUSA-N 2 0 330.476 2.413 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)[NH+]1CCCCC1)CCO2 ZINC000949095460 1209533329 /nfs/dbraw/zinc/53/33/29/1209533329.db2.gz MNMVUBSEFPZVOS-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1 ZINC001111309253 1210105306 /nfs/dbraw/zinc/10/53/06/1210105306.db2.gz MRKVYSNZEUWSLE-XYPHTWIQSA-N 2 0 346.500 2.183 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccc2ccccc21 ZINC000303778324 1213904932 /nfs/dbraw/zinc/90/49/32/1213904932.db2.gz JMFBSLPIEIUONH-QGZVFWFLSA-N 2 0 327.476 2.420 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001037125860 1213983068 /nfs/dbraw/zinc/98/30/68/1213983068.db2.gz OSPIGOFXARCORW-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000957633809 1215278428 /nfs/dbraw/zinc/27/84/28/1215278428.db2.gz PKGGAWZSPNZRIL-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+](CC)C3)CC2)CC1 ZINC000961436909 1217189575 /nfs/dbraw/zinc/18/95/75/1217189575.db2.gz XZVOQOQBVRPJKV-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1CC ZINC001037966685 1220796444 /nfs/dbraw/zinc/79/64/44/1220796444.db2.gz MLZIMUZSPFFAPQ-NVXWUHKLSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC000968925415 1221675472 /nfs/dbraw/zinc/67/54/72/1221675472.db2.gz CPTMRGBYMNHDOP-DLBZAZTESA-N 2 0 330.476 2.382 20 30 EEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600825 1222955274 /nfs/dbraw/zinc/95/52/74/1222955274.db2.gz BLNRGQTVZXFVST-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860530 1226927790 /nfs/dbraw/zinc/92/77/90/1226927790.db2.gz IQNIYCJLPZTCSC-MSOLQXFVSA-N 2 0 331.504 2.243 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020146244 1229509726 /nfs/dbraw/zinc/50/97/26/1229509726.db2.gz YCZDAPLTWNUQGJ-GUDVDZBRSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039138920 1230353371 /nfs/dbraw/zinc/35/33/71/1230353371.db2.gz YRXSUMACSDDFIH-VQTJNVASSA-N 2 0 345.531 2.158 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001039286576 1230509567 /nfs/dbraw/zinc/50/95/67/1230509567.db2.gz BLOPNCLRXDTIEY-ZNXRZULTSA-N 2 0 349.438 2.016 20 30 EEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039321673 1230525986 /nfs/dbraw/zinc/52/59/86/1230525986.db2.gz LNWSXAZQBSZXGC-WZYMTQMTSA-N 2 0 325.884 2.192 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473513 1230637603 /nfs/dbraw/zinc/63/76/03/1230637603.db2.gz PJLWSHRJLLUTQN-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229064 1231117338 /nfs/dbraw/zinc/11/73/38/1231117338.db2.gz PEQPEWCOYGQXDU-IBGZPJMESA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542720 1231283933 /nfs/dbraw/zinc/28/39/33/1231283933.db2.gz CUPQBRMGNNBEKB-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545593 1231286309 /nfs/dbraw/zinc/28/63/09/1231286309.db2.gz RQAJFGQQKCSJEE-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040911217 1231402579 /nfs/dbraw/zinc/40/25/79/1231402579.db2.gz AGOOFSXISRUCDO-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@H](F)CC)C3)C2)CC1 ZINC001041844978 1231728136 /nfs/dbraw/zinc/72/81/36/1231728136.db2.gz QRURZLCTNUOKFU-QUCCMNQESA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCC(=C)C)[C@@H]3C2)CC1 ZINC001042369460 1232050874 /nfs/dbraw/zinc/05/08/74/1232050874.db2.gz YJTAEXLPRJJXMK-AZUAARDMSA-N 2 0 343.515 2.221 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001044674971 1233169469 /nfs/dbraw/zinc/16/94/69/1233169469.db2.gz YTLIIPFGCRVBRW-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045966675 1234246417 /nfs/dbraw/zinc/24/64/17/1234246417.db2.gz CGNYIQGQAMCDDQ-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001046950906 1235347431 /nfs/dbraw/zinc/34/74/31/1235347431.db2.gz MSMKZSCKZXHBQC-OAHLLOKOSA-N 2 0 341.446 2.264 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226774 1235701526 /nfs/dbraw/zinc/70/15/26/1235701526.db2.gz XHYHFWUGZQIJTA-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001048531372 1237886777 /nfs/dbraw/zinc/88/67/77/1237886777.db2.gz MFVWQAHZKUBWEO-FCGDIQPGSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574251 1237998763 /nfs/dbraw/zinc/99/87/63/1237998763.db2.gz TZEVJWOZDJJABX-OBKDMQGPSA-N 2 0 343.515 2.386 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048851517 1238986792 /nfs/dbraw/zinc/98/67/92/1238986792.db2.gz WNCHHNUKDRCDJY-IYBDPMFKSA-N 2 0 333.501 2.390 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107312 1240017820 /nfs/dbraw/zinc/01/78/20/1240017820.db2.gz DOSQDFKHYFFITG-VVLHAWIVSA-N 2 0 337.895 2.146 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049235023 1240339009 /nfs/dbraw/zinc/33/90/09/1240339009.db2.gz KMIVEUFROJUNQT-HDICACEKSA-N 2 0 327.472 2.328 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243827 1240362266 /nfs/dbraw/zinc/36/22/66/1240362266.db2.gz FUBXTAMWYQZYFY-CALCHBBNSA-N 2 0 343.471 2.149 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719553 1241983781 /nfs/dbraw/zinc/98/37/81/1241983781.db2.gz MUPPQKOVGGDSNF-PMACEKPBSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC4CCC4)C[C@H]32)CC1 ZINC001050208751 1243125289 /nfs/dbraw/zinc/12/52/89/1243125289.db2.gz QJCBQVLMNOXDAF-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097113184 1243717852 /nfs/dbraw/zinc/71/78/52/1243717852.db2.gz NCNXXIMAJLXYLG-KURKYZTESA-N 2 0 342.487 2.450 20 30 EEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716222 1244821399 /nfs/dbraw/zinc/82/13/99/1244821399.db2.gz KVQVKLIUKPBTAH-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101574865 1245978601 /nfs/dbraw/zinc/97/86/01/1245978601.db2.gz HGZFIUDHBNSPGO-SJLPKXTDSA-N 2 0 333.520 2.062 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)O2 ZINC001053621602 1246546517 /nfs/dbraw/zinc/54/65/17/1246546517.db2.gz IKTMHWFKMBKLRI-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255275 1246781980 /nfs/dbraw/zinc/78/19/80/1246781980.db2.gz YPTVENQIETUOBK-VQTJNVASSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054061145 1247275513 /nfs/dbraw/zinc/27/55/13/1247275513.db2.gz VOFFBDOEWHKUCK-MOPGFXCFSA-N 2 0 327.472 2.057 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129431 1247471567 /nfs/dbraw/zinc/47/15/67/1247471567.db2.gz QSJHNYWYCLVMGL-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133536 1247484125 /nfs/dbraw/zinc/48/41/25/1247484125.db2.gz FMZSSLJUMAHGMY-UYAOXDASSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225789 1247774901 /nfs/dbraw/zinc/77/49/01/1247774901.db2.gz DLNSSNSUIYYYHT-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243563 1247851748 /nfs/dbraw/zinc/85/17/48/1247851748.db2.gz JYSHXYVQHNFVIL-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001072080997 1254918045 /nfs/dbraw/zinc/91/80/45/1254918045.db2.gz FHWCSCDSTGPLBX-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099355 1254931119 /nfs/dbraw/zinc/93/11/19/1254931119.db2.gz PSKZFUOCRJRBTB-AEFFLSMTSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281855 1258058722 /nfs/dbraw/zinc/05/87/22/1258058722.db2.gz ZYCPEHSOHMOMPQ-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+]1CCCC1 ZINC001099552528 1258200263 /nfs/dbraw/zinc/20/02/63/1258200263.db2.gz OKSMYVWWFHUMAR-RDGPPVDQSA-N 2 0 331.504 2.217 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001134763176 1278012399 /nfs/dbraw/zinc/01/23/99/1278012399.db2.gz OSVKHNSIQSQCOB-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112592 1279768817 /nfs/dbraw/zinc/76/88/17/1279768817.db2.gz GULFISROSCAJTJ-GVDBMIGSSA-N 2 0 325.472 2.165 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188673265 1279982978 /nfs/dbraw/zinc/98/29/78/1279982978.db2.gz HHPGWYDCWPJPHF-OTWHNJEPSA-N 2 0 331.504 2.360 20 30 EEEDRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)c1 ZINC001152236830 1283719437 /nfs/dbraw/zinc/71/94/37/1283719437.db2.gz FWUKFZFSAIUDTM-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617385 1285246400 /nfs/dbraw/zinc/24/64/00/1285246400.db2.gz OMRMXLIMBTZJBB-SJORKVTESA-N 2 0 331.460 2.112 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CCCO1 ZINC001201668726 1289706827 /nfs/dbraw/zinc/70/68/27/1289706827.db2.gz KNNGEWQPLFGVEX-MSOLQXFVSA-N 2 0 339.524 2.136 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001211233870 1295772513 /nfs/dbraw/zinc/77/25/13/1295772513.db2.gz QQZHUMJECOCULJ-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](OC)C1 ZINC001213781812 1296170870 /nfs/dbraw/zinc/17/08/70/1296170870.db2.gz WTKTYJPKAJGNQN-IAGOWNOFSA-N 2 0 336.480 2.046 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697497 1297409253 /nfs/dbraw/zinc/40/92/53/1297409253.db2.gz KVZOYVNBCYSECI-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP C[NH2+][C@H](C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2)c1ccccc1 ZINC001218553285 1297711696 /nfs/dbraw/zinc/71/16/96/1297711696.db2.gz OVKFDGBLSIHSQA-HNNXBMFYSA-N 2 0 326.425 2.165 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220868616 1298566584 /nfs/dbraw/zinc/56/65/84/1298566584.db2.gz MDOJSOJTNMWWIL-QYZOEREBSA-N 2 0 327.472 2.494 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099280319 1298997274 /nfs/dbraw/zinc/99/72/74/1298997274.db2.gz FMSDXPIKSLYFGK-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001101541443 1299685062 /nfs/dbraw/zinc/68/50/62/1299685062.db2.gz GBONGMIOBBLHRZ-LJQANCHMSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551723 1299685156 /nfs/dbraw/zinc/68/51/56/1299685156.db2.gz ZAHZPXATYNLPEP-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185534 1302415534 /nfs/dbraw/zinc/41/55/34/1302415534.db2.gz BMHOPHHGAGEBPT-GDBMZVCRSA-N 2 0 339.911 2.442 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103537109 1303084959 /nfs/dbraw/zinc/08/49/59/1303084959.db2.gz SOVMOPMYKJBSSH-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648170 1303186054 /nfs/dbraw/zinc/18/60/54/1303186054.db2.gz XKUZBIPIWPIBGG-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccnc(C#N)c1 ZINC001237467555 1305946100 /nfs/dbraw/zinc/94/61/00/1305946100.db2.gz XBLIIPQCZIYMCN-UHFFFAOYSA-N 2 0 331.508 2.439 20 30 EEEDRP CCCCCCCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243900 1306305332 /nfs/dbraw/zinc/30/53/32/1306305332.db2.gz WNFDSOXFXLDAOC-INIZCTEOSA-N 2 0 345.553 2.141 20 30 EEEDRP N#Cc1c2c(cnc1-c1ccc(CN3CC[NH2+]CC3)cc1)C[NH2+]CCC2 ZINC001241975757 1309588392 /nfs/dbraw/zinc/58/83/92/1309588392.db2.gz HTYRIDCGUORRQO-UHFFFAOYSA-N 2 0 347.466 2.061 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246304298 1310276153 /nfs/dbraw/zinc/27/61/53/1310276153.db2.gz MEJLFEFIKYUISC-ZACQAIPSSA-N 2 0 325.497 2.114 20 30 EEEDRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccc(C#N)s2)c1 ZINC001152236869 1316649071 /nfs/dbraw/zinc/64/90/71/1316649071.db2.gz GYRMZZGBAZJKGI-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001152330335 1316657713 /nfs/dbraw/zinc/65/77/13/1316657713.db2.gz MEYRLHVAUOLXOU-CQSZACIVSA-N 2 0 349.425 2.077 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001152330007 1316657823 /nfs/dbraw/zinc/65/78/23/1316657823.db2.gz HITRDIAQANYRTQ-ROUUACIJSA-N 2 0 333.520 2.254 20 30 EEEDRP CCN(Cc1cc(C#N)ccc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152391683 1316665645 /nfs/dbraw/zinc/66/56/45/1316665645.db2.gz DIQWTGXMEWDFIQ-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153309321 1316808317 /nfs/dbraw/zinc/80/83/17/1316808317.db2.gz MFRQOVKWWLKPAJ-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362220 1316817239 /nfs/dbraw/zinc/81/72/39/1316817239.db2.gz KXPPABSKCFWDMM-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898295 1317375207 /nfs/dbraw/zinc/37/52/07/1317375207.db2.gz GLULUNGLGWASPT-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066869 1317440690 /nfs/dbraw/zinc/44/06/90/1317440690.db2.gz PHPMJCNWHJBJOL-VQIMIIECSA-N 2 0 344.503 2.471 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001155289169 1317540124 /nfs/dbraw/zinc/54/01/24/1317540124.db2.gz MOTGYSPEXOSUPR-APWZRJJASA-N 2 0 347.478 2.344 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252474019 1317611673 /nfs/dbraw/zinc/61/16/73/1317611673.db2.gz UYUHDYFAODIISD-SLFFLAALSA-N 2 0 330.472 2.004 20 30 EEEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552650 1317634631 /nfs/dbraw/zinc/63/46/31/1317634631.db2.gz LDQACJASHKHNMY-WMZOPIPTSA-N 2 0 334.460 2.272 20 30 EEEDRP N#Cc1c(N[C@H]2C[NH2+]Cc3ccsc32)ncc2c1CCC[NH2+]C2 ZINC001155559890 1317652277 /nfs/dbraw/zinc/65/22/77/1317652277.db2.gz REVZLFKULHMGKH-HNNXBMFYSA-N 2 0 325.441 2.307 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3nccc(Cl)c3C#N)CC2)CC1 ZINC001157835458 1318896088 /nfs/dbraw/zinc/89/60/88/1318896088.db2.gz CCDXMAUBUKNQPF-UHFFFAOYSA-N 2 0 333.867 2.070 20 30 EEEDRP N#CC1(Nc2ncnc3c2CNC3)CC[NH+](Cc2ccccc2)CC1 ZINC001160099817 1320069869 /nfs/dbraw/zinc/06/98/69/1320069869.db2.gz HYYPHKBBLRQZLB-UHFFFAOYSA-N 2 0 334.427 2.050 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466835 1320169578 /nfs/dbraw/zinc/16/95/78/1320169578.db2.gz KPBIKKBFNHPESX-RTBURBONSA-N 2 0 329.488 2.165 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001161090478 1320382627 /nfs/dbraw/zinc/38/26/27/1320382627.db2.gz VBQHRPXWLMACMN-UHFFFAOYSA-N 2 0 346.500 2.210 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001162929460 1320990890 /nfs/dbraw/zinc/99/08/90/1320990890.db2.gz YQAJOYCSGWZXHB-ICSRJNTNSA-N 2 0 343.515 2.421 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC001163224757 1321071200 /nfs/dbraw/zinc/07/12/00/1321071200.db2.gz YOTNQJOSGSCDLZ-IBGZPJMESA-N 2 0 340.471 2.029 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165736166 1321575479 /nfs/dbraw/zinc/57/54/79/1321575479.db2.gz IGJCUCSOLQBFKY-ZWKOTPCHSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001166634898 1321756027 /nfs/dbraw/zinc/75/60/27/1321756027.db2.gz YEDROHQCZSZUCY-INIZCTEOSA-N 2 0 347.890 2.272 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242954 1322329131 /nfs/dbraw/zinc/32/91/31/1322329131.db2.gz XCXFCTBHGPYAAM-MRXNPFEDSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284292 1322341918 /nfs/dbraw/zinc/34/19/18/1322341918.db2.gz LIPMOHXLHVUSSA-DLBZAZTESA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206948084 1323733277 /nfs/dbraw/zinc/73/32/77/1323733277.db2.gz UIXWKNLCXOQXTO-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001208861228 1324695632 /nfs/dbraw/zinc/69/56/32/1324695632.db2.gz GEPVDJHDULVIFB-UXHICEINSA-N 2 0 326.488 2.201 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202979778 1372533317 /nfs/dbraw/zinc/53/33/17/1372533317.db2.gz POQMLDDAAUVPKN-JKSUJKDBSA-N 2 0 345.512 2.464 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001367360518 1374154247 /nfs/dbraw/zinc/15/42/47/1374154247.db2.gz WDYLVORNETWMNE-KSSFIOAISA-N 2 0 348.466 2.220 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001375266332 1377560680 /nfs/dbraw/zinc/56/06/80/1377560680.db2.gz DEHJLRVYGMUDMB-RBUKOAKNSA-N 2 0 342.487 2.129 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414836 1379221717 /nfs/dbraw/zinc/22/17/17/1379221717.db2.gz NXRIZOQOSDPPFN-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001391692696 1389527239 /nfs/dbraw/zinc/52/72/39/1389527239.db2.gz GLPUYYVTIGXYHD-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001392232833 1389916312 /nfs/dbraw/zinc/91/63/12/1389916312.db2.gz IOILSPAOZDUEAT-ROUUACIJSA-N 2 0 330.476 2.129 20 30 EEEDRP CC1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001392314260 1389971558 /nfs/dbraw/zinc/97/15/58/1389971558.db2.gz PUTGANDNZGFKLC-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752834160 1406461545 /nfs/dbraw/zinc/46/15/45/1406461545.db2.gz ORADHAWEKJVHJB-ZWKOTPCHSA-N 2 0 333.520 2.443 20 30 EEEDRP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001753555020 1406758527 /nfs/dbraw/zinc/75/85/27/1406758527.db2.gz MWPSDHXHIQATGJ-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001425876754 1401786741 /nfs/dbraw/zinc/78/67/41/1401786741.db2.gz FHZRANIWBZFCRP-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[C@@H]([NH2+]CC(=C)C)C(C)C)CC1 ZINC001755342911 1407341698 /nfs/dbraw/zinc/34/16/98/1407341698.db2.gz MXSKYJWMGGAZNW-LJQANCHMSA-N 2 0 333.520 2.370 20 30 EEEDRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001576729765 1403600924 /nfs/dbraw/zinc/60/09/24/1403600924.db2.gz YDUKVBBLPCOKMX-JSGCOSHPSA-N 2 0 334.851 2.457 20 30 EEEDRP CC#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755548194 1407622539 /nfs/dbraw/zinc/62/25/39/1407622539.db2.gz WGMCQMUPVJDXNZ-OALUTQOASA-N 2 0 327.472 2.189 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001755685556 1407731550 /nfs/dbraw/zinc/73/15/50/1407731550.db2.gz ZAUVKJNJWXTHAM-HOTGVXAUSA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001755770235 1407831417 /nfs/dbraw/zinc/83/14/17/1407831417.db2.gz QJZDZDCXZFVODB-UONOGXRCSA-N 2 0 335.414 2.129 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001121184340 1410215064 /nfs/dbraw/zinc/21/50/64/1410215064.db2.gz VLDPDYKDLUIGEP-HVEGKCCWSA-N 2 0 325.472 2.259 20 30 EEEDRP C[C@@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560095 1410397409 /nfs/dbraw/zinc/39/74/09/1410397409.db2.gz JBWNIZWPZKKFTA-HKUYNNGSSA-N 2 0 328.460 2.036 20 30 EEEDRP N#Cc1c2c(cnc1N1CC[NH+](C3CCCC3)CC1)C[NH2+]CCC2 ZINC001165029428 721852505 /nfs/dbraw/zinc/85/25/05/721852505.db2.gz LUSQWUZZTAISSA-UHFFFAOYSA-N 2 0 325.460 2.054 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104753132 765199323 /nfs/dbraw/zinc/19/93/23/765199323.db2.gz UTBHMPTYDZXSGB-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560504 770356183 /nfs/dbraw/zinc/35/61/83/770356183.db2.gz ZMXMRCALBBWCLG-GJZGRUSLSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563709 770399105 /nfs/dbraw/zinc/39/91/05/770399105.db2.gz SCZCPMRLNYHYBP-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC000980257497 774201887 /nfs/dbraw/zinc/20/18/87/774201887.db2.gz UQAHMWMFRFIAHS-UHOSZYNNSA-N 2 0 339.483 2.212 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094354 777424775 /nfs/dbraw/zinc/42/47/75/777424775.db2.gz XYCFBVJLGWTSHB-RTBURBONSA-N 2 0 331.504 2.387 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981528539 777592702 /nfs/dbraw/zinc/59/27/02/777592702.db2.gz RUWNMYGAPIPXGG-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031874317 778244571 /nfs/dbraw/zinc/24/45/71/778244571.db2.gz OMMBMMNRRKMFBT-UHFFFAOYSA-N 2 0 329.488 2.419 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813459 778260392 /nfs/dbraw/zinc/26/03/92/778260392.db2.gz KMMBKDUXTDEICC-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]C)CC1 ZINC000261606259 779410123 /nfs/dbraw/zinc/41/01/23/779410123.db2.gz DPFYGZVFGQFWHM-KSZLIROESA-N 2 0 346.519 2.150 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982305169 779648989 /nfs/dbraw/zinc/64/89/89/779648989.db2.gz OUDKNVLVOAVWDJ-BGYRXZFFSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720443 779715007 /nfs/dbraw/zinc/71/50/07/779715007.db2.gz HOAWSGYFVBUZFE-SLFFLAALSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001028333796 780785309 /nfs/dbraw/zinc/78/53/09/780785309.db2.gz RHAMVNYQLYHAQW-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)CCCC1 ZINC001131837182 783338494 /nfs/dbraw/zinc/33/84/94/783338494.db2.gz SZXGTAPALSFRMS-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+](C)C ZINC001135315522 783599065 /nfs/dbraw/zinc/59/90/65/783599065.db2.gz PIGLXTOMCWDGLL-KBPBESRZSA-N 2 0 336.505 2.334 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184912 784021923 /nfs/dbraw/zinc/02/19/23/784021923.db2.gz PWRNQBFGJVYVCS-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193600 784082274 /nfs/dbraw/zinc/08/22/74/784082274.db2.gz IGGHIDZOPQIWFP-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861959 784653076 /nfs/dbraw/zinc/65/30/76/784653076.db2.gz ZQGNBZRHQDPEAR-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979027 784903792 /nfs/dbraw/zinc/90/37/92/784903792.db2.gz AYMYYLWGHCWHPK-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977545 784927852 /nfs/dbraw/zinc/92/78/52/784927852.db2.gz VGSBEQUKPZDCEB-KBPBESRZSA-N 2 0 336.505 2.334 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035719314 785012210 /nfs/dbraw/zinc/01/22/10/785012210.db2.gz SEPOARGFEVMNTB-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036095571 785748967 /nfs/dbraw/zinc/74/89/67/785748967.db2.gz WYVJJLWTSUMCEI-ZFWWWQNUSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC000995968773 785899196 /nfs/dbraw/zinc/89/91/96/785899196.db2.gz QFQJIJXADVRITF-HNNXBMFYSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001036193351 785964670 /nfs/dbraw/zinc/96/46/70/785964670.db2.gz MLPPNPDFZRTRFN-VQIMIIECSA-N 2 0 329.488 2.417 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996508543 786469703 /nfs/dbraw/zinc/46/97/03/786469703.db2.gz VHTDBGONAZPDEG-XLIONFOSSA-N 2 0 329.488 2.476 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CCC1 ZINC000996671349 787092250 /nfs/dbraw/zinc/09/22/50/787092250.db2.gz MOKNXCCIGOMUJS-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC000996718394 787274105 /nfs/dbraw/zinc/27/41/05/787274105.db2.gz OLHMSHQSPLOBSU-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000923288905 789317571 /nfs/dbraw/zinc/31/75/71/789317571.db2.gz MHWZDYVZKNFIBR-RYQLBKOJSA-N 2 0 348.487 2.223 20 30 EEEDRP C=CCCN(C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844703932 789339095 /nfs/dbraw/zinc/33/90/95/789339095.db2.gz ZYYRTSBEZYVPDX-OALUTQOASA-N 2 0 327.472 2.432 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902786 789585970 /nfs/dbraw/zinc/58/59/70/789585970.db2.gz ZASIIOLFHLOVLE-MKXGPGLRSA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001171220529 790107584 /nfs/dbraw/zinc/10/75/84/790107584.db2.gz BHSVXAYEKRCMCD-QGZVFWFLSA-N 2 0 326.488 2.201 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC(=C)C)CC2)CC1 ZINC000997874477 791328367 /nfs/dbraw/zinc/32/83/67/791328367.db2.gz PQVAMKQLDAWBQM-KRWDZBQOSA-N 2 0 331.504 2.124 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593168 791363632 /nfs/dbraw/zinc/36/36/32/791363632.db2.gz OHKUUJCKXLMDDT-GJZGRUSLSA-N 2 0 348.466 2.410 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC001089059385 792021624 /nfs/dbraw/zinc/02/16/24/792021624.db2.gz JYOVYUKMPKVQMJ-APWZRJJASA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738435 792601194 /nfs/dbraw/zinc/60/11/94/792601194.db2.gz XTYFRPNDROMKSV-QFUCXCTJSA-N 2 0 343.515 2.197 20 30 EEEDRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998993503 793663606 /nfs/dbraw/zinc/66/36/06/793663606.db2.gz FLCLISASYYNGTC-CTWPCTMYSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992503247 794431296 /nfs/dbraw/zinc/43/12/96/794431296.db2.gz DSNQVMVMYMLKJC-CTNGQTDRSA-N 2 0 339.483 2.498 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106132647 794495889 /nfs/dbraw/zinc/49/58/89/794495889.db2.gz BHHOFOWQZNXCHP-CEXWTWQISA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093380252 795117950 /nfs/dbraw/zinc/11/79/50/795117950.db2.gz VBYNPAFZIWTBHX-OALUTQOASA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093381094 795121114 /nfs/dbraw/zinc/12/11/14/795121114.db2.gz GOJCLIYYKHQTAC-XLIONFOSSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106211188 795234569 /nfs/dbraw/zinc/23/45/69/795234569.db2.gz UWIMJGIIHAJFGC-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)CCC=C)CC1 ZINC001110147133 795383797 /nfs/dbraw/zinc/38/37/97/795383797.db2.gz MEUZXUMRVLYLSS-LMCOJAPRSA-N 2 0 343.515 2.408 20 30 EEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC2(CCOCC2)C1 ZINC001089959844 795610644 /nfs/dbraw/zinc/61/06/44/795610644.db2.gz RXFGWCBAQKJLBE-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666861 796073411 /nfs/dbraw/zinc/07/34/11/796073411.db2.gz XKOPVOGYPZMCLD-IIDMSEBBSA-N 2 0 325.472 2.069 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC=C(C)C)C2)CC1 ZINC001036902851 796441332 /nfs/dbraw/zinc/44/13/32/796441332.db2.gz QVVCCLUKIFZIDQ-PMACEKPBSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124562 796642491 /nfs/dbraw/zinc/64/24/91/796642491.db2.gz LSPHIYILBDEHQO-XUVXKRRUSA-N 2 0 339.483 2.078 20 30 EEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618871 796662175 /nfs/dbraw/zinc/66/21/75/796662175.db2.gz NDRBIGKQAARKIP-QGZVFWFLSA-N 2 0 330.476 2.196 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993826448 797057222 /nfs/dbraw/zinc/05/72/22/797057222.db2.gz QCQAFYWIWKHAET-ZBFHGGJFSA-N 2 0 332.448 2.039 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001681001 797107531 /nfs/dbraw/zinc/10/75/31/797107531.db2.gz NSXUDURHQOLQTH-UHFFFAOYSA-N 2 0 329.488 2.419 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173142908 797256740 /nfs/dbraw/zinc/25/67/40/797256740.db2.gz BSSUZHPLPQRXGB-KRWDZBQOSA-N 2 0 346.544 2.292 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426434 797447696 /nfs/dbraw/zinc/44/76/96/797447696.db2.gz ZAHPXIMVVJANKF-IBGZPJMESA-N 2 0 340.471 2.237 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084850009 798503882 /nfs/dbraw/zinc/50/38/82/798503882.db2.gz FBIQEEJOHMRDPF-RTBURBONSA-N 2 0 327.472 2.471 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176844591 798617749 /nfs/dbraw/zinc/61/77/49/798617749.db2.gz LNLBEEYIVRKREV-HZPDHXFCSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176844590 798617810 /nfs/dbraw/zinc/61/78/10/798617810.db2.gz LNLBEEYIVRKREV-HOTGVXAUSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176845445 798618519 /nfs/dbraw/zinc/61/85/19/798618519.db2.gz TYLYSXQXFVMBFW-IYBDPMFKSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001176972022 798665962 /nfs/dbraw/zinc/66/59/62/798665962.db2.gz LAEHMMBZHQDZLN-UHFFFAOYSA-N 2 0 335.879 2.128 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)s1 ZINC001177333264 798868342 /nfs/dbraw/zinc/86/83/42/798868342.db2.gz WKFMGYJXAMHNSZ-UHFFFAOYSA-N 2 0 348.516 2.482 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415881 798933950 /nfs/dbraw/zinc/93/39/50/798933950.db2.gz MRHXHRHELOETLP-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045370 799230214 /nfs/dbraw/zinc/23/02/14/799230214.db2.gz JTLQGVFAPLXNGD-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001178693023 799587649 /nfs/dbraw/zinc/58/76/49/799587649.db2.gz HSWIPMQBIXMXMG-GOSISDBHSA-N 2 0 337.508 2.082 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179651566 800022466 /nfs/dbraw/zinc/02/24/66/800022466.db2.gz IKYWYEIIFFPPID-BZSNNMDCSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179763581 800096009 /nfs/dbraw/zinc/09/60/09/800096009.db2.gz MCGBRSDTDIOPTO-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCC2)CC1 ZINC001085987333 801841894 /nfs/dbraw/zinc/84/18/94/801841894.db2.gz ZVWKCURIKSJSHC-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184578219 802079791 /nfs/dbraw/zinc/07/97/91/802079791.db2.gz SJHYEZJNLFAANG-DZGCQCFKSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184681955 802149702 /nfs/dbraw/zinc/14/97/02/802149702.db2.gz ACUDFWDNBLEHAL-IRXDYDNUSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621269 802262644 /nfs/dbraw/zinc/26/26/44/802262644.db2.gz ROUSBFQYZWJZCT-ZCNNSNEGSA-N 2 0 345.531 2.158 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185052196 802304429 /nfs/dbraw/zinc/30/44/29/802304429.db2.gz MUANSCJEQWOZFU-JKSUJKDBSA-N 2 0 331.460 2.052 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004529214 802323583 /nfs/dbraw/zinc/32/35/83/802323583.db2.gz RCIJMZOYIONMFK-RTBURBONSA-N 2 0 346.519 2.335 20 30 EEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169124888 803623378 /nfs/dbraw/zinc/62/33/78/803623378.db2.gz GGRNTAWUHUHADE-FVQHAEBGSA-N 2 0 333.476 2.332 20 30 EEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147048 803637328 /nfs/dbraw/zinc/63/73/28/803637328.db2.gz RWICOINIAUNJIX-BCDXTJNWSA-N 2 0 325.460 2.091 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620208 810648116 /nfs/dbraw/zinc/64/81/16/810648116.db2.gz CTKNANVGFQQURA-RBUKOAKNSA-N 2 0 339.483 2.243 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001439808504 1092771545 /nfs/dbraw/zinc/77/15/45/1092771545.db2.gz RPXOAFQDHVPFIA-UHFFFAOYSA-N 2 0 348.516 2.432 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001496364818 1100957546 /nfs/dbraw/zinc/95/75/46/1100957546.db2.gz URCSTJSFKQAXPB-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001496908155 1101703468 /nfs/dbraw/zinc/70/34/68/1101703468.db2.gz XHNUGSACURVIIH-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001447302314 1102407412 /nfs/dbraw/zinc/40/74/12/1102407412.db2.gz SKPJBCJKSYHXEF-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(C#N)cc2)CC1 ZINC001506965349 1115015614 /nfs/dbraw/zinc/01/56/14/1115015614.db2.gz HYDUEBHOIJDODF-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000268621293 252076014 /nfs/dbraw/zinc/07/60/14/252076014.db2.gz YIXDXPJGSONTRL-FQEVSTJZSA-N 2 0 339.483 2.065 20 30 EEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281663211 266149130 /nfs/dbraw/zinc/14/91/30/266149130.db2.gz LACGYGJWTUSMJU-UHFFFAOYSA-N 2 0 330.476 2.074 20 30 EEEDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388476 278349779 /nfs/dbraw/zinc/34/97/79/278349779.db2.gz MTJYXPFQLRJJFZ-IUODEOHRSA-N 2 0 326.366 2.045 20 30 EEEDRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000328909835 465164841 /nfs/dbraw/zinc/16/48/41/465164841.db2.gz NBSFFDXEUZARLW-QAPCUYQASA-N 2 0 334.464 2.057 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185812073 463883898 /nfs/dbraw/zinc/88/38/98/463883898.db2.gz OAUBIIMXTBFDEA-QAPCUYQASA-N 2 0 328.460 2.150 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCCCC2)cc1OC ZINC000264124036 464285086 /nfs/dbraw/zinc/28/50/86/464285086.db2.gz RSWPMUFPTHEIDZ-UHFFFAOYSA-N 2 0 348.491 2.027 20 30 EEEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2F)CC1 ZINC000267396547 464930117 /nfs/dbraw/zinc/93/01/17/464930117.db2.gz FBZMBJHDSLAUCI-UHFFFAOYSA-N 2 0 335.471 2.170 20 30 EEEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)cc1OC ZINC000268112529 464952339 /nfs/dbraw/zinc/95/23/39/464952339.db2.gz ZNYLRJVKQBZUIM-CQSZACIVSA-N 2 0 334.464 2.408 20 30 EEEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429761 465527560 /nfs/dbraw/zinc/52/75/60/465527560.db2.gz BXARFBQXSRGOLQ-AABGKKOBSA-N 2 0 339.483 2.227 20 30 EEEDRP C[C@H](C[NH+](C)C)Nc1cc(C#N)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c1 ZINC000343785797 465553690 /nfs/dbraw/zinc/55/36/90/465553690.db2.gz GOXMAVYAFTZNRJ-OLZOCXBDSA-N 2 0 348.451 2.190 20 30 EEEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000330174454 465557927 /nfs/dbraw/zinc/55/79/27/465557927.db2.gz IELBJABTJCYXFC-CABCVRRESA-N 2 0 333.480 2.212 20 30 EEEDRP COc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000371425387 465788952 /nfs/dbraw/zinc/78/89/52/465788952.db2.gz SGEQWIDAKQWLLD-IBGZPJMESA-N 2 0 342.487 2.167 20 30 EEEDRP CC(C)C[C@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418449251 467113100 /nfs/dbraw/zinc/11/31/00/467113100.db2.gz SMGFMPLHFXRBHI-GOSISDBHSA-N 2 0 345.491 2.005 20 30 EEEDRP C[NH+]1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433323657 467317477 /nfs/dbraw/zinc/31/74/77/467317477.db2.gz XUYYPOXQTBIITP-UHFFFAOYSA-N 2 0 338.459 2.290 20 30 EEEDRP C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(C)(C)C[NH+](C)C ZINC000582840736 468604303 /nfs/dbraw/zinc/60/43/03/468604303.db2.gz IZDHVIHVSAUNOO-WBVHZDCISA-N 2 0 333.476 2.058 20 30 EEEDRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722501 468635447 /nfs/dbraw/zinc/63/54/47/468635447.db2.gz GLHRFAQADFIDMU-AEFFLSMTSA-N 2 0 333.476 2.254 20 30 EEEDRP CN(c1ccccc1C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC[NH+](C)CC1 ZINC000592522131 468719257 /nfs/dbraw/zinc/71/92/57/468719257.db2.gz IFJCIRUNCKJUOA-HXUWFJFHSA-N 2 0 342.487 2.067 20 30 EEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000602554406 469358942 /nfs/dbraw/zinc/35/89/42/469358942.db2.gz YKNHEMCLEVVUKC-SJORKVTESA-N 2 0 335.492 2.176 20 30 EEEDRP C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426625 469392338 /nfs/dbraw/zinc/39/23/38/469392338.db2.gz CDLUEDHIIRMEGN-YLJYHZDGSA-N 2 0 342.487 2.005 20 30 EEEDRP CCOCCCNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000104180818 528658912 /nfs/dbraw/zinc/65/89/12/528658912.db2.gz VUGOMAWCPLQFGC-UHFFFAOYSA-N 2 0 338.521 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC000970791838 676154046 /nfs/dbraw/zinc/15/40/46/676154046.db2.gz AESHVGANJOQQKJ-GOSISDBHSA-N 2 0 345.512 2.092 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC001021089195 675715223 /nfs/dbraw/zinc/71/52/23/675715223.db2.gz AYUWTDPDROJVOL-HKUYMTLNSA-N 2 0 343.515 2.005 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637005 676292538 /nfs/dbraw/zinc/29/25/38/676292538.db2.gz VVIPSELAWKLMHS-VQIMIIECSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740985 676399845 /nfs/dbraw/zinc/39/98/45/676399845.db2.gz XVFPGAZSTOOCHI-UXHICEINSA-N 2 0 339.483 2.308 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023421679 679301112 /nfs/dbraw/zinc/30/11/12/679301112.db2.gz GYRCOWTVVZSSLX-MOPGFXCFSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696400 679486877 /nfs/dbraw/zinc/48/68/77/679486877.db2.gz MFUQEFKOWFGRAN-OALUTQOASA-N 2 0 333.520 2.493 20 30 EEEDRP CCC[C@]1(C)CCCN(C(NC[C@H]2C[N@H+](C)CCN2C)=[NH+]CC)C1 ZINC000261795890 681396617 /nfs/dbraw/zinc/39/66/17/681396617.db2.gz GNGRDLTUETZPON-PKOBYXMFSA-N 2 0 337.556 2.100 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001024811864 681463740 /nfs/dbraw/zinc/46/37/40/681463740.db2.gz CFYWSLCHWSSLFO-SJLPKXTDSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642585 681951096 /nfs/dbraw/zinc/95/10/96/681951096.db2.gz RRIHLZPJMNUALH-JYAXBFRTSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245057 682324179 /nfs/dbraw/zinc/32/41/79/682324179.db2.gz ZJIGHCILSVGNON-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647026 693746842 /nfs/dbraw/zinc/74/68/42/693746842.db2.gz KPTZARIDCLZDMG-ICSRJNTNSA-N 2 0 327.472 2.019 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001026377180 684490652 /nfs/dbraw/zinc/49/06/52/684490652.db2.gz MLCRPKMNWAHKHZ-IPMKNSEASA-N 2 0 327.472 2.374 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001026399300 684566896 /nfs/dbraw/zinc/56/68/96/684566896.db2.gz SOWSCGSYVDRNCW-GBESFXJTSA-N 2 0 331.504 2.121 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)CC1 ZINC001026609405 684787212 /nfs/dbraw/zinc/78/72/12/684787212.db2.gz GZAMBQYSFWEJBF-UHFFFAOYSA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000985469491 686957656 /nfs/dbraw/zinc/95/76/56/686957656.db2.gz FFYCSROIXGPXEY-IBGZPJMESA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1Cl ZINC000305062764 687038785 /nfs/dbraw/zinc/03/87/85/687038785.db2.gz KGKACEIZHKKGQL-BBRMVZONSA-N 2 0 338.883 2.416 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC000985602602 687298553 /nfs/dbraw/zinc/29/85/53/687298553.db2.gz GDXITZBZSIOSDO-MRXNPFEDSA-N 2 0 330.476 2.253 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027461713 692202724 /nfs/dbraw/zinc/20/27/24/692202724.db2.gz NWHHXCLKWZSBRC-RBUKOAKNSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C[C@@H]2C)CC1 ZINC000989829240 692372682 /nfs/dbraw/zinc/37/26/82/692372682.db2.gz PQVRYRMPPAJYIW-LPHOPBHVSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646018 692874883 /nfs/dbraw/zinc/87/48/83/692874883.db2.gz VPCBECBPTDRVOK-SFHVURJKSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001089885599 1192684973 /nfs/dbraw/zinc/68/49/73/1192684973.db2.gz IAKGZLMEPBJYEU-MUGJNUQGSA-N 2 0 345.531 2.462 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001088385934 1186765083 /nfs/dbraw/zinc/76/50/83/1186765083.db2.gz XUVSSSKLJZSGSP-GVDBMIGSSA-N 2 0 330.476 2.461 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693569 1187660753 /nfs/dbraw/zinc/66/07/53/1187660753.db2.gz LDIFICZKAXLTDO-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC001105479059 1188084624 /nfs/dbraw/zinc/08/46/24/1188084624.db2.gz LZHUMOVIGSSWQY-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)CCC1 ZINC001105574844 1188189034 /nfs/dbraw/zinc/18/90/34/1188189034.db2.gz JUEHDOYZNGSKGH-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105571836 1188192714 /nfs/dbraw/zinc/19/27/14/1188192714.db2.gz ABZTWELFHOLMJG-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005477440 1195525409 /nfs/dbraw/zinc/52/54/09/1195525409.db2.gz WQZGXEQCNBFJLY-UHFFFAOYSA-N 2 0 333.501 2.369 20 30 EEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005495419 1195614998 /nfs/dbraw/zinc/61/49/98/1195614998.db2.gz BNJBYKOHQLZHIV-LJQANCHMSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248902 1195982570 /nfs/dbraw/zinc/98/25/70/1195982570.db2.gz HEWVHHVJRSHNAM-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001034537806 1196359181 /nfs/dbraw/zinc/35/91/81/1196359181.db2.gz DLKDACXMBXTANU-MSOLQXFVSA-N 2 0 337.483 2.050 20 30 EEEDRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001410393535 1197794768 /nfs/dbraw/zinc/79/47/68/1197794768.db2.gz VGVFVRJVZLBFAK-CYBMUJFWSA-N 2 0 334.489 2.041 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584805 1199674217 /nfs/dbraw/zinc/67/42/17/1199674217.db2.gz XITHXFPSSBSRPD-STQMWFEESA-N 2 0 346.313 2.252 20 30 EEEDRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)(c2ccccc2)CC1 ZINC000877224079 1199883759 /nfs/dbraw/zinc/88/37/59/1199883759.db2.gz DAYNCRFMZVBFNK-GOSISDBHSA-N 2 0 342.487 2.177 20 30 EEEDRP C#CCCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747641 1200072303 /nfs/dbraw/zinc/07/23/03/1200072303.db2.gz VTNZRLSVOBRSQN-UHFFFAOYSA-N 2 0 341.499 2.301 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342886 1200767970 /nfs/dbraw/zinc/76/79/70/1200767970.db2.gz UAKVNUVIVMWIHW-IEBWSBKVSA-N 2 0 341.499 2.459 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)c1 ZINC000925701855 1206144855 /nfs/dbraw/zinc/14/48/55/1206144855.db2.gz HDCKWXFAKHTYLU-SQEGATDGSA-N 2 0 336.483 2.109 20 30 EEEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000190537888 1209907028 /nfs/dbraw/zinc/90/70/28/1209907028.db2.gz RTOBWJWXLNUXOU-HKUYNNGSSA-N 2 0 344.503 2.324 20 30 EEEDRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303877536 1213917637 /nfs/dbraw/zinc/91/76/37/1213917637.db2.gz FLPLPBCYRPEXOE-UHFFFAOYSA-N 2 0 343.519 2.029 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603433 1215248295 /nfs/dbraw/zinc/24/82/95/1215248295.db2.gz SDPCVGYLYOKEMR-QZTJIDSGSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304754751 1216102548 /nfs/dbraw/zinc/10/25/48/1216102548.db2.gz MDBVQMXMKDBDJP-MRXNPFEDSA-N 2 0 330.476 2.367 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]Cc3ccccc3)C2)CC1 ZINC000962809777 1216107910 /nfs/dbraw/zinc/10/79/10/1216107910.db2.gz ULHZETYLNPBDQU-UHFFFAOYSA-N 2 0 339.483 2.016 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199644 1217085159 /nfs/dbraw/zinc/08/51/59/1217085159.db2.gz LARFNRJVJBQIJD-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961227298 1217098220 /nfs/dbraw/zinc/09/82/20/1217098220.db2.gz DZGMCQGWBDGYKN-IRXDYDNUSA-N 2 0 343.471 2.149 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401691 1217176080 /nfs/dbraw/zinc/17/60/80/1217176080.db2.gz NNLYVJRZCMLIOZ-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432263 1217187853 /nfs/dbraw/zinc/18/78/53/1217187853.db2.gz QPSWDTVIWCZVJQ-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346154 1217540248 /nfs/dbraw/zinc/54/02/48/1217540248.db2.gz KFZNHWJRPQJADM-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358172 1217552794 /nfs/dbraw/zinc/55/27/94/1217552794.db2.gz OUQZDDPLYXEOAB-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCCC)CC3)CC1 ZINC001016987164 1227016217 /nfs/dbraw/zinc/01/62/17/1227016217.db2.gz WSESQILHAAJBBT-GOSISDBHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017944442 1227902632 /nfs/dbraw/zinc/90/26/32/1227902632.db2.gz LGEGBVWACYHGMB-JTDSTZFVSA-N 2 0 337.483 2.450 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019820490 1229363218 /nfs/dbraw/zinc/36/32/18/1229363218.db2.gz MCABXSXXWYNJTP-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224913 1230456458 /nfs/dbraw/zinc/45/64/58/1230456458.db2.gz KSMMDXBAURBPJL-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2ccnc2C1 ZINC001039396474 1230579698 /nfs/dbraw/zinc/57/96/98/1230579698.db2.gz SHWNLHDAMYNQJZ-BBWFWOEESA-N 2 0 328.460 2.087 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207380 1231103336 /nfs/dbraw/zinc/10/33/36/1231103336.db2.gz FPVOCXXFDBERSP-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040272908 1231144065 /nfs/dbraw/zinc/14/40/65/1231144065.db2.gz ACIUHBUVTBJLLV-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC=C)C3)CC1 ZINC001040541575 1231283408 /nfs/dbraw/zinc/28/34/08/1231283408.db2.gz BRWCAOIJDJCEAW-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699989 1231340337 /nfs/dbraw/zinc/34/03/37/1231340337.db2.gz FYVUAVHVFOQPDM-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040745286 1231355884 /nfs/dbraw/zinc/35/58/84/1231355884.db2.gz KWXKIXWJTXPQIN-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001040829701 1231381809 /nfs/dbraw/zinc/38/18/09/1231381809.db2.gz FGWHJBWQDQQMJL-UHFFFAOYSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875351 1231392966 /nfs/dbraw/zinc/39/29/66/1231392966.db2.gz ZNFVGHZZQDXSSS-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285151 1231494469 /nfs/dbraw/zinc/49/44/69/1231494469.db2.gz AZMBABZWFLDSPJ-UYAOXDASSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001041356630 1231518215 /nfs/dbraw/zinc/51/82/15/1231518215.db2.gz AEGRTLYGWWOWBG-LPHOPBHVSA-N 2 0 328.460 2.261 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778996 1231690357 /nfs/dbraw/zinc/69/03/57/1231690357.db2.gz JRPIARZTNIQNQS-LEWJYISDSA-N 2 0 339.483 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)CC1 ZINC001041845393 1231728780 /nfs/dbraw/zinc/72/87/80/1231728780.db2.gz XULRWQMJDYYTOV-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042123436 1231903988 /nfs/dbraw/zinc/90/39/88/1231903988.db2.gz SEOICNJRJCAKOW-APWZRJJASA-N 2 0 336.439 2.202 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054830615 1249175661 /nfs/dbraw/zinc/17/56/61/1249175661.db2.gz OTXLUHZNRNPSBP-BZNIZROVSA-N 2 0 332.835 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045957830 1234230477 /nfs/dbraw/zinc/23/04/77/1234230477.db2.gz GKOZYODKMDYZNL-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046951374 1235346857 /nfs/dbraw/zinc/34/68/57/1235346857.db2.gz BLOAKWMZQLOHIQ-HUUCEWRRSA-N 2 0 329.435 2.120 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001047238295 1235721304 /nfs/dbraw/zinc/72/13/04/1235721304.db2.gz DTGCLOOVJFTUNY-UXHICEINSA-N 2 0 345.531 2.465 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308990 1237291326 /nfs/dbraw/zinc/29/13/26/1237291326.db2.gz GTBROLSOHXFAQY-QYZOEREBSA-N 2 0 331.504 2.406 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048524829 1237858886 /nfs/dbraw/zinc/85/88/86/1237858886.db2.gz BQAKQTCZFGFNRT-FKSLSLAPSA-N 2 0 331.504 2.406 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583166 1238022711 /nfs/dbraw/zinc/02/27/11/1238022711.db2.gz DWACDOHKJYDAAW-SWBPCFCJSA-N 2 0 345.531 2.489 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583658 1238024404 /nfs/dbraw/zinc/02/44/04/1238024404.db2.gz QDLWFSPQBPASBJ-FKSLSLAPSA-N 2 0 331.504 2.099 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584200 1238025304 /nfs/dbraw/zinc/02/53/04/1238025304.db2.gz WTEPGUSFIUXKEM-MUJYYYPQSA-N 2 0 328.460 2.306 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188642 1240042913 /nfs/dbraw/zinc/04/29/13/1240042913.db2.gz BRYGJKZNYXCBAX-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000262210 1240109696 /nfs/dbraw/zinc/10/96/96/1240109696.db2.gz SJUNMJWOORNKQT-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001000687129 1240735516 /nfs/dbraw/zinc/73/55/16/1240735516.db2.gz WETJGSXMWBEJOZ-SFHVURJKSA-N 2 0 329.488 2.023 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768677 1242136887 /nfs/dbraw/zinc/13/68/87/1242136887.db2.gz YMOZZFCMVYTGNK-GUDVDZBRSA-N 2 0 331.504 2.338 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837261 1242367977 /nfs/dbraw/zinc/36/79/77/1242367977.db2.gz ANXWYKWKHBCUSW-RBUKOAKNSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(=C)C)CC1 ZINC001096607893 1242790504 /nfs/dbraw/zinc/79/05/04/1242790504.db2.gz MFQJGSIIXIUUGE-QYZOEREBSA-N 2 0 329.488 2.019 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050158223 1243006146 /nfs/dbraw/zinc/00/61/46/1243006146.db2.gz QGZIZEBAHYIGTG-GBESFXJTSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCC)C[C@H]32)CC1 ZINC001050208993 1243125654 /nfs/dbraw/zinc/12/56/54/1243125654.db2.gz XMVZMOJODFXJAW-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050689205 1244133767 /nfs/dbraw/zinc/13/37/67/1244133767.db2.gz IPTSCZJKBSXJCJ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764255 1244315584 /nfs/dbraw/zinc/31/55/84/1244315584.db2.gz BCKRIVAGFPFVLN-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709495 1244803719 /nfs/dbraw/zinc/80/37/19/1244803719.db2.gz NUUDFCCKLWIHLJ-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051335 1245773442 /nfs/dbraw/zinc/77/34/42/1245773442.db2.gz NWRAZBOGLTUEES-RBUKOAKNSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095759 1245893257 /nfs/dbraw/zinc/89/32/57/1245893257.db2.gz KXQBFMHFSDOGLQ-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101574878 1245979110 /nfs/dbraw/zinc/97/91/10/1245979110.db2.gz HZUDLEVCUDDQNW-AEFFLSMTSA-N 2 0 333.520 2.062 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248881 1246757735 /nfs/dbraw/zinc/75/77/35/1246757735.db2.gz BBSMSFJAZVWWAT-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253436 1246775885 /nfs/dbraw/zinc/77/58/85/1246775885.db2.gz DIJZUQZVFNBZFZ-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054035293 1247187208 /nfs/dbraw/zinc/18/72/08/1247187208.db2.gz JCCNRGZQKNFZCB-RBUKOAKNSA-N 2 0 327.472 2.200 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243783 1247854669 /nfs/dbraw/zinc/85/46/69/1247854669.db2.gz OBTCXYKKFMRHDO-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245000 1247860153 /nfs/dbraw/zinc/86/01/53/1247860153.db2.gz MNBNVPHEBSSGRD-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245197 1247863261 /nfs/dbraw/zinc/86/32/61/1247863261.db2.gz PSOCHMXPMYGUNE-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001072983391 1255547412 /nfs/dbraw/zinc/54/74/12/1255547412.db2.gz UZBJCKMESYJJRQ-LJQANCHMSA-N 2 0 337.483 2.309 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240910 1258030290 /nfs/dbraw/zinc/03/02/90/1258030290.db2.gz VQHAUKKKQYMPGN-IRXDYDNUSA-N 2 0 339.524 2.136 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099583409 1258227019 /nfs/dbraw/zinc/22/70/19/1258227019.db2.gz QVPRUURFGIXETN-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001185659259 1278734434 /nfs/dbraw/zinc/73/44/34/1278734434.db2.gz FWKCHLDCPFTOOH-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCCO1 ZINC001201072333 1287281743 /nfs/dbraw/zinc/28/17/43/1287281743.db2.gz NABDUDZLMYNFFQ-GOSISDBHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112593 1279768222 /nfs/dbraw/zinc/76/82/22/1279768222.db2.gz GULFISROSCAJTJ-YESZJQIVSA-N 2 0 325.472 2.165 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001193099101 1282317138 /nfs/dbraw/zinc/31/71/38/1282317138.db2.gz JHKVEALDYPVNGK-GOSISDBHSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203822807 1283824353 /nfs/dbraw/zinc/82/43/53/1283824353.db2.gz AUTVOPJXQTXPSQ-ZWKOTPCHSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CCN1C(=O)C2(CC[NH+](CCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC001273711303 1283886390 /nfs/dbraw/zinc/88/63/90/1283886390.db2.gz AFSBJBIKLGLVKY-IBGZPJMESA-N 2 0 339.483 2.237 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203887497 1284880608 /nfs/dbraw/zinc/88/06/08/1284880608.db2.gz CRJBQCGHLLKRMS-UHFFFAOYSA-N 2 0 345.487 2.145 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001215001684 1296685974 /nfs/dbraw/zinc/68/59/74/1296685974.db2.gz OIIBVJWNFHJHTB-CRAIPNDOSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218355872 1297639969 /nfs/dbraw/zinc/63/99/69/1297639969.db2.gz SLXXOADGBWKWEJ-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H](C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2)[C@H]1CC[NH2+][C@H](C)C1 ZINC001218552283 1297708680 /nfs/dbraw/zinc/70/86/80/1297708680.db2.gz DIVHGWUMFSAQDH-WOPDTQHZSA-N 2 0 332.473 2.228 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899547 1299472796 /nfs/dbraw/zinc/47/27/96/1299472796.db2.gz VHLWFEJKMLUSRB-IRXDYDNUSA-N 2 0 341.540 2.239 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001102087940 1300275938 /nfs/dbraw/zinc/27/59/38/1300275938.db2.gz CRHWIRSEQPCOQM-CKEIUWERSA-N 2 0 348.516 2.144 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001102377340 1300956601 /nfs/dbraw/zinc/95/66/01/1300956601.db2.gz ZZONHONWEOMPMQ-LZQZEXGQSA-N 2 0 342.487 2.083 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001102496419 1301147407 /nfs/dbraw/zinc/14/74/07/1301147407.db2.gz UNQPTBWAHKIPFD-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601755 1301275419 /nfs/dbraw/zinc/27/54/19/1301275419.db2.gz OSGWPZCOKYJCSX-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001226613851 1301480358 /nfs/dbraw/zinc/48/03/58/1301480358.db2.gz LYBJMGKJQYHCTJ-KZNAEPCWSA-N 2 0 337.508 2.080 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085128 1302189843 /nfs/dbraw/zinc/18/98/43/1302189843.db2.gz GYPDURSMQQMDKU-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001228646339 1302358080 /nfs/dbraw/zinc/35/80/80/1302358080.db2.gz DRZIEJAJPWEXKE-AQNXPRMDSA-N 2 0 341.499 2.395 20 30 EEEDRP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001230091305 1303053200 /nfs/dbraw/zinc/05/32/00/1303053200.db2.gz VEPKWNAARVNMLV-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001232922982 1304293998 /nfs/dbraw/zinc/29/39/98/1304293998.db2.gz YDWIIVCTPJNJGI-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001115101488 1304679839 /nfs/dbraw/zinc/67/98/39/1304679839.db2.gz VXFVPCKLBWGEEQ-BWTSREIZSA-N 2 0 331.504 2.121 20 30 EEEDRP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336948 1305195949 /nfs/dbraw/zinc/19/59/49/1305195949.db2.gz RAZFTOWQRUTQOM-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546401 1305318433 /nfs/dbraw/zinc/31/84/33/1305318433.db2.gz KKINLFMBHNPFMZ-MSOLQXFVSA-N 2 0 349.519 2.225 20 30 EEEDRP Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cnc1N1CC[NH2+]CC1 ZINC001240351719 1309310466 /nfs/dbraw/zinc/31/04/66/1309310466.db2.gz YNLUBJJNGNRKKC-UHFFFAOYSA-N 2 0 333.439 2.025 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401640 1309512672 /nfs/dbraw/zinc/51/26/72/1309512672.db2.gz KQAKQVDEUPZMGN-QZTJIDSGSA-N 2 0 333.520 2.443 20 30 EEEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246217149 1310261527 /nfs/dbraw/zinc/26/15/27/1310261527.db2.gz DRAIETQTZWOUHW-UHFFFAOYSA-N 2 0 338.499 2.416 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410302 1310302915 /nfs/dbraw/zinc/30/29/15/1310302915.db2.gz IESFPMNQVVXOOB-BHJSCHTGSA-N 2 0 340.508 2.233 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000841396997 1315546076 /nfs/dbraw/zinc/54/60/76/1315546076.db2.gz JEXKAJKKVPIDMA-IBGZPJMESA-N 2 0 327.472 2.283 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777400 1316371913 /nfs/dbraw/zinc/37/19/13/1316371913.db2.gz DOODMVLTTQEFFQ-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP O=C(CCCn1ccnc1)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001153344456 1316814799 /nfs/dbraw/zinc/81/47/99/1316814799.db2.gz FDRXNRIHQJDHMO-UHFFFAOYSA-N 2 0 344.846 2.074 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118247 1318419497 /nfs/dbraw/zinc/41/94/97/1318419497.db2.gz AHSLJJNQNVRQJX-MSOLQXFVSA-N 2 0 339.524 2.136 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001158508485 1319276473 /nfs/dbraw/zinc/27/64/73/1319276473.db2.gz ZZRCDUZSLFZZJC-HXUWFJFHSA-N 2 0 341.499 2.350 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360851 1320144441 /nfs/dbraw/zinc/14/44/41/1320144441.db2.gz XMCZQOGALALRGR-IBGZPJMESA-N 2 0 331.504 2.411 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001160787168 1320268364 /nfs/dbraw/zinc/26/83/64/1320268364.db2.gz JOSHZRZOCGFOBW-UHFFFAOYSA-N 2 0 339.483 2.176 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+]1CCCC1 ZINC001163002201 1321010478 /nfs/dbraw/zinc/01/04/78/1321010478.db2.gz ZESWAMJKCVSJOH-UHFFFAOYSA-N 2 0 341.499 2.157 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC001164574195 1321421817 /nfs/dbraw/zinc/42/18/17/1321421817.db2.gz AYLNTTJSFMIZTE-HOCLYGCPSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203554257 1321911174 /nfs/dbraw/zinc/91/11/74/1321911174.db2.gz BHSJUBAVNWTPOO-MSOLQXFVSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205462467 1323147662 /nfs/dbraw/zinc/14/76/62/1323147662.db2.gz ZDCYFEKZDAMLEP-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107313 1324319428 /nfs/dbraw/zinc/31/94/28/1324319428.db2.gz REKPFBDCMZDUFE-KRWDZBQOSA-N 2 0 332.492 2.254 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208929944 1324723032 /nfs/dbraw/zinc/72/30/32/1324723032.db2.gz WCRFCXAMQCWQAQ-UHFFFAOYSA-N 2 0 338.499 2.392 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651362 1325000115 /nfs/dbraw/zinc/00/01/15/1325000115.db2.gz REIWFKIMMUWBNV-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP N#Cc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276687081 1325338673 /nfs/dbraw/zinc/33/86/73/1325338673.db2.gz LXHZWXYHQVZENO-UHFFFAOYSA-N 2 0 336.443 2.164 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC2(CC([NH3+])C2)C1)C(C)C ZINC001336732933 1336587398 /nfs/dbraw/zinc/58/73/98/1336587398.db2.gz IKKCSCANQQBKCR-APUKJBRXSA-N 2 0 334.508 2.254 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001100683896 1338636020 /nfs/dbraw/zinc/63/60/20/1338636020.db2.gz XOPDBNPFHHSQEL-KVZIAJEVSA-N 2 0 345.462 2.002 20 30 EEEDRP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001575311520 1343773199 /nfs/dbraw/zinc/77/31/99/1343773199.db2.gz XIIYZMSNFTYJSG-SFHVURJKSA-N 2 0 345.487 2.189 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132523208 1367754048 /nfs/dbraw/zinc/75/40/48/1367754048.db2.gz YZTAUPCMGJSPGK-QFBILLFUSA-N 2 0 342.487 2.368 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265422 1370995526 /nfs/dbraw/zinc/99/55/26/1370995526.db2.gz IYEOUPINDIPFNT-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP CCNC(NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)=[NH+]CC ZINC000849109689 1373241203 /nfs/dbraw/zinc/24/12/03/1373241203.db2.gz DQWSEBNQCLBZHJ-QZTJIDSGSA-N 2 0 332.492 2.099 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001370172089 1374837052 /nfs/dbraw/zinc/83/70/52/1374837052.db2.gz UZUPYGFEPVQXOF-GOSISDBHSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414841 1379221728 /nfs/dbraw/zinc/22/17/28/1379221728.db2.gz NXRIZOQOSDPPFN-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccccc2C#N)C1 ZINC001380969145 1381471558 /nfs/dbraw/zinc/47/15/58/1381471558.db2.gz YXLFPIXVPXULEJ-KRWDZBQOSA-N 2 0 342.487 2.180 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001752897170 1406526551 /nfs/dbraw/zinc/52/65/51/1406526551.db2.gz UMPAEVZMGXWDBK-OAHLLOKOSA-N 2 0 335.879 2.128 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001755002657 1407022500 /nfs/dbraw/zinc/02/25/00/1407022500.db2.gz WCZNCIRMSYFBJF-PKOBYXMFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001755316514 1407314393 /nfs/dbraw/zinc/31/43/93/1407314393.db2.gz MVQQTCFFVAWKOT-UHOSZYNNSA-N 2 0 329.488 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCC)[C@H]3C2)CC1 ZINC001755712999 1407766932 /nfs/dbraw/zinc/76/69/32/1407766932.db2.gz SPSXNVDKGSQXBI-SLFFLAALSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001772248206 1410110502 /nfs/dbraw/zinc/11/05/02/1410110502.db2.gz UCDRIYZFRJBCHF-DNVCBOLYSA-N 2 0 342.487 2.402 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038699 1410514860 /nfs/dbraw/zinc/51/48/60/1410514860.db2.gz LTCHHBRXWSGISP-MSOLQXFVSA-N 2 0 339.524 2.016 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H](C)F)[C@@H]2CC)CC1 ZINC001087839957 782348226 /nfs/dbraw/zinc/34/82/26/782348226.db2.gz BGQNITWJKBFADV-RYQLBKOJSA-N 2 0 337.483 2.049 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001075454310 760712077 /nfs/dbraw/zinc/71/20/77/760712077.db2.gz QIUANGBLOZJPLA-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610666 760728885 /nfs/dbraw/zinc/72/88/85/760728885.db2.gz VHDWLPHISJBIFS-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001167626991 760771376 /nfs/dbraw/zinc/77/13/76/760771376.db2.gz IPIZSRDXXHLAQY-IBGZPJMESA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088084095 782881875 /nfs/dbraw/zinc/88/18/75/782881875.db2.gz XBKGDAOXLNICNE-WBVHZDCISA-N 2 0 331.460 2.311 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166426 783011698 /nfs/dbraw/zinc/01/16/98/783011698.db2.gz AMKQYTFZBOZAEN-HSALFYBXSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664518 774083312 /nfs/dbraw/zinc/08/33/12/774083312.db2.gz MAQIPIAUSLMRKS-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCCC)C[C@H]3C2)CC1 ZINC000980257925 774203306 /nfs/dbraw/zinc/20/33/06/774203306.db2.gz VRDGBUZVOOBEMU-VAMGGRTRSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779267 783187208 /nfs/dbraw/zinc/18/72/08/783187208.db2.gz LWOUMMNEMCEXNT-GBESFXJTSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734216 774792228 /nfs/dbraw/zinc/79/22/28/774792228.db2.gz MANZKAALQOCRCN-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018577 776193650 /nfs/dbraw/zinc/19/36/50/776193650.db2.gz YNURXLLOUMIOBX-MRXNPFEDSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831989 777327741 /nfs/dbraw/zinc/32/77/41/777327741.db2.gz PWZFSDLNRPTNJF-MANSERQUSA-N 2 0 343.515 2.360 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089846209 777802228 /nfs/dbraw/zinc/80/22/28/777802228.db2.gz KWWHPYYLVUHXMJ-OKYOBFRVSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099549 779091739 /nfs/dbraw/zinc/09/17/39/779091739.db2.gz DBZBYTKAUFADCY-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3ncc[nH]3)C[C@@]2(C)C1 ZINC000982269310 779466209 /nfs/dbraw/zinc/46/62/09/779466209.db2.gz SSUJFJSZWDMOJX-KDURUIRLSA-N 2 0 330.476 2.479 20 30 EEEDRP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087443626 780279468 /nfs/dbraw/zinc/27/94/68/780279468.db2.gz WPRWKTRZFYXVMM-XUVXKRRUSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862489 790914094 /nfs/dbraw/zinc/91/40/94/790914094.db2.gz BKHPZEUHNFGNNQ-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000809734212 783317961 /nfs/dbraw/zinc/31/79/61/783317961.db2.gz BAWUSIJWWQGTMC-KRWDZBQOSA-N 2 0 344.503 2.435 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170841039 784220290 /nfs/dbraw/zinc/22/02/90/784220290.db2.gz FSTVFRWBNPYFSL-QGZVFWFLSA-N 2 0 349.523 2.289 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743696 784351911 /nfs/dbraw/zinc/35/19/11/784351911.db2.gz ODJOSFWTSRNOEO-OLZOCXBDSA-N 2 0 334.302 2.110 20 30 EEEDRP C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571719 784704997 /nfs/dbraw/zinc/70/49/97/784704997.db2.gz HQEXQDYQCGGPIK-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135927603 784809390 /nfs/dbraw/zinc/80/93/90/784809390.db2.gz JBUYDPHWCVJMPK-SJORKVTESA-N 2 0 329.529 2.408 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)CC1(C)C ZINC000996190570 786106053 /nfs/dbraw/zinc/10/60/53/786106053.db2.gz LSPUAVVJEUTYLO-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996313888 786253223 /nfs/dbraw/zinc/25/32/23/786253223.db2.gz GILPJHODIPLNEK-STQMWFEESA-N 2 0 346.313 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036477215 786482854 /nfs/dbraw/zinc/48/28/54/786482854.db2.gz YEYNMSYPFOVZII-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996719943 787279414 /nfs/dbraw/zinc/27/94/14/787279414.db2.gz DTGFPSHHMCVXSW-UHFFFAOYSA-N 2 0 325.884 2.196 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861409 788884163 /nfs/dbraw/zinc/88/41/63/788884163.db2.gz LISOBJOYUCCTIM-IYBDPMFKSA-N 2 0 337.895 2.005 20 30 EEEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221303 790130110 /nfs/dbraw/zinc/13/01/10/790130110.db2.gz KFSKJGZIVWIMPF-INIZCTEOSA-N 2 0 331.460 2.306 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001146340154 791211988 /nfs/dbraw/zinc/21/19/88/791211988.db2.gz OUSKIBHRLLSAKS-JKSUJKDBSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC=C)CC2)CC1 ZINC000998195711 792200370 /nfs/dbraw/zinc/20/03/70/792200370.db2.gz GXBBIGWHSPFMQP-LJQANCHMSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091730951 792543113 /nfs/dbraw/zinc/54/31/13/792543113.db2.gz JXVOCXWIVJRFAC-NSHGMRRFSA-N 2 0 333.520 2.321 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939706 793027044 /nfs/dbraw/zinc/02/70/44/793027044.db2.gz XWIPFFMZRZKXAV-OTWHNJEPSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)[C@H](C)C1 ZINC001092742633 794287938 /nfs/dbraw/zinc/28/79/38/794287938.db2.gz XYSZIBXQTFVXFY-IXDOHACOSA-N 2 0 330.476 2.096 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106347306 795439849 /nfs/dbraw/zinc/43/98/49/795439849.db2.gz WCIOCEZGHBRSDC-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC2(CCOCC2)C1 ZINC001089959842 795610879 /nfs/dbraw/zinc/61/08/79/795610879.db2.gz RXFGWCBAQKJLBE-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168667530 795879561 /nfs/dbraw/zinc/87/95/61/795879561.db2.gz WDTSAXYJPZIVSU-CQSZACIVSA-N 2 0 348.329 2.357 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413805 796200932 /nfs/dbraw/zinc/20/09/32/796200932.db2.gz LDPVMAKOAHCTLR-NLWGTHIKSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(=C)Cl)C2)CC1 ZINC001036902137 796439698 /nfs/dbraw/zinc/43/96/98/796439698.db2.gz FTHUVCZDLFBQHE-ROUUACIJSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001080997575 796547908 /nfs/dbraw/zinc/54/79/08/796547908.db2.gz FQKIIUVEKHOIPV-SJLPKXTDSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667293 796822202 /nfs/dbraw/zinc/82/22/02/796822202.db2.gz BCOGCQQZZGXCFV-CABCVRRESA-N 2 0 337.895 2.384 20 30 EEEDRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991008 797201270 /nfs/dbraw/zinc/20/12/70/797201270.db2.gz TYVSBBZQFGPMLL-WCXIOVBPSA-N 2 0 348.491 2.304 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001106840322 797241464 /nfs/dbraw/zinc/24/14/64/797241464.db2.gz HURCXGPXTJBVQY-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCOC1CCC([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CC1 ZINC001173318973 797377117 /nfs/dbraw/zinc/37/71/17/797377117.db2.gz SCRGSISMCHNDAZ-HFFNAHSWSA-N 2 0 337.508 2.079 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001002157756 797641043 /nfs/dbraw/zinc/64/10/43/797641043.db2.gz LLVMCGAUPOWOAN-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001175324973 798076681 /nfs/dbraw/zinc/07/66/81/798076681.db2.gz FZXBXJGPSFBMHI-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545571 798267782 /nfs/dbraw/zinc/26/77/82/798267782.db2.gz OYTCHEWDOJGMLE-QRVBRYPASA-N 2 0 331.504 2.360 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957651 798577036 /nfs/dbraw/zinc/57/70/36/798577036.db2.gz MQMFWQZGVYXFFN-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c(F)c1 ZINC001176884913 798613111 /nfs/dbraw/zinc/61/31/11/798613111.db2.gz VMHJEWKTGILBJU-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C=C(Cl)CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803289 798624479 /nfs/dbraw/zinc/62/44/79/798624479.db2.gz UPCVVBQYAOVPCF-ZBFHGGJFSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586124 806698300 /nfs/dbraw/zinc/69/83/00/806698300.db2.gz IXCVOGMYCZCBBZ-RDJZCZTQSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001085332356 800372099 /nfs/dbraw/zinc/37/20/99/800372099.db2.gz UKHYZOBXLHSCAB-IIDMSEBBSA-N 2 0 325.472 2.402 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183516953 801622666 /nfs/dbraw/zinc/62/26/66/801622666.db2.gz HKJREPBPYMJDSG-QWFCFKBJSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184891168 802230214 /nfs/dbraw/zinc/23/02/14/802230214.db2.gz BNQQOOMDUMCHFG-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004523618 802289205 /nfs/dbraw/zinc/28/92/05/802289205.db2.gz SMBQXNPWQDGCJP-YTQUADARSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001004524869 802293117 /nfs/dbraw/zinc/29/31/17/802293117.db2.gz XPADBHWBSJLEDO-YSIASYRMSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004525373 802295542 /nfs/dbraw/zinc/29/55/42/802295542.db2.gz GDVDKCWMSZRMLI-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141048 802316819 /nfs/dbraw/zinc/31/68/19/802316819.db2.gz JYRMTEUNDIRLNL-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004543365 802338539 /nfs/dbraw/zinc/33/85/39/802338539.db2.gz OVXGJUJMGBKAHO-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001108796990 804519819 /nfs/dbraw/zinc/51/98/19/804519819.db2.gz YBRZFKTZHRAFKY-IHPCNDPISA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086624115 810935924 /nfs/dbraw/zinc/93/59/24/810935924.db2.gz NWCYSRAQJHMAGQ-GBESFXJTSA-N 2 0 327.472 2.098 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439156178 1091800034 /nfs/dbraw/zinc/80/00/34/1091800034.db2.gz ZFCZHPOUFIKISD-CQSZACIVSA-N 2 0 348.466 2.270 20 30 EEEDRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001443891553 1098419853 /nfs/dbraw/zinc/41/98/53/1098419853.db2.gz ZOPFWZACQJQGSB-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305713 1098862895 /nfs/dbraw/zinc/86/28/95/1098862895.db2.gz GDRYKBJPLMAXDE-VQIMIIECSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602212 781922315 /nfs/dbraw/zinc/92/23/15/781922315.db2.gz FCJYKUDPWBACCB-OTWHNJEPSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133086 218196035 /nfs/dbraw/zinc/19/60/35/218196035.db2.gz BYRHERHRKJPXIY-HXUWFJFHSA-N 2 0 341.499 2.301 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000491676761 533102283 /nfs/dbraw/zinc/10/22/83/533102283.db2.gz PDVFXUBWDDDVJN-LJQANCHMSA-N 2 0 348.535 2.095 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)CC1 ZINC000491474195 533147119 /nfs/dbraw/zinc/14/71/19/533147119.db2.gz KTMOFMGUQFGUGA-LJQANCHMSA-N 2 0 339.483 2.241 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000341297125 465098153 /nfs/dbraw/zinc/09/81/53/465098153.db2.gz LXSNVLYKBMTUCX-BHIYHBOVSA-N 2 0 348.535 2.467 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803807 463866995 /nfs/dbraw/zinc/86/69/95/463866995.db2.gz SAUHLQPFXHCOFG-HOCLYGCPSA-N 2 0 349.910 2.035 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171724257 463913680 /nfs/dbraw/zinc/91/36/80/463913680.db2.gz QWXAMRPWJNJPED-IXDOHACOSA-N 2 0 336.524 2.302 20 30 EEEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000290226190 464111135 /nfs/dbraw/zinc/11/11/35/464111135.db2.gz FMPHWYDIHSJEBB-UHFFFAOYSA-N 2 0 335.451 2.249 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264058987 464277065 /nfs/dbraw/zinc/27/70/65/464277065.db2.gz BZXGAAFYMSGIGB-IYBDPMFKSA-N 2 0 330.476 2.276 20 30 EEEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264088774 464282332 /nfs/dbraw/zinc/28/23/32/464282332.db2.gz KGJXTUBPHVYDMP-GOSISDBHSA-N 2 0 331.508 2.022 20 30 EEEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000264132731 464286332 /nfs/dbraw/zinc/28/63/32/464286332.db2.gz YJUBHAKJAXHVJT-UHFFFAOYSA-N 2 0 337.471 2.043 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000274876702 464758723 /nfs/dbraw/zinc/75/87/23/464758723.db2.gz YQRSTVHDNKPLFO-MJGOQNOKSA-N 2 0 342.487 2.249 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000358777585 465317263 /nfs/dbraw/zinc/31/72/63/465317263.db2.gz AHZCJCVLUIJFRH-IAGOWNOFSA-N 2 0 336.524 2.304 20 30 EEEDRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCn2ccnc2C1 ZINC000330169712 465557368 /nfs/dbraw/zinc/55/73/68/465557368.db2.gz DINQMSLSARQOSC-KRWDZBQOSA-N 2 0 345.491 2.356 20 30 EEEDRP Cc1nccn1CCC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299559436 465801388 /nfs/dbraw/zinc/80/13/88/465801388.db2.gz GOMZPIILIUOQIQ-OAHLLOKOSA-N 2 0 343.456 2.252 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])C(C)C ZINC000417068573 466770073 /nfs/dbraw/zinc/77/00/73/466770073.db2.gz SLAJJLWIDHVPAK-RCCFBDPRSA-N 2 0 336.524 2.454 20 30 EEEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000411445072 466827462 /nfs/dbraw/zinc/82/74/62/466827462.db2.gz GBZRSELRKJOYFC-HNNXBMFYSA-N 2 0 328.460 2.198 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000424156253 466991715 /nfs/dbraw/zinc/99/17/15/466991715.db2.gz OFHLBTYFLVRWHQ-HOCLYGCPSA-N 2 0 334.489 2.097 20 30 EEEDRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424156733 466992155 /nfs/dbraw/zinc/99/21/55/466992155.db2.gz ORWDHFYAXAANHL-LJQANCHMSA-N 2 0 342.487 2.378 20 30 EEEDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)C[NH+]1CCCCC1 ZINC000600717532 468631998 /nfs/dbraw/zinc/63/19/98/468631998.db2.gz BNZOHLNCDKSBIO-WMZOPIPTSA-N 2 0 331.460 2.010 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000592260332 468666822 /nfs/dbraw/zinc/66/68/22/468666822.db2.gz XDIIYUIKTHCWFZ-MSOLQXFVSA-N 2 0 328.460 2.351 20 30 EEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000592470853 468705544 /nfs/dbraw/zinc/70/55/44/468705544.db2.gz MXXDTZRMUAFJQY-FAJBIJEISA-N 2 0 338.455 2.031 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000598721120 468973706 /nfs/dbraw/zinc/97/37/06/468973706.db2.gz SLHPQFCULYMEST-RBUKOAKNSA-N 2 0 329.488 2.441 20 30 EEEDRP N#CCCCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000588334917 469140096 /nfs/dbraw/zinc/14/00/96/469140096.db2.gz PWQKCYHEZZSUTO-UHFFFAOYSA-N 2 0 343.475 2.184 20 30 EEEDRP Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000596097141 469153535 /nfs/dbraw/zinc/15/35/35/469153535.db2.gz FEIRXGMTISPAHP-HUUCEWRRSA-N 2 0 346.523 2.766 20 30 EEEDRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000618752544 469438283 /nfs/dbraw/zinc/43/82/83/469438283.db2.gz DSGMWHYIJIWLOG-FQEVSTJZSA-N 2 0 326.488 2.467 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000171714684 526443158 /nfs/dbraw/zinc/44/31/58/526443158.db2.gz AXJMDSGYODDPNF-IBGZPJMESA-N 2 0 327.472 2.418 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000732229486 577158644 /nfs/dbraw/zinc/15/86/44/577158644.db2.gz AVWQFVHGEAKTLB-AEFFLSMTSA-N 2 0 331.460 2.304 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000751148588 577748575 /nfs/dbraw/zinc/74/85/75/577748575.db2.gz XNGPBVDFQMZIMU-UHFFFAOYSA-N 2 0 328.460 2.357 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039211525 676141021 /nfs/dbraw/zinc/14/10/21/676141021.db2.gz BEYSJGMRGBJTHO-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039135200 675636363 /nfs/dbraw/zinc/63/63/63/675636363.db2.gz YXOGTNAADVQYPV-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC)CC[C@H]32)CC1 ZINC001021740223 676399113 /nfs/dbraw/zinc/39/91/13/676399113.db2.gz RSPFTZCZPCSTRP-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(C)C)CC[C@H]32)CC1 ZINC001021740188 676399359 /nfs/dbraw/zinc/39/93/59/676399359.db2.gz RCMBDWZJSBFDSF-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022071683 676635795 /nfs/dbraw/zinc/63/57/95/676635795.db2.gz YCZDAPLTWNUQGJ-OTWHNJEPSA-N 2 0 340.471 2.168 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001026886318 685261574 /nfs/dbraw/zinc/26/15/74/685261574.db2.gz VGEMQRNESLLIEL-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831790 681352873 /nfs/dbraw/zinc/35/28/73/681352873.db2.gz REEUUUPQINVOGS-BGYRXZFFSA-N 2 0 331.504 2.056 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001024901627 681561563 /nfs/dbraw/zinc/56/15/63/681561563.db2.gz YNQIGGAZMCRPLS-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001024998999 681698017 /nfs/dbraw/zinc/69/80/17/681698017.db2.gz NYEQGRGQHVHDMO-RTBURBONSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288975 682397527 /nfs/dbraw/zinc/39/75/27/682397527.db2.gz NVTPCMDRJMUNLJ-OALUTQOASA-N 2 0 340.471 2.240 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CCF)CC1 ZINC001025302125 682407889 /nfs/dbraw/zinc/40/78/89/682407889.db2.gz RWCPOWPHBLSHMF-OALUTQOASA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001029004305 682650257 /nfs/dbraw/zinc/65/02/57/682650257.db2.gz VIFWCNOLPFOULJ-LJQANCHMSA-N 2 0 343.515 2.270 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000978708407 693824084 /nfs/dbraw/zinc/82/40/84/693824084.db2.gz ITZGDNNYJNQQLJ-OWZKRDHZSA-N 2 0 341.499 2.274 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]12 ZINC001026319207 684253974 /nfs/dbraw/zinc/25/39/74/684253974.db2.gz QCKMUTNNFJCGRB-YZGWKJHDSA-N 2 0 341.499 2.417 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026547963 684731910 /nfs/dbraw/zinc/73/19/10/684731910.db2.gz JQFGYCRGLVEDCX-FAFZWHIHSA-N 2 0 331.504 2.434 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027042467 685734430 /nfs/dbraw/zinc/73/44/30/685734430.db2.gz GCBLLTXSTZTAFB-RTBURBONSA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979083752 694166793 /nfs/dbraw/zinc/16/67/93/694166793.db2.gz ZTBKCSJZVNVTDD-NNZMDNLPSA-N 2 0 347.890 2.408 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986353846 688503845 /nfs/dbraw/zinc/50/38/45/688503845.db2.gz JPKAMCJKXMMZKD-BEFAXECRSA-N 2 0 340.471 2.122 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000264098835 691482250 /nfs/dbraw/zinc/48/22/50/691482250.db2.gz MNJLOHOJWUVWMD-HZPDHXFCSA-N 2 0 349.548 2.274 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC000978411264 693574013 /nfs/dbraw/zinc/57/40/13/693574013.db2.gz KIWQHUHLGWVAMT-WCXIOVBPSA-N 2 0 339.911 2.153 20 30 EEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755184660 1181548327 /nfs/dbraw/zinc/54/83/27/1181548327.db2.gz BINBIAZTPRNCSF-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C[N@H+](CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001481644232 1182041894 /nfs/dbraw/zinc/04/18/94/1182041894.db2.gz CLVXTWKAACTGFW-UHFFFAOYSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001755458417 1185532576 /nfs/dbraw/zinc/53/25/76/1185532576.db2.gz FUKBGZXFLKHGQX-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCC(=C)C)CC2)CC1 ZINC001168307940 1188279107 /nfs/dbraw/zinc/27/91/07/1188279107.db2.gz NKJSDFJGTGERIN-UHFFFAOYSA-N 2 0 331.504 2.174 20 30 EEEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001272887371 1193592502 /nfs/dbraw/zinc/59/25/02/1193592502.db2.gz CQZVHLGXYFLEAB-FQEVSTJZSA-N 2 0 346.519 2.337 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001483950825 1191129307 /nfs/dbraw/zinc/12/93/07/1191129307.db2.gz SKHOBSISGBLPCA-AWEZNQCLSA-N 2 0 334.489 2.042 20 30 EEEDRP C=C(Cl)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033836878 1195353897 /nfs/dbraw/zinc/35/38/97/1195353897.db2.gz FKYPSGJVQSMMCC-HRCADAONSA-N 2 0 327.900 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001034045464 1195696842 /nfs/dbraw/zinc/69/68/42/1195696842.db2.gz JHSOXBXYKLJCKD-IEBWSBKVSA-N 2 0 333.520 2.301 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034139187 1195811461 /nfs/dbraw/zinc/81/14/61/1195811461.db2.gz SJSGOLLJAIWSFR-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+](C)CC1(C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CCCC1 ZINC001273135862 1196360409 /nfs/dbraw/zinc/36/04/09/1196360409.db2.gz JJAAWDPOVQAPFN-FQEVSTJZSA-N 2 0 346.519 2.337 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC001034538576 1196361601 /nfs/dbraw/zinc/36/16/01/1196361601.db2.gz PXUXJEHNLBNEGV-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144479 1197014790 /nfs/dbraw/zinc/01/47/90/1197014790.db2.gz QGNTZQFXHZXTEL-ICSRJNTNSA-N 2 0 346.519 2.337 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584235 1199673431 /nfs/dbraw/zinc/67/34/31/1199673431.db2.gz SBTRFGANHNITRT-JKSUJKDBSA-N 2 0 342.487 2.415 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525748 1199822073 /nfs/dbraw/zinc/82/20/73/1199822073.db2.gz UZRAASFHHGXNGZ-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133249339 1200640699 /nfs/dbraw/zinc/64/06/99/1200640699.db2.gz DBLFXUSNVGTIHI-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCCC=C)C2)CC1 ZINC001133336552 1200760256 /nfs/dbraw/zinc/76/02/56/1200760256.db2.gz CGHJAAXZGHIMOK-AZUAARDMSA-N 2 0 345.531 2.372 20 30 EEEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001133410476 1200878366 /nfs/dbraw/zinc/87/83/66/1200878366.db2.gz IGBCIGRYYYIMGW-UHFFFAOYSA-N 2 0 347.890 2.377 20 30 EEEDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](CC)CC ZINC001133685225 1201198263 /nfs/dbraw/zinc/19/82/63/1201198263.db2.gz QWVDLEMWAWOJCQ-QGZVFWFLSA-N 2 0 334.439 2.024 20 30 EEEDRP C#CCN(C)CCC[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000883131169 1202017976 /nfs/dbraw/zinc/01/79/76/1202017976.db2.gz LASVTSPTGULACZ-UHFFFAOYSA-N 2 0 344.411 2.273 20 30 EEEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931441164 1207381826 /nfs/dbraw/zinc/38/18/26/1207381826.db2.gz OUCSSXUDCIOACC-CABCVRRESA-N 2 0 346.862 2.424 20 30 EEEDRP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC000948039698 1208835472 /nfs/dbraw/zinc/83/54/72/1208835472.db2.gz JWHOXYZXDVDANX-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC[C@H](C)F)CC2)CC1 ZINC001006445589 1209774864 /nfs/dbraw/zinc/77/48/64/1209774864.db2.gz KPJYVJVDTRSVBX-INIZCTEOSA-N 2 0 337.483 2.003 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165286 1211331177 /nfs/dbraw/zinc/33/11/77/1211331177.db2.gz QZLIFWYGZSXVES-KRWDZBQOSA-N 2 0 326.444 2.467 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccc2ccccc21 ZINC000303778323 1213905421 /nfs/dbraw/zinc/90/54/21/1213905421.db2.gz JMFBSLPIEIUONH-KRWDZBQOSA-N 2 0 327.476 2.420 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COCc1ccccc1 ZINC000303876275 1213917612 /nfs/dbraw/zinc/91/76/12/1213917612.db2.gz IBFWFPXRWLEZTC-SJLPKXTDSA-N 2 0 332.492 2.228 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552393 1215203850 /nfs/dbraw/zinc/20/38/50/1215203850.db2.gz NAYFOBSQARTMSW-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957621054 1215264272 /nfs/dbraw/zinc/26/42/72/1215264272.db2.gz VJUVIGSDYMWOMJ-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733726 1225604676 /nfs/dbraw/zinc/60/46/76/1225604676.db2.gz VODBQYHJSQVURX-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000961991572 1217439361 /nfs/dbraw/zinc/43/93/61/1217439361.db2.gz FVCJDUOSCHKXLT-ACBHZAAOSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963357820 1217552615 /nfs/dbraw/zinc/55/26/15/1217552615.db2.gz AGKNTCVXSBPHFO-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390963 1217587643 /nfs/dbraw/zinc/58/76/43/1217587643.db2.gz PLGCKMJFWOXXKF-WMZOPIPTSA-N 2 0 340.471 2.097 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000965347125 1219031314 /nfs/dbraw/zinc/03/13/14/1219031314.db2.gz KGIWZYGXZCISOA-UHFFFAOYSA-N 2 0 339.911 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(C)C)[C@H](CC)C2)CC1 ZINC001037983820 1220881102 /nfs/dbraw/zinc/88/11/02/1220881102.db2.gz OXHOXHBYTLMHBI-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016807160 1226893188 /nfs/dbraw/zinc/89/31/88/1226893188.db2.gz LUWSQELTSDDKQE-HNNXBMFYSA-N 2 0 325.884 2.051 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860994 1226928280 /nfs/dbraw/zinc/92/82/80/1226928280.db2.gz MDZJNILNUDTGFA-MSOLQXFVSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016984379 1227013943 /nfs/dbraw/zinc/01/39/43/1227013943.db2.gz YKUFEXCIIGNAEP-IBGZPJMESA-N 2 0 339.483 2.356 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767154 1227711220 /nfs/dbraw/zinc/71/12/20/1227711220.db2.gz JCVARWBZAYOSHJ-KDURUIRLSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182171 1230409555 /nfs/dbraw/zinc/40/95/55/1230409555.db2.gz KHGPJPLTWBEDLC-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542714 1231284149 /nfs/dbraw/zinc/28/41/49/1231284149.db2.gz CUDZTFTVDOGUMP-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040912548 1231402743 /nfs/dbraw/zinc/40/27/43/1231402743.db2.gz QHGRDQLSMCYHFD-INIZCTEOSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040913178 1231403063 /nfs/dbraw/zinc/40/30/63/1231403063.db2.gz ZFXPGSRMISCESS-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285146 1231494871 /nfs/dbraw/zinc/49/48/71/1231494871.db2.gz AZMBABZWFLDSPJ-ICSRJNTNSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743484 1231671401 /nfs/dbraw/zinc/67/14/01/1231671401.db2.gz LMLUVKLXTRZZRA-HXUWFJFHSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845923 1231728728 /nfs/dbraw/zinc/72/87/28/1231728728.db2.gz RVXLSXJXFGDVOM-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042124440 1231905179 /nfs/dbraw/zinc/90/51/79/1231905179.db2.gz GGRCEWHGOUZEGS-FUHWJXTLSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC4CCC4)[C@H]3C2)CC1 ZINC001042367610 1232049645 /nfs/dbraw/zinc/04/96/45/1232049645.db2.gz ITAJCGSTYKOAPN-QUCCMNQESA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC(=C)C)[C@H]3C2)CC1 ZINC001042369462 1232050823 /nfs/dbraw/zinc/05/08/23/1232050823.db2.gz YJTAEXLPRJJXMK-QUCCMNQESA-N 2 0 343.515 2.221 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942583 1234200916 /nfs/dbraw/zinc/20/09/16/1234200916.db2.gz VGDUAVSIEQUCTL-UYAOXDASSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942844 1234201566 /nfs/dbraw/zinc/20/15/66/1234201566.db2.gz BEIHJXMOMTVGCD-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618247 1235001354 /nfs/dbraw/zinc/00/13/54/1235001354.db2.gz CSTHBXYFISRGNW-FQEVSTJZSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048525657 1237863160 /nfs/dbraw/zinc/86/31/60/1237863160.db2.gz DBOIUFBSQUEDCI-FCGDIQPGSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583661 1238024715 /nfs/dbraw/zinc/02/47/15/1238024715.db2.gz QDLWFSPQBPASBJ-ZSXDVEMLSA-N 2 0 331.504 2.099 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001000107023 1239951111 /nfs/dbraw/zinc/95/11/11/1239951111.db2.gz WCEBGVXDCDTEBF-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768679 1242137304 /nfs/dbraw/zinc/13/73/04/1242137304.db2.gz YMOZZFCMVYTGNK-OTWHNJEPSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(C)C)CC1 ZINC001096605496 1242778932 /nfs/dbraw/zinc/77/89/32/1242778932.db2.gz RPUGGEFLHDDAEK-QYZOEREBSA-N 2 0 329.488 2.019 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050181983 1243064320 /nfs/dbraw/zinc/06/43/20/1243064320.db2.gz NTLFXZUAAQGVDY-RBUKOAKNSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207427 1243122798 /nfs/dbraw/zinc/12/27/98/1243122798.db2.gz QLILVBCYXGNKHP-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764797 1244317397 /nfs/dbraw/zinc/31/73/97/1244317397.db2.gz HPXOOHDNYNLCML-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854632 1244690729 /nfs/dbraw/zinc/69/07/29/1244690729.db2.gz NBTIUTOANYSDRY-AQNXPRMDSA-N 2 0 339.483 2.149 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857833 1245397153 /nfs/dbraw/zinc/39/71/53/1245397153.db2.gz VIVNQVSBTIRIEQ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190046 1247662927 /nfs/dbraw/zinc/66/29/27/1247662927.db2.gz BPSSLNSXUUUMKK-GOSISDBHSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CC(=C)C)C3)C2)CC1 ZINC001054245309 1247862239 /nfs/dbraw/zinc/86/22/39/1247862239.db2.gz REUWRUIVCWWPFO-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CCC[N@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290903 1248025026 /nfs/dbraw/zinc/02/50/26/1248025026.db2.gz ZXOHMBPQFPYJPV-UHFFFAOYSA-N 2 0 348.450 2.417 20 30 EEEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001073118315 1255700237 /nfs/dbraw/zinc/70/02/37/1255700237.db2.gz OENMMFCBHFPPHM-IBGZPJMESA-N 2 0 327.472 2.184 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098958850 1257878175 /nfs/dbraw/zinc/87/81/75/1257878175.db2.gz CVTNIUMQGJRLPU-BJLQDIEVSA-N 2 0 331.504 2.408 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100890194 1259399152 /nfs/dbraw/zinc/39/91/52/1259399152.db2.gz PYPRILKKKISXAD-UHFFFAOYSA-N 2 0 341.499 2.254 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001188145056 1279776851 /nfs/dbraw/zinc/77/68/51/1279776851.db2.gz CNKLEXVJXYNBCG-GOSISDBHSA-N 2 0 347.890 2.222 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655903 1280997743 /nfs/dbraw/zinc/99/77/43/1280997743.db2.gz QYLMNARSBOUPHJ-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488236 1282531988 /nfs/dbraw/zinc/53/19/88/1282531988.db2.gz NLIIKWGZOMVHQV-KRWDZBQOSA-N 2 0 327.513 2.068 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193622695 1282605469 /nfs/dbraw/zinc/60/54/69/1282605469.db2.gz RFDPWSPTMJESES-LJQANCHMSA-N 2 0 345.462 2.052 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313543 1284933491 /nfs/dbraw/zinc/93/34/91/1284933491.db2.gz SOGFROUNAHSKNB-LJQANCHMSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198740352 1285312329 /nfs/dbraw/zinc/31/23/29/1285312329.db2.gz CVJLDQBGONSXOL-JFIYKMOQSA-N 2 0 345.487 2.358 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565927 1289564231 /nfs/dbraw/zinc/56/42/31/1289564231.db2.gz RXYJSHAXPKZRQN-KURKYZTESA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250849 1295778992 /nfs/dbraw/zinc/77/89/92/1295778992.db2.gz WXWXGKFGWCNQQT-SFHVURJKSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765162 1296162876 /nfs/dbraw/zinc/16/28/76/1296162876.db2.gz WWEJMWPGFITRKA-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072812025 1296170749 /nfs/dbraw/zinc/17/07/49/1296170749.db2.gz PTYJZXIKYGTOOU-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000863552379 1296331881 /nfs/dbraw/zinc/33/18/81/1296331881.db2.gz ZBMWFNFGXGGIRZ-KRWDZBQOSA-N 2 0 331.460 2.150 20 30 EEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073454885 1297079853 /nfs/dbraw/zinc/07/98/53/1297079853.db2.gz UCUMOSFWMWJJKE-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP N#Cc1c(NC(=O)C[C@@H]([NH3+])Cc2cccs2)sc2c1CC[NH2+]C2 ZINC001218551699 1297709393 /nfs/dbraw/zinc/70/93/93/1297709393.db2.gz SXMXFJITYOUXDV-JTQLQIEISA-N 2 0 346.481 2.226 20 30 EEEDRP N#Cc1cc(F)c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(Cl)c1 ZINC001218994642 1297898522 /nfs/dbraw/zinc/89/85/22/1297898522.db2.gz JOKSDKOMMWRDHU-ZDUSSCGKSA-N 2 0 336.798 2.163 20 30 EEEDRP C[C@@]1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC001221186128 1298696406 /nfs/dbraw/zinc/69/64/06/1298696406.db2.gz OBWFEJJQEAXHQR-QWFCFKBJSA-N 2 0 340.471 2.156 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099271485 1298994326 /nfs/dbraw/zinc/99/43/26/1298994326.db2.gz WFSHDXQHXFQTDQ-MCIONIFRSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221941125 1299215493 /nfs/dbraw/zinc/21/54/93/1299215493.db2.gz WOXQEMQEUGXWFM-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001223597559 1300187568 /nfs/dbraw/zinc/18/75/68/1300187568.db2.gz MTGFDLZKWONLHW-QGZVFWFLSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001224910984 1300777137 /nfs/dbraw/zinc/77/71/37/1300777137.db2.gz GYWHVITUSFQMCS-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3F)C[C@H]2CC1 ZINC001277007077 1300782609 /nfs/dbraw/zinc/78/26/09/1300782609.db2.gz KSHXISGTJRZIAD-HDICACEKSA-N 2 0 344.478 2.403 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230431628 1303208424 /nfs/dbraw/zinc/20/84/24/1303208424.db2.gz QVGRUCGWYUDXGX-UHFFFAOYSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846381 1303497535 /nfs/dbraw/zinc/49/75/35/1303497535.db2.gz HNWQWCLGYSELGY-MJGOQNOKSA-N 2 0 344.503 2.164 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846382 1303497706 /nfs/dbraw/zinc/49/77/06/1303497706.db2.gz HNWQWCLGYSELGY-PKOBYXMFSA-N 2 0 344.503 2.164 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@H+]1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846799 1303498625 /nfs/dbraw/zinc/49/86/25/1303498625.db2.gz XQJGSIHRDJJNBJ-SFHVURJKSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CCCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230918022 1303546012 /nfs/dbraw/zinc/54/60/12/1303546012.db2.gz GAEDDWJTNUWPFV-IBGZPJMESA-N 2 0 344.503 2.308 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112142322 1304274859 /nfs/dbraw/zinc/27/48/59/1304274859.db2.gz WXQOXDFUIGCICN-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235336945 1305196102 /nfs/dbraw/zinc/19/61/02/1305196102.db2.gz RAZFTOWQRUTQOM-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+]2CCCCC2)cc1C#N ZINC001278155087 1306126467 /nfs/dbraw/zinc/12/64/67/1306126467.db2.gz ZYPBVAKUDSKQSY-KDURUIRLSA-N 2 0 341.503 2.031 20 30 EEEDRP C=CCCCCCC[C@H](O)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246060955 1310226924 /nfs/dbraw/zinc/22/69/24/1310226924.db2.gz WDDDYWFQIVTCDB-MOPGFXCFSA-N 2 0 325.541 2.490 20 30 EEEDRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[NH2+]C1 ZINC001246104603 1310236341 /nfs/dbraw/zinc/23/63/41/1310236341.db2.gz KMYBETROUXIZIS-KXBFYZLASA-N 2 0 340.471 2.141 20 30 EEEDRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246115338 1310238781 /nfs/dbraw/zinc/23/87/81/1310238781.db2.gz YPEPFYQXYJGHNB-QAPCUYQASA-N 2 0 340.471 2.141 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246361721 1310290236 /nfs/dbraw/zinc/29/02/36/1310290236.db2.gz NIGICRXBUJOBOD-DFNIBXOVSA-N 2 0 338.455 2.035 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866281 1320295938 /nfs/dbraw/zinc/29/59/38/1320295938.db2.gz AIFZMOAFAGVYQM-WOJBJXKFSA-N 2 0 339.483 2.151 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC001152323907 1316657294 /nfs/dbraw/zinc/65/72/94/1316657294.db2.gz HFKPLGZXRKKYOD-UHFFFAOYSA-N 2 0 349.425 2.175 20 30 EEEDRP CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386198 1316664296 /nfs/dbraw/zinc/66/42/96/1316664296.db2.gz DACXGCAHDRZCOM-APWZRJJASA-N 2 0 345.462 2.098 20 30 EEEDRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001152393255 1316667132 /nfs/dbraw/zinc/66/71/32/1316667132.db2.gz JUZPQMKGXHQWDL-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824562 1316893633 /nfs/dbraw/zinc/89/36/33/1316893633.db2.gz UEUPHUKDMXTOIR-DNVCBOLYSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552426 1317634232 /nfs/dbraw/zinc/63/42/32/1317634232.db2.gz JSJCVDSBNIMDAW-RBUKOAKNSA-N 2 0 345.487 2.074 20 30 EEEDRP C=C[C@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001253576957 1317885186 /nfs/dbraw/zinc/88/51/86/1317885186.db2.gz JDIHHBIFTIOZJA-HOTGVXAUSA-N 2 0 336.501 2.350 20 30 EEEDRP CC[NH+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156201322 1317919187 /nfs/dbraw/zinc/91/91/87/1317919187.db2.gz ZLKNQYDEDVWIDG-CQSZACIVSA-N 2 0 336.505 2.288 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001157887033 1318918129 /nfs/dbraw/zinc/91/81/29/1318918129.db2.gz PTMVIUTUVVLCBZ-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)Cc1ccccc1 ZINC001158955144 1319526121 /nfs/dbraw/zinc/52/61/21/1319526121.db2.gz AHIHKVYBEUJMDO-HXUWFJFHSA-N 2 0 341.499 2.455 20 30 EEEDRP N#Cc1cc(Nc2cccc(OCC[NH3+])c2)ccc1N1CC[NH2+]CC1 ZINC001159748668 1319978648 /nfs/dbraw/zinc/97/86/48/1319978648.db2.gz HUQVOQSNKTYUSK-UHFFFAOYSA-N 2 0 337.427 2.049 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159911366 1320018870 /nfs/dbraw/zinc/01/88/70/1320018870.db2.gz XIIYFBUFUVOFAP-HNNXBMFYSA-N 2 0 348.516 2.479 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131249 1320078037 /nfs/dbraw/zinc/07/80/37/1320078037.db2.gz IKEFZZLWYNHLNJ-RTBURBONSA-N 2 0 329.488 2.023 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001160421418 1320159758 /nfs/dbraw/zinc/15/97/58/1320159758.db2.gz QSIZQNHUPIZCOQ-SFHVURJKSA-N 2 0 349.906 2.374 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161649346 1320570083 /nfs/dbraw/zinc/57/00/83/1320570083.db2.gz DCDKPJNLKQYLNO-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001162832091 1320970433 /nfs/dbraw/zinc/97/04/33/1320970433.db2.gz KHSCXHGRMHLMQM-UHFFFAOYSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165293554 1321495114 /nfs/dbraw/zinc/49/51/14/1321495114.db2.gz PWKGTGBHZDMZCM-UHFFFAOYSA-N 2 0 333.501 2.323 20 30 EEEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001265688649 1323322376 /nfs/dbraw/zinc/32/23/76/1323322376.db2.gz YXNMQCHOXUMLLG-WOJBJXKFSA-N 2 0 341.499 2.349 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001208411146 1324480883 /nfs/dbraw/zinc/48/08/83/1324480883.db2.gz NIHDBFWGZBEJRU-RBUKOAKNSA-N 2 0 345.462 2.098 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210132729 1325169947 /nfs/dbraw/zinc/16/99/47/1325169947.db2.gz HYJCGQBGEHUZOS-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001210751119 1325415764 /nfs/dbraw/zinc/41/57/64/1325415764.db2.gz TUZJPVIZFKXWJQ-HXUWFJFHSA-N 2 0 341.499 2.351 20 30 EEEDRP C=CCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001574916143 1343711174 /nfs/dbraw/zinc/71/11/74/1343711174.db2.gz RYZYYOYUENFICD-DLBZAZTESA-N 2 0 346.523 2.242 20 30 EEEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001579454456 1344384242 /nfs/dbraw/zinc/38/42/42/1344384242.db2.gz DFSYKTQMPWHVAV-PBHICJAKSA-N 2 0 326.444 2.064 20 30 EEEDRP CC[C@@H](C(=O)N(CC)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001668557836 1355963196 /nfs/dbraw/zinc/96/31/96/1355963196.db2.gz NAWHPVJQKRUXDN-SFHVURJKSA-N 2 0 349.906 2.470 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099265669 1370995446 /nfs/dbraw/zinc/99/54/46/1370995446.db2.gz WMDHGLMGRUVHEA-MCIONIFRSA-N 2 0 335.414 2.128 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001121340881 1371869679 /nfs/dbraw/zinc/86/96/79/1371869679.db2.gz MWVOHLNPDYIGDX-UHFFFAOYSA-N 2 0 336.439 2.297 20 30 EEEDRP C=C(C)Cn1c(CN2CCCCC2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001357135793 1373209833 /nfs/dbraw/zinc/20/98/33/1373209833.db2.gz VFOWQEGJOGXSPC-UHFFFAOYSA-N 2 0 346.523 2.371 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001366400337 1373883671 /nfs/dbraw/zinc/88/36/71/1373883671.db2.gz IWZDACHXRGILIQ-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001368546347 1374431972 /nfs/dbraw/zinc/43/19/72/1374431972.db2.gz HGFIVFDVDKMKIU-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001375266325 1377560725 /nfs/dbraw/zinc/56/07/25/1377560725.db2.gz DEHJLRVYGMUDMB-MOPGFXCFSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001375764876 1377982246 /nfs/dbraw/zinc/98/22/46/1377982246.db2.gz WSSHJKBFOUADLL-OAHLLOKOSA-N 2 0 345.834 2.214 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001394131364 1390627190 /nfs/dbraw/zinc/62/71/90/1390627190.db2.gz XOIMHEWGIDTULH-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001752921296 1406549207 /nfs/dbraw/zinc/54/92/07/1406549207.db2.gz PJNQJLBIEOWDHS-SJORKVTESA-N 2 0 327.472 2.187 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001401718729 1397527340 /nfs/dbraw/zinc/52/73/40/1397527340.db2.gz FYPQARUCYCHWJU-AWEZNQCLSA-N 2 0 334.489 2.090 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403078214 1398342384 /nfs/dbraw/zinc/34/23/84/1398342384.db2.gz JZHAIBAGTVWENQ-GOSISDBHSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001422571879 1400035425 /nfs/dbraw/zinc/03/54/25/1400035425.db2.gz MNQPPATZLIWKSD-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001755201362 1407209768 /nfs/dbraw/zinc/20/97/68/1407209768.db2.gz QJPRIPDXKVMYAZ-FQEVSTJZSA-N 2 0 341.499 2.303 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271725 1407282297 /nfs/dbraw/zinc/28/22/97/1407282297.db2.gz VWNOKWVYVSTKIR-ZWKOTPCHSA-N 2 0 341.499 2.323 20 30 EEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001755342849 1407341988 /nfs/dbraw/zinc/34/19/88/1407341988.db2.gz LPKSKWKLFZIGLW-IBGZPJMESA-N 2 0 329.488 2.458 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001755619259 1407687427 /nfs/dbraw/zinc/68/74/27/1407687427.db2.gz VATGRCLZDGSTCT-ROUUACIJSA-N 2 0 335.536 2.450 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104578871 761977047 /nfs/dbraw/zinc/97/70/47/761977047.db2.gz FXRFHLDIPZQCDY-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211603470 761060883 /nfs/dbraw/zinc/06/08/83/761060883.db2.gz DGKNBIAFWSMYOH-RSPOEFSDSA-N 2 0 341.499 2.487 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089510719 770025313 /nfs/dbraw/zinc/02/53/13/770025313.db2.gz DPKYMEMHROBIPC-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885976 774001912 /nfs/dbraw/zinc/00/19/12/774001912.db2.gz LVHPGQRBDNTFAL-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106909037 774700286 /nfs/dbraw/zinc/70/02/86/774700286.db2.gz BAMNWZLWCVDGLZ-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734215 774792624 /nfs/dbraw/zinc/79/26/24/774792624.db2.gz MANZKAALQOCRCN-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089819015 776774095 /nfs/dbraw/zinc/77/40/95/776774095.db2.gz DKISGFVIKRKAMX-AITUJVMLSA-N 2 0 331.504 2.216 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049426 776822182 /nfs/dbraw/zinc/82/21/82/776822182.db2.gz SFDSNOQATUIFHW-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2ccnc2)C1 ZINC001089841927 777735512 /nfs/dbraw/zinc/73/55/12/777735512.db2.gz BRRSETOAWPMSJD-XSLAGTTESA-N 2 0 328.460 2.018 20 30 EEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000997671195 790616991 /nfs/dbraw/zinc/61/69/91/790616991.db2.gz BYCZZMZNTMRMOA-HNNXBMFYSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCC2CC2)C3)CC1 ZINC000982162615 779182226 /nfs/dbraw/zinc/18/22/26/779182226.db2.gz WQXASXXDSYBSRH-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296294 779606110 /nfs/dbraw/zinc/60/61/10/779606110.db2.gz OLHNGCSRFXJQNJ-RLLQIKCJSA-N 2 0 333.520 2.463 20 30 EEEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000067120518 780742856 /nfs/dbraw/zinc/74/28/56/780742856.db2.gz RQIIHGBGXMSPDM-GOSISDBHSA-N 2 0 343.519 2.152 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccsc2)CC1 ZINC001028333379 780774111 /nfs/dbraw/zinc/77/41/11/780774111.db2.gz ITEKVYUJTXRQTR-SFHVURJKSA-N 2 0 345.512 2.174 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391905 783687565 /nfs/dbraw/zinc/68/75/65/783687565.db2.gz WBWNZELLUSVSRC-CHWSQXEVSA-N 2 0 346.313 2.110 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135436872 783766747 /nfs/dbraw/zinc/76/67/47/783766747.db2.gz DNSFRSJQBRDKMC-UHFFFAOYSA-N 2 0 334.302 2.113 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186843 784063276 /nfs/dbraw/zinc/06/32/76/784063276.db2.gz LNZDPTQFDNRLPR-HZPDHXFCSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035225864 784110923 /nfs/dbraw/zinc/11/09/23/784110923.db2.gz BKKPFCGONZDOAY-GDBMZVCRSA-N 2 0 339.911 2.251 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035260188 784215653 /nfs/dbraw/zinc/21/56/53/784215653.db2.gz RUPHISFYBLQHPY-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254994 784260134 /nfs/dbraw/zinc/26/01/34/784260134.db2.gz XCQDBRVEYCZNAT-UHFFFAOYSA-N 2 0 325.884 2.149 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857323 784637638 /nfs/dbraw/zinc/63/76/38/784637638.db2.gz GTRXGEZLBDCXDK-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938900 784830651 /nfs/dbraw/zinc/83/06/51/784830651.db2.gz QEFAUHLSNNBOIH-HZPDHXFCSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCOCC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170876365 784961803 /nfs/dbraw/zinc/96/18/03/784961803.db2.gz JOASSQSYLFEUCE-UHFFFAOYSA-N 2 0 327.513 2.187 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001035706311 784988482 /nfs/dbraw/zinc/98/84/82/784988482.db2.gz MNBDMNXUDFKJML-SFHVURJKSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001036082230 785783720 /nfs/dbraw/zinc/78/37/20/785783720.db2.gz GUEBOORVHHTVCI-HOCLYGCPSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495558 787415712 /nfs/dbraw/zinc/41/57/12/787415712.db2.gz QORUNQUPALNLAL-YLJYHZDGSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000923348366 789411268 /nfs/dbraw/zinc/41/12/68/789411268.db2.gz FDSYRCWLFUQICX-ZWKOTPCHSA-N 2 0 348.487 2.224 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146585544 791338020 /nfs/dbraw/zinc/33/80/20/791338020.db2.gz ZVBVURBFIBTVHG-DLBZAZTESA-N 2 0 347.503 2.437 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611524 792559439 /nfs/dbraw/zinc/55/94/39/792559439.db2.gz BYSDDPTWPFMYTJ-GOSISDBHSA-N 2 0 327.472 2.400 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923017 792991519 /nfs/dbraw/zinc/99/15/19/792991519.db2.gz GGQDQPIZOCTJEQ-PKOBYXMFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093136990 794713565 /nfs/dbraw/zinc/71/35/65/794713565.db2.gz HBLZAIWVATXJQF-TZMCWYRMSA-N 2 0 336.867 2.198 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000999876520 795071498 /nfs/dbraw/zinc/07/14/98/795071498.db2.gz MXTTVYFNTIYIMO-UHFFFAOYSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373916 795107237 /nfs/dbraw/zinc/10/72/37/795107237.db2.gz UWPNXRCZZCHLST-QZTJIDSGSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036864084 795563467 /nfs/dbraw/zinc/56/34/67/795563467.db2.gz RELCKVWEFYBIFV-OALUTQOASA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC=C(C)C)C2)CC1 ZINC001036902854 796441857 /nfs/dbraw/zinc/44/18/57/796441857.db2.gz QVVCCLUKIFZIDQ-WOJBJXKFSA-N 2 0 343.515 2.221 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078777719 796975059 /nfs/dbraw/zinc/97/50/59/796975059.db2.gz WPFAURWDXMMNJA-MSOLQXFVSA-N 2 0 331.504 2.311 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001837388 797244004 /nfs/dbraw/zinc/24/40/04/797244004.db2.gz XUENYOWFUQVCIG-UHFFFAOYSA-N 2 0 329.488 2.419 20 30 EEEDRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173427580 797448224 /nfs/dbraw/zinc/44/82/24/797448224.db2.gz FEOKNQHVNWIJLF-UHFFFAOYSA-N 2 0 328.460 2.268 20 30 EEEDRP C[NH+](C)CCC[N@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429418 797453645 /nfs/dbraw/zinc/45/36/45/797453645.db2.gz WQVTUVONWSBPPW-UHFFFAOYSA-N 2 0 328.460 2.046 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943938 797760885 /nfs/dbraw/zinc/76/08/85/797760885.db2.gz SQKMJCYGOCSUMF-FVQBIDKESA-N 2 0 327.900 2.296 20 30 EEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262279 798059224 /nfs/dbraw/zinc/05/92/24/798059224.db2.gz FGRLTOLFAAQOEP-MAUKXSAKSA-N 2 0 325.472 2.097 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492803 798090235 /nfs/dbraw/zinc/09/02/35/798090235.db2.gz BRELNFLENYIEGZ-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565225 798499292 /nfs/dbraw/zinc/49/92/92/798499292.db2.gz URFKTOLRYVLSQB-GJZGRUSLSA-N 2 0 348.516 2.336 20 30 EEEDRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176880397 798611550 /nfs/dbraw/zinc/61/15/50/798611550.db2.gz WLETVRZCSLFHJQ-UHFFFAOYSA-N 2 0 345.462 2.149 20 30 EEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001177320018 798858925 /nfs/dbraw/zinc/85/89/25/798858925.db2.gz YFCSNMHAEAFFTG-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001179592794 799998706 /nfs/dbraw/zinc/99/87/06/799998706.db2.gz OHPHEMPZXCEXIJ-UHFFFAOYSA-N 2 0 343.515 2.450 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001183129151 801469005 /nfs/dbraw/zinc/46/90/05/801469005.db2.gz KRMDDFOBNOWXJZ-WSTZPKSXSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001183563361 801646565 /nfs/dbraw/zinc/64/65/65/801646565.db2.gz SYZMIZQQAPRNIC-UYAOXDASSA-N 2 0 333.520 2.350 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184411606 802024025 /nfs/dbraw/zinc/02/40/25/802024025.db2.gz FLJAJNCTKFVDCB-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184578220 802080292 /nfs/dbraw/zinc/08/02/92/802080292.db2.gz SJHYEZJNLFAANG-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221519 802530435 /nfs/dbraw/zinc/53/04/35/802530435.db2.gz XKQFSLWSTLCDDT-FZKCQIBNSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108420883 803512968 /nfs/dbraw/zinc/51/29/68/803512968.db2.gz AYZZZRAXSYMPIG-IBGZPJMESA-N 2 0 339.524 2.280 20 30 EEEDRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001438309261 1090787960 /nfs/dbraw/zinc/78/79/60/1090787960.db2.gz ARCNMKSHYFMDPI-MRXNPFEDSA-N 2 0 346.450 2.166 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+]1CCCC1 ZINC001445659145 1091446140 /nfs/dbraw/zinc/44/61/40/1091446140.db2.gz TYUMOFYVGMHING-INIZCTEOSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001438880032 1091524203 /nfs/dbraw/zinc/52/42/03/1091524203.db2.gz SWUKATRCJKCWQI-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCCC1 ZINC001439282768 1091941889 /nfs/dbraw/zinc/94/18/89/1091941889.db2.gz NRVCYJCARYWWLO-HNNXBMFYSA-N 2 0 348.516 2.480 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440395481 1093574835 /nfs/dbraw/zinc/57/48/35/1093574835.db2.gz NGSNZBUQLYKLKV-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001444443586 1099081069 /nfs/dbraw/zinc/08/10/69/1099081069.db2.gz OODWWUIRSODCGA-CYBMUJFWSA-N 2 0 346.313 2.113 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480303038 1100022012 /nfs/dbraw/zinc/02/20/12/1100022012.db2.gz BTFIJKIZTNELKF-MRXNPFEDSA-N 2 0 327.900 2.443 20 30 EEEDRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001447319649 1102440888 /nfs/dbraw/zinc/44/08/88/1102440888.db2.gz HTBDQZNGXSTAJC-OALUTQOASA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001494995510 1104637682 /nfs/dbraw/zinc/63/76/82/1104637682.db2.gz VHVDTBKPIIUBNK-ZDUSSCGKSA-N 2 0 334.489 2.088 20 30 EEEDRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC001493314921 1107919311 /nfs/dbraw/zinc/91/93/11/1107919311.db2.gz XMRDHRQEFAFUDY-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000170905727 463737754 /nfs/dbraw/zinc/73/77/54/463737754.db2.gz NSEKWGCEUHLAAF-GOSISDBHSA-N 2 0 329.492 2.175 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1OC ZINC000277506169 463918750 /nfs/dbraw/zinc/91/87/50/463918750.db2.gz MVNMOAOAPJVBDR-INIZCTEOSA-N 2 0 346.475 2.125 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903887 464008428 /nfs/dbraw/zinc/00/84/28/464008428.db2.gz PSDOLVUSVVRCIU-LPHOPBHVSA-N 2 0 346.519 2.295 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(F)F)c1 ZINC000264316343 464294505 /nfs/dbraw/zinc/29/45/05/464294505.db2.gz WIALSLZREVIZMX-AWEZNQCLSA-N 2 0 340.418 2.219 20 30 EEEDRP C=CC[C@H](CC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000281207947 464371098 /nfs/dbraw/zinc/37/10/98/464371098.db2.gz NPPMIRZBFKVMCV-KRWDZBQOSA-N 2 0 345.491 2.248 20 30 EEEDRP CO/N=C/c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000264917044 464504462 /nfs/dbraw/zinc/50/44/62/464504462.db2.gz OVMSBEFZOYBNBZ-CAPFRKAQSA-N 2 0 348.491 2.013 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247978977 464719815 /nfs/dbraw/zinc/71/98/15/464719815.db2.gz LZJWSRZVEXVJOR-SJLPKXTDSA-N 2 0 326.444 2.303 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1OC(F)F ZINC000267717106 464938834 /nfs/dbraw/zinc/93/88/34/464938834.db2.gz UMNRMLYUWVWBFJ-NSHDSACASA-N 2 0 344.381 2.316 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369275207 466723046 /nfs/dbraw/zinc/72/30/46/466723046.db2.gz WMURCJAFNWMJKE-WMZOPIPTSA-N 2 0 342.487 2.236 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000417543395 466880471 /nfs/dbraw/zinc/88/04/71/466880471.db2.gz ULWQAVWFVZSUJA-IRXDYDNUSA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376744326 466928968 /nfs/dbraw/zinc/92/89/68/466928968.db2.gz SAKNAFHGZYTDJL-SJLPKXTDSA-N 2 0 334.508 2.295 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000424156242 466992119 /nfs/dbraw/zinc/99/21/19/466992119.db2.gz OFHLBTYFLVRWHQ-GDBMZVCRSA-N 2 0 334.489 2.097 20 30 EEEDRP C[N@@H+]1CCN(CCC[NH2+]C[C@H](C#N)CCC#N)[C@@H](c2ccccc2)C1 ZINC000591725384 468510609 /nfs/dbraw/zinc/51/06/09/468510609.db2.gz WICOVGJQPYKICC-AZUAARDMSA-N 2 0 339.487 2.398 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000649297079 470535547 /nfs/dbraw/zinc/53/55/47/470535547.db2.gz FTTNTTCRJGOKPQ-HUUCEWRRSA-N 2 0 329.435 2.046 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000106334057 526591160 /nfs/dbraw/zinc/59/11/60/526591160.db2.gz ZZBUZYUZXWRLGC-QGZVFWFLSA-N 2 0 336.524 2.448 20 30 EEEDRP C=CCC[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370496326 527488503 /nfs/dbraw/zinc/48/85/03/527488503.db2.gz NMMOSHNVKJGOII-FQEVSTJZSA-N 2 0 337.552 2.442 20 30 EEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683367 675165977 /nfs/dbraw/zinc/16/59/77/675165977.db2.gz ZGJBHCAWOPPUCV-SJORKVTESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H](C)F)CC1 ZINC001021469835 676118759 /nfs/dbraw/zinc/11/87/59/676118759.db2.gz OMCUQNMPRQKRQH-UXDRXVOSSA-N 2 0 349.494 2.191 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000971736801 676768435 /nfs/dbraw/zinc/76/84/35/676768435.db2.gz SMCUTHZSEVARAK-MOPGFXCFSA-N 2 0 342.487 2.177 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329760 678552297 /nfs/dbraw/zinc/55/22/97/678552297.db2.gz BBBPVYQZYONQLW-QFBILLFUSA-N 2 0 340.471 2.075 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400715 679290736 /nfs/dbraw/zinc/29/07/36/679290736.db2.gz ZDNXLVATQVRJDE-HNNXBMFYSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414697 679298367 /nfs/dbraw/zinc/29/83/67/679298367.db2.gz YSBBDHVRRJGLAP-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972583494 679352784 /nfs/dbraw/zinc/35/27/84/679352784.db2.gz WBTGQQHYEHGAAJ-AZUAARDMSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC3CC(C)C3)C2)CC1 ZINC001024277532 679861592 /nfs/dbraw/zinc/86/15/92/679861592.db2.gz RRWNOUZDAVXALX-XBMUEBEBSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001029003569 682650625 /nfs/dbraw/zinc/65/06/25/682650625.db2.gz NUTIXLXGBXEPGM-KRWDZBQOSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001029004523 682653793 /nfs/dbraw/zinc/65/37/93/682653793.db2.gz YJFBPIAUPMQFHN-INIZCTEOSA-N 2 0 345.512 2.031 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586112 683044440 /nfs/dbraw/zinc/04/44/40/683044440.db2.gz WECKVEHDDLOKNA-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC#Cc2ccccc2)c1 ZINC000892866332 683148960 /nfs/dbraw/zinc/14/89/60/683148960.db2.gz RFSBAHVPUMISFV-UHFFFAOYSA-N 2 0 335.451 2.119 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC000992931872 683662659 /nfs/dbraw/zinc/66/26/59/683662659.db2.gz XDYCNGUAWMTLCQ-DFQSSKMNSA-N 2 0 339.483 2.212 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483129507 1188612486 /nfs/dbraw/zinc/61/24/86/1188612486.db2.gz VQCNQIABNJVUQV-MRXNPFEDSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCN1c2ccccc2[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030174 1194337126 /nfs/dbraw/zinc/33/71/26/1194337126.db2.gz MAJGJTBFXLYCAP-HXUWFJFHSA-N 2 0 325.456 2.162 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304645 1196093709 /nfs/dbraw/zinc/09/37/09/1196093709.db2.gz WKCNVFLLWLHDBN-INIZCTEOSA-N 2 0 339.443 2.428 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001034957850 1196918715 /nfs/dbraw/zinc/91/87/15/1196918715.db2.gz LVRDPPZXNWYPBY-OAHLLOKOSA-N 2 0 346.500 2.185 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000872222803 1198096013 /nfs/dbraw/zinc/09/60/13/1198096013.db2.gz FGIBBRFBEQARAW-LJQANCHMSA-N 2 0 345.487 2.398 20 30 EEEDRP C=CC(N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1)=[NH+]COC ZINC001170718048 1199247794 /nfs/dbraw/zinc/24/77/94/1199247794.db2.gz HYBCKMVALWDRRN-IYARVYRRSA-N 2 0 334.508 2.103 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC001132280551 1199513566 /nfs/dbraw/zinc/51/35/66/1199513566.db2.gz NQXFVLMIMPZYDS-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001134583420 1199672251 /nfs/dbraw/zinc/67/22/51/1199672251.db2.gz KFRNNIGADKFQSI-CVEARBPZSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001134582988 1199672772 /nfs/dbraw/zinc/67/27/72/1199672772.db2.gz CNVKFUORBAYHKH-MSOLQXFVSA-N 2 0 341.499 2.395 20 30 EEEDRP Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NCCN1CCCCC1 ZINC000794895703 1201427431 /nfs/dbraw/zinc/42/74/31/1201427431.db2.gz HPMHMJFZXFRDLM-UHFFFAOYSA-N 2 0 326.448 2.172 20 30 EEEDRP C#CCN(C)CCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000883131798 1202017984 /nfs/dbraw/zinc/01/79/84/1202017984.db2.gz SUDFDVVRJMSBAT-UHFFFAOYSA-N 2 0 341.249 2.208 20 30 EEEDRP N#Cc1ccccc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275968784 1205607986 /nfs/dbraw/zinc/60/79/86/1205607986.db2.gz MSKOTNYZELVODH-UHFFFAOYSA-N 2 0 335.455 2.353 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947567635 1208624082 /nfs/dbraw/zinc/62/40/82/1208624082.db2.gz FYISDELILIAIEG-WMZOPIPTSA-N 2 0 327.472 2.007 20 30 EEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303768940 1213904261 /nfs/dbraw/zinc/90/42/61/1213904261.db2.gz AQOWCDFKRZZMGE-ZWKOTPCHSA-N 2 0 339.572 2.378 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647446 1215294680 /nfs/dbraw/zinc/29/46/80/1215294680.db2.gz ILGKJPRLMYIOKM-HDICACEKSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960479592 1216615566 /nfs/dbraw/zinc/61/55/66/1216615566.db2.gz PKFSYWBZVKSHMH-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000960485242 1216619695 /nfs/dbraw/zinc/61/96/95/1216619695.db2.gz CJCLVQULKMGORE-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CC=C)C3)C2)CC1 ZINC000961292517 1217131999 /nfs/dbraw/zinc/13/19/99/1217131999.db2.gz JPPTZJGLMGNSDA-WOJBJXKFSA-N 2 0 343.515 2.078 20 30 EEEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961439173 1217190700 /nfs/dbraw/zinc/19/07/00/1217190700.db2.gz FTYRAUCKKCASHJ-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000963419140 1217615506 /nfs/dbraw/zinc/61/55/06/1217615506.db2.gz CODLDDPGFSQUDH-TVPLGVNVSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000964423608 1218351499 /nfs/dbraw/zinc/35/14/99/1218351499.db2.gz YKDVHQPZWMCNEH-UHFFFAOYSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425183 1220501617 /nfs/dbraw/zinc/50/16/17/1220501617.db2.gz YHFVYEONOCINAK-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000968997977 1221728449 /nfs/dbraw/zinc/72/84/49/1221728449.db2.gz HQTSLZYAJGHGCK-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001016820166 1226903409 /nfs/dbraw/zinc/90/34/09/1226903409.db2.gz PDKIZSCMVWYAHK-FUHWJXTLSA-N 2 0 342.487 2.301 20 30 EEEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017944441 1227903015 /nfs/dbraw/zinc/90/30/15/1227903015.db2.gz LGEGBVWACYHGMB-FCEWJHQRSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543932 1231285002 /nfs/dbraw/zinc/28/50/02/1231285002.db2.gz RRHTVWZVFSGYCF-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040818004 1231378749 /nfs/dbraw/zinc/37/87/49/1231378749.db2.gz YYYZWSXIROBSNN-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC[C@H](C)F)C3)C2)CC1 ZINC001041844326 1231727519 /nfs/dbraw/zinc/72/75/19/1231727519.db2.gz GVJVAYQYCQJCGA-FXAWDEMLSA-N 2 0 349.494 2.004 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042111243 1231895874 /nfs/dbraw/zinc/89/58/74/1231895874.db2.gz IDVKQHWZQGIFBH-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270775 1231995334 /nfs/dbraw/zinc/99/53/34/1231995334.db2.gz SECOOCYZJPVUSX-PKOBYXMFSA-N 2 0 327.472 2.471 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369344 1232050803 /nfs/dbraw/zinc/05/08/03/1232050803.db2.gz WTSXGJRNHPKZIG-APWZRJJASA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC4CC4)[C@H]3C2)CC1 ZINC001042369413 1232050899 /nfs/dbraw/zinc/05/08/99/1232050899.db2.gz XTSYZVGQBJSGRS-ICSRJNTNSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=C)Cl)C[C@@H]2C)CC1 ZINC001044871473 1233331374 /nfs/dbraw/zinc/33/13/74/1233331374.db2.gz KWWUMKWKWIPLJN-DOTOQJQBSA-N 2 0 337.895 2.053 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001045067817 1233479697 /nfs/dbraw/zinc/47/96/97/1233479697.db2.gz ABOIMJQJKYMKOY-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001045321578 1233667336 /nfs/dbraw/zinc/66/73/36/1233667336.db2.gz WYUAONFYZXIYDK-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001054894021 1249318955 /nfs/dbraw/zinc/31/89/55/1249318955.db2.gz NALUCCNHWCDYNR-BLLLJJGKSA-N 2 0 345.834 2.070 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986072 1234281724 /nfs/dbraw/zinc/28/17/24/1234281724.db2.gz GRHNTRXORILWDG-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCC2)C3)CC1 ZINC001047208554 1235672318 /nfs/dbraw/zinc/67/23/18/1235672318.db2.gz IUMXXORFDCTDHX-SXLOBPIMSA-N 2 0 343.515 2.101 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244018 1235734974 /nfs/dbraw/zinc/73/49/74/1235734974.db2.gz OWSUTQSYGPJZDH-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001048511806 1237810115 /nfs/dbraw/zinc/81/01/15/1237810115.db2.gz IIMQHLOYKVFCAW-QKPAOTATSA-N 2 0 325.884 2.192 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048590713 1238042853 /nfs/dbraw/zinc/04/28/53/1238042853.db2.gz WEYPBATYFODYAM-FCGDIQPGSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001156925 1241741992 /nfs/dbraw/zinc/74/19/92/1241741992.db2.gz OGAMUTSRUMRVPQ-UHFFFAOYSA-N 2 0 327.472 2.339 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787708 1242183932 /nfs/dbraw/zinc/18/39/32/1242183932.db2.gz JSAIQZXZSSLNML-PMACEKPBSA-N 2 0 339.483 2.450 20 30 EEEDRP C=CCC[N@@H+]1CCc2c(CNC(=O)C34CC[NH+](CC3)C4)cccc2C1 ZINC001051305418 1245508445 /nfs/dbraw/zinc/50/84/45/1245508445.db2.gz AZLLZYQGHIFNKD-UHFFFAOYSA-N 2 0 339.483 2.333 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257821 1245582740 /nfs/dbraw/zinc/58/27/40/1245582740.db2.gz OBCLQGLJOWIBGC-AOIWGVFYSA-N 2 0 339.499 2.413 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051333 1245772543 /nfs/dbraw/zinc/77/25/43/1245772543.db2.gz NWRAZBOGLTUEES-MOPGFXCFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095761 1245893442 /nfs/dbraw/zinc/89/34/42/1245893442.db2.gz KXQBFMHFSDOGLQ-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001054198230 1247691045 /nfs/dbraw/zinc/69/10/45/1247691045.db2.gz SOBQVCBLZKHOJZ-WOJBJXKFSA-N 2 0 349.494 2.147 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228716 1247784461 /nfs/dbraw/zinc/78/44/61/1247784461.db2.gz XZBDPTXETULARL-KRWDZBQOSA-N 2 0 337.895 2.149 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244998 1247861232 /nfs/dbraw/zinc/86/12/32/1247861232.db2.gz MNBNVPHEBSSGRD-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185518388 1278685934 /nfs/dbraw/zinc/68/59/34/1278685934.db2.gz YQHJNVLUXDGGPH-JKSUJKDBSA-N 2 0 330.476 2.412 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001134762739 1278011927 /nfs/dbraw/zinc/01/19/27/1278011927.db2.gz DYIIWHWUCVEPEE-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001186825017 1279273025 /nfs/dbraw/zinc/27/30/25/1279273025.db2.gz VKNQGBBOWMQCCD-QGZVFWFLSA-N 2 0 347.890 2.224 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029972 1281182586 /nfs/dbraw/zinc/18/25/86/1281182586.db2.gz PICKTPOIJDQHLE-GOSISDBHSA-N 2 0 330.476 2.407 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192007918 1281759715 /nfs/dbraw/zinc/75/97/15/1281759715.db2.gz SYFVPXCVSPZRNC-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001194118432 1282894195 /nfs/dbraw/zinc/89/41/95/1282894195.db2.gz GAZFWMWRBLDXOS-QZTJIDSGSA-N 2 0 342.443 2.084 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198618249 1285274774 /nfs/dbraw/zinc/27/47/74/1285274774.db2.gz XKMDZCDGHSSWOP-IAGOWNOFSA-N 2 0 331.460 2.112 20 30 EEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000105441027 1286389181 /nfs/dbraw/zinc/38/91/81/1286389181.db2.gz OYSJDJYAQXSBQF-ZWKOTPCHSA-N 2 0 344.503 2.341 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201130449 1289341662 /nfs/dbraw/zinc/34/16/62/1289341662.db2.gz XDJXTBNWORROBA-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974429 1296245670 /nfs/dbraw/zinc/24/56/70/1296245670.db2.gz ZNDPBQRIYJSPTH-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001216954503 1297338650 /nfs/dbraw/zinc/33/86/50/1297338650.db2.gz XHUPXAWMLOJZIO-NVXWUHKLSA-N 2 0 331.460 2.195 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C[C@@H](C)O2 ZINC001098589737 1298640086 /nfs/dbraw/zinc/64/00/86/1298640086.db2.gz LHSQGXXKTXEBDR-QZTJIDSGSA-N 2 0 349.519 2.127 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098842134 1298713457 /nfs/dbraw/zinc/71/34/57/1298713457.db2.gz XSTDYRDECXQOEL-BJLQDIEVSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099527161 1299188902 /nfs/dbraw/zinc/18/89/02/1299188902.db2.gz BXIFDXRIPKJFNS-MANSERQUSA-N 2 0 345.531 2.156 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491155686 1299640867 /nfs/dbraw/zinc/64/08/67/1299640867.db2.gz FFIBYFYXGNGURR-HNNXBMFYSA-N 2 0 325.884 2.196 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225143038 1300912591 /nfs/dbraw/zinc/91/25/91/1300912591.db2.gz RXTCBQUGHKPDIU-LJQANCHMSA-N 2 0 327.472 2.141 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003829 1302053375 /nfs/dbraw/zinc/05/33/75/1302053375.db2.gz ZWPBXUQKRZQFRE-DTZQCDIJSA-N 2 0 327.900 2.153 20 30 EEEDRP C[NH+](C)CC#CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001228042434 1302070675 /nfs/dbraw/zinc/07/06/75/1302070675.db2.gz HINFPBTYKVOASV-IBGZPJMESA-N 2 0 342.487 2.078 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229503574 1302822173 /nfs/dbraw/zinc/82/21/73/1302822173.db2.gz LCMJHDOBHBMBPP-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655177 1302907241 /nfs/dbraw/zinc/90/72/41/1302907241.db2.gz BNYAIBCPGGNMNV-SFHVURJKSA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778104 1303450089 /nfs/dbraw/zinc/45/00/89/1303450089.db2.gz IRNHGEJJUWKEJU-IBGZPJMESA-N 2 0 344.503 2.306 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781166 1303452434 /nfs/dbraw/zinc/45/24/34/1303452434.db2.gz GSBSHICIOUWTSE-SFHVURJKSA-N 2 0 332.492 2.162 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC001230783147 1303454323 /nfs/dbraw/zinc/45/43/23/1303454323.db2.gz AGMNKRUHYGJENN-LJQANCHMSA-N 2 0 344.503 2.450 20 30 EEEDRP C=CC[NH+](CCCNC(=O)CC[N@@H+](C)CCC)Cc1cccnc1 ZINC001230906993 1303539654 /nfs/dbraw/zinc/53/96/54/1303539654.db2.gz YIMOAWYCPNJNAL-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=C(C)C[N@H+](CCCNC(=O)Cn1ccnc1C)Cc1cccnc1 ZINC001230922909 1303548046 /nfs/dbraw/zinc/54/80/46/1303548046.db2.gz ABXYMZIRYQOPBS-UHFFFAOYSA-N 2 0 341.459 2.171 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794721 1303897870 /nfs/dbraw/zinc/89/78/70/1303897870.db2.gz GTHUTHDTMSLWKV-PXNSSMCTSA-N 2 0 342.487 2.455 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CC(C)(C)CO)CC3)cc1C#N ZINC001277967903 1305388311 /nfs/dbraw/zinc/38/83/11/1305388311.db2.gz KXFZNIRBUDQFHK-UHFFFAOYSA-N 2 0 344.503 2.203 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115591874 1305463968 /nfs/dbraw/zinc/46/39/68/1305463968.db2.gz JKCUVXYRMSGYCQ-ZWKOTPCHSA-N 2 0 331.504 2.435 20 30 EEEDRP C=CCCCCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309473 1305558591 /nfs/dbraw/zinc/55/85/91/1305558591.db2.gz LKVATUJUCGOTBU-UHFFFAOYSA-N 2 0 326.529 2.019 20 30 EEEDRP C=CCOc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)cc1 ZINC001237412845 1305925121 /nfs/dbraw/zinc/92/51/21/1305925121.db2.gz VMMCBUJBIKICEL-SFHVURJKSA-N 2 0 344.455 2.226 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401639 1309512090 /nfs/dbraw/zinc/51/20/90/1309512090.db2.gz KQAKQVDEUPZMGN-MSOLQXFVSA-N 2 0 333.520 2.443 20 30 EEEDRP N#Cc1ccc(C2CCC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@@H]3COC4)CC2)cc1 ZINC001246144908 1310246578 /nfs/dbraw/zinc/24/65/78/1310246578.db2.gz BXBQKOJMODPHHM-FJFRGRGDSA-N 2 0 325.456 2.408 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246584884 1310349092 /nfs/dbraw/zinc/34/90/92/1310349092.db2.gz WEKPRTWDJHQSDU-KRWDZBQOSA-N 2 0 340.471 2.224 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293465 1320125205 /nfs/dbraw/zinc/12/52/05/1320125205.db2.gz YBAMYWUGZAWWRH-UHFFFAOYSA-N 2 0 331.485 2.195 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150022472 1316128536 /nfs/dbraw/zinc/12/85/36/1316128536.db2.gz NUFXLGBQFRIIQK-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761351 1316367436 /nfs/dbraw/zinc/36/74/36/1316367436.db2.gz MVRORIJTOUXKRV-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCOC[C@H](O)C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001252470149 1317610865 /nfs/dbraw/zinc/61/08/65/1317610865.db2.gz HREJOHWRXYBCIE-LJQANCHMSA-N 2 0 330.472 2.148 20 30 EEEDRP CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927997 1318293108 /nfs/dbraw/zinc/29/31/08/1318293108.db2.gz RITRNADJPRPVOV-QGZVFWFLSA-N 2 0 345.462 2.100 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)CC1 ZINC001157092032 1318396070 /nfs/dbraw/zinc/39/60/70/1318396070.db2.gz FXPNTLVDMKTNAY-QGZVFWFLSA-N 2 0 339.499 2.298 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001158428338 1319233651 /nfs/dbraw/zinc/23/36/51/1319233651.db2.gz FDEBBPDSYGFQDW-CRAIPNDOSA-N 2 0 347.890 2.128 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001159839080 1320001747 /nfs/dbraw/zinc/00/17/47/1320001747.db2.gz TVYODKAFESJKJL-IBGZPJMESA-N 2 0 342.487 2.132 20 30 EEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160568425 1320201283 /nfs/dbraw/zinc/20/12/83/1320201283.db2.gz UXVWYOKCQBQKLD-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899164 1320667203 /nfs/dbraw/zinc/66/72/03/1320667203.db2.gz LRVLHQKYXIPUIA-UHFFFAOYSA-N 2 0 331.504 2.414 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001162905920 1320985452 /nfs/dbraw/zinc/98/54/52/1320985452.db2.gz BGTUXMFDXZKMOQ-UHFFFAOYSA-N 2 0 329.488 2.175 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1C#N ZINC001163286200 1321088254 /nfs/dbraw/zinc/08/82/54/1321088254.db2.gz ZQAFQLIGXBIENP-ODSULDGTSA-N 2 0 341.459 2.350 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165736163 1321575178 /nfs/dbraw/zinc/57/51/78/1321575178.db2.gz IGJCUCSOLQBFKY-ROUUACIJSA-N 2 0 349.519 2.082 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312053 1321863037 /nfs/dbraw/zinc/86/30/37/1321863037.db2.gz QLKWVXBYEUZBTI-KBPBESRZSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC)C23CCC3)CC1 ZINC001203769900 1321957043 /nfs/dbraw/zinc/95/70/43/1321957043.db2.gz CKVNNFLDGLOHEO-MSOLQXFVSA-N 2 0 331.504 2.149 20 30 EEEDRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001206300410 1323449509 /nfs/dbraw/zinc/44/95/09/1323449509.db2.gz CYEICZZABBGUTD-FQEVSTJZSA-N 2 0 341.499 2.207 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001209669127 1325004542 /nfs/dbraw/zinc/00/45/42/1325004542.db2.gz NIHDBFWGZBEJRU-MOPGFXCFSA-N 2 0 345.462 2.098 20 30 EEEDRP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001580069579 1344463106 /nfs/dbraw/zinc/46/31/06/1344463106.db2.gz DIKULRBJHSWCBH-LSDHHAIUSA-N 2 0 346.862 2.472 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001647559977 1353326024 /nfs/dbraw/zinc/32/60/24/1353326024.db2.gz POLYTWFVCNPVRF-MOPGFXCFSA-N 2 0 343.471 2.010 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122064174 1371942711 /nfs/dbraw/zinc/94/27/11/1371942711.db2.gz VFLKGHXXMDXRGI-RJKRPDFYSA-N 2 0 331.504 2.147 20 30 EEEDRP C=CCc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC001138627863 1372404747 /nfs/dbraw/zinc/40/47/47/1372404747.db2.gz HEVGLLREKAUAEL-UHFFFAOYSA-N 2 0 329.488 2.334 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001370525308 1374974809 /nfs/dbraw/zinc/97/48/09/1374974809.db2.gz ZHBZJZOXPLGNPE-MGPQQGTHSA-N 2 0 346.313 2.252 20 30 EEEDRP CC#CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001752274715 1406255140 /nfs/dbraw/zinc/25/51/40/1406255140.db2.gz NZPPDVRICUUDSE-IBGZPJMESA-N 2 0 337.483 2.193 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001752754710 1406374651 /nfs/dbraw/zinc/37/46/51/1406374651.db2.gz UMXQKENNJCEPKM-CALCHBBNSA-N 2 0 347.890 2.270 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCCC2)C1 ZINC001392021635 1389775014 /nfs/dbraw/zinc/77/50/14/1389775014.db2.gz HBGPMAUPLBYIHZ-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP C[N@H+](CC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001398312563 1392164384 /nfs/dbraw/zinc/16/43/84/1392164384.db2.gz PVCAYQQLQFTUHM-SFHVURJKSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001399392971 1395036049 /nfs/dbraw/zinc/03/60/49/1395036049.db2.gz VVTJDOOWRWNMKA-ZDUSSCGKSA-N 2 0 333.823 2.118 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001425906055 1401796771 /nfs/dbraw/zinc/79/67/71/1401796771.db2.gz FNFSQVSCQGIEFT-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001755361090 1407359877 /nfs/dbraw/zinc/35/98/77/1407359877.db2.gz LYLBPUNFMNLQBI-PMACEKPBSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001734084976 1406029933 /nfs/dbraw/zinc/02/99/33/1406029933.db2.gz VKVDPLCYGFVHLD-GOSISDBHSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755520498 1407577942 /nfs/dbraw/zinc/57/79/42/1407577942.db2.gz JVJZTOKWYAPIHM-IAGOWNOFSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755846236 1407897306 /nfs/dbraw/zinc/89/73/06/1407897306.db2.gz RIOAZNSBDZWXOI-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121232578 1410218058 /nfs/dbraw/zinc/21/80/58/1410218058.db2.gz FZQXIQGDSOAWNE-WZXTXQKWSA-N 2 0 331.504 2.290 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454165 760708682 /nfs/dbraw/zinc/70/86/82/760708682.db2.gz MOJMYJZNMJMXJQ-QWFCFKBJSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994271 782736794 /nfs/dbraw/zinc/73/67/94/782736794.db2.gz ZPIFYBPMHSIRQT-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445847 769293437 /nfs/dbraw/zinc/29/34/37/769293437.db2.gz NBKPDJLZGOONMN-MSOLQXFVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445850 769293550 /nfs/dbraw/zinc/29/35/50/769293550.db2.gz NBKPDJLZGOONMN-ZWKOTPCHSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211661582 769827674 /nfs/dbraw/zinc/82/76/74/769827674.db2.gz DCSVRNUKDBRXCO-RBUKOAKNSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473358 782892732 /nfs/dbraw/zinc/89/27/32/782892732.db2.gz DVPRJDSQCNSVPP-QGZVFWFLSA-N 2 0 330.476 2.263 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088130038 782949706 /nfs/dbraw/zinc/94/97/06/782949706.db2.gz SVZYEFCYSKUYAJ-QRVBRYPASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718970 783049636 /nfs/dbraw/zinc/04/96/36/783049636.db2.gz FAFUXWWZMWPQRW-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089646269 773683065 /nfs/dbraw/zinc/68/30/65/773683065.db2.gz NBSNHLVFJJNPQN-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981807923 778251094 /nfs/dbraw/zinc/25/10/94/778251094.db2.gz DPHWYNZXCBGCOV-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1occc1C[NH+](C)C ZINC001089856658 778342803 /nfs/dbraw/zinc/34/28/03/778342803.db2.gz ULSNNUHKEUBUNM-OWLYRPNTSA-N 2 0 343.471 2.310 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982161361 779201368 /nfs/dbraw/zinc/20/13/68/779201368.db2.gz PVOVLSKCPJEBPN-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001028333171 780772636 /nfs/dbraw/zinc/77/26/36/780772636.db2.gz FGDMVZNIPIKZAH-HXUWFJFHSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001028334000 780785566 /nfs/dbraw/zinc/78/55/66/780785566.db2.gz UVVAOOLQUYKHHX-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001135370824 783659574 /nfs/dbraw/zinc/65/95/74/783659574.db2.gz BDXNBCMGAXEWGG-UONOGXRCSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135472518 783829407 /nfs/dbraw/zinc/82/94/07/783829407.db2.gz ZTUZEPFBOSXWOC-IRXDYDNUSA-N 2 0 329.488 2.301 20 30 EEEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184481 784020135 /nfs/dbraw/zinc/02/01/35/784020135.db2.gz LJISTCFBIZCRNR-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860363 784647977 /nfs/dbraw/zinc/64/79/77/784647977.db2.gz ATFMZLRKFOBWAA-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977316 784927185 /nfs/dbraw/zinc/92/71/85/784927185.db2.gz SBDQVQVHTCLHOO-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836219 785258187 /nfs/dbraw/zinc/25/81/87/785258187.db2.gz JBSRSYWILYIOSY-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001036312644 786187687 /nfs/dbraw/zinc/18/76/87/786187687.db2.gz QKXJKEJXSUMHQL-NVXWUHKLSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442885 787253777 /nfs/dbraw/zinc/25/37/77/787253777.db2.gz PINLZARHBXDKHJ-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546839 787587542 /nfs/dbraw/zinc/58/75/42/787587542.db2.gz QSVUKLHQKOKRHA-YXJHDRRASA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941772 789559205 /nfs/dbraw/zinc/55/92/05/789559205.db2.gz NFGOFVSMWPQAAW-HKUYNNGSSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001091204500 790117181 /nfs/dbraw/zinc/11/71/81/790117181.db2.gz HNUCJPDVMAZJEJ-UHFFFAOYSA-N 2 0 325.840 2.192 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146338487 791182580 /nfs/dbraw/zinc/18/25/80/791182580.db2.gz GTVFEZVFISDBOU-SJORKVTESA-N 2 0 345.462 2.146 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146341450 791213622 /nfs/dbraw/zinc/21/36/22/791213622.db2.gz YMPPTTQBMPBGNZ-CABCVRRESA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997828841 791240276 /nfs/dbraw/zinc/24/02/76/791240276.db2.gz LGOVYARUSDDJNS-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C(F)(F)F ZINC000998309015 792526073 /nfs/dbraw/zinc/52/60/73/792526073.db2.gz BTZUKMMWSFWQGI-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C(F)(F)F ZINC000998318530 792570640 /nfs/dbraw/zinc/57/06/40/792570640.db2.gz ZUZBJRMETRAJGX-CABCVRRESA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942405 793035865 /nfs/dbraw/zinc/03/58/65/793035865.db2.gz PWTXDNVCXUVUSU-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040722657 793566357 /nfs/dbraw/zinc/56/63/57/793566357.db2.gz CARAJHMCBGSVDX-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092604362 794137022 /nfs/dbraw/zinc/13/70/22/794137022.db2.gz HZHXYYHOLHWDFF-FVQBIDKESA-N 2 0 327.900 2.296 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618313 794187440 /nfs/dbraw/zinc/18/74/40/794187440.db2.gz JLWAWNAZYQQCHT-DMRZNYOFSA-N 2 0 327.900 2.153 20 30 EEEDRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CC1 ZINC000999374976 794352612 /nfs/dbraw/zinc/35/26/12/794352612.db2.gz SQMKZSUJHAPJSZ-WMLDXEAASA-N 2 0 346.500 2.041 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC1CC[NH+](C)CC1)CCO2 ZINC001093409531 795150001 /nfs/dbraw/zinc/15/00/01/795150001.db2.gz QDGJLZXDIBKMTE-UHFFFAOYSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2 ZINC001093399529 795177954 /nfs/dbraw/zinc/17/79/54/795177954.db2.gz HIYFQDHWIRZGMR-AGYKMIKPSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836349 795347301 /nfs/dbraw/zinc/34/73/01/795347301.db2.gz PJDVNVGGIFZKDI-IRXDYDNUSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483921 796076715 /nfs/dbraw/zinc/07/67/15/796076715.db2.gz BTUAXRJMLKZFMK-RSPOEFSDSA-N 2 0 341.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C/C=C/Cl)C2)CC1 ZINC001036904550 796447192 /nfs/dbraw/zinc/44/71/92/796447192.db2.gz UAUWWYGGPOHBJX-LGNKUTNCSA-N 2 0 349.906 2.007 20 30 EEEDRP C[N@@H+]1CC[C@@]2(CCN([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992056 797201237 /nfs/dbraw/zinc/20/12/37/797201237.db2.gz PWETXBIVTGMTBJ-TXPKVOOTSA-N 2 0 348.491 2.306 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001002146134 797624591 /nfs/dbraw/zinc/62/45/91/797624591.db2.gz XIOXJROCGXAHHO-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262152 798058557 /nfs/dbraw/zinc/05/85/57/798058557.db2.gz CDDCUFRSTLFFMQ-LPHOPBHVSA-N 2 0 339.499 2.487 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262151 798059281 /nfs/dbraw/zinc/05/92/81/798059281.db2.gz CDDCUFRSTLFFMQ-APWZRJJASA-N 2 0 339.499 2.487 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)[C@H]2C)CC1 ZINC000994494880 798093740 /nfs/dbraw/zinc/09/37/40/798093740.db2.gz FWDNIIRKHKWIGA-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382757 798287336 /nfs/dbraw/zinc/28/73/36/798287336.db2.gz UXUMLSLOZONBQF-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)CC1 ZINC001176737972 798542783 /nfs/dbraw/zinc/54/27/83/798542783.db2.gz OJPOCSQEBHPVKP-CXSQMQJXSA-N 2 0 339.911 2.349 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001176926415 798631142 /nfs/dbraw/zinc/63/11/42/798631142.db2.gz LIDKUTHXEUHYSO-GOSISDBHSA-N 2 0 341.499 2.497 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176986365 798675256 /nfs/dbraw/zinc/67/52/56/798675256.db2.gz LVXLFJOLZLGSLY-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001112585518 806695374 /nfs/dbraw/zinc/69/53/74/806695374.db2.gz CQTSYICTLOJLJK-ZJOUEHCJSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001150794489 799445592 /nfs/dbraw/zinc/44/55/92/799445592.db2.gz KQLSDLAICSWIPA-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001003284493 799481385 /nfs/dbraw/zinc/48/13/85/799481385.db2.gz UBLXFQMBIRLKFU-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001179371473 799903368 /nfs/dbraw/zinc/90/33/68/799903368.db2.gz RRYQBYOGPJOCBQ-GOSISDBHSA-N 2 0 339.524 2.328 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001180259334 800336511 /nfs/dbraw/zinc/33/65/11/800336511.db2.gz BWZGICLKPCAKDK-HXUWFJFHSA-N 2 0 341.499 2.256 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182001655 800992339 /nfs/dbraw/zinc/99/23/39/800992339.db2.gz SKHUMCJGHUETRE-WSTZPKSXSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183091800 801454026 /nfs/dbraw/zinc/45/40/26/801454026.db2.gz OBVMVNISDIDZTE-WGSAOQKQSA-N 2 0 342.487 2.332 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616200 802175213 /nfs/dbraw/zinc/17/52/13/802175213.db2.gz ZAQLFICINKZOMR-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185119539 802359056 /nfs/dbraw/zinc/35/90/56/802359056.db2.gz FYHYNVIIVGXYFO-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001169127845 803623753 /nfs/dbraw/zinc/62/37/53/803623753.db2.gz SWPBRGFOQIQONB-UHFFFAOYSA-N 2 0 345.462 2.005 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001112964474 807714584 /nfs/dbraw/zinc/71/45/84/807714584.db2.gz XVRKURPGVDXCHW-HKUYNNGSSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001086609619 810043423 /nfs/dbraw/zinc/04/34/23/810043423.db2.gz OTLFFSGHOUQVTD-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290613 810780787 /nfs/dbraw/zinc/78/07/87/810780787.db2.gz KSGFFILBBJJWTC-YRXWBPOGSA-N 2 0 331.504 2.121 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001130401751 811580570 /nfs/dbraw/zinc/58/05/70/811580570.db2.gz MGZWWNKISOKWAT-HNNXBMFYSA-N 2 0 347.507 2.122 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412297 811600351 /nfs/dbraw/zinc/60/03/51/811600351.db2.gz NYPFESLJJAKEEF-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130399163 811610367 /nfs/dbraw/zinc/61/03/67/811610367.db2.gz OOTDORQRQCRUGF-NVXWUHKLSA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CC)C1 ZINC001130438023 811667366 /nfs/dbraw/zinc/66/73/66/811667366.db2.gz IXDMLURPBQNOIU-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C=CCCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001130450635 811683109 /nfs/dbraw/zinc/68/31/09/811683109.db2.gz RNYUZCYBNMTLCI-INIZCTEOSA-N 2 0 347.507 2.122 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001131666843 813095856 /nfs/dbraw/zinc/09/58/56/813095856.db2.gz SZCXUEUTILUCFP-PKOBYXMFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001439888529 1092944923 /nfs/dbraw/zinc/94/49/23/1092944923.db2.gz TYTRKFQBXODPQD-INIZCTEOSA-N 2 0 325.884 2.196 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001440599684 1093864108 /nfs/dbraw/zinc/86/41/08/1093864108.db2.gz QEPHBBJTPDYSSF-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831689 1095890786 /nfs/dbraw/zinc/89/07/86/1095890786.db2.gz FJHPLHFWAKRMJT-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001501077913 1113190760 /nfs/dbraw/zinc/19/07/60/1113190760.db2.gz ZUXRPEHIJAMIDW-GDBMZVCRSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000491625622 246086323 /nfs/dbraw/zinc/08/63/23/246086323.db2.gz KQWITJBQMOXAND-QGZVFWFLSA-N 2 0 327.472 2.148 20 30 EEEDRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373978 286909674 /nfs/dbraw/zinc/90/96/74/286909674.db2.gz CAJAOBKTXPUZGR-HZPDHXFCSA-N 2 0 340.393 2.435 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528353725 267057703 /nfs/dbraw/zinc/05/77/03/267057703.db2.gz UTBPMWHEFJILBL-LJQANCHMSA-N 2 0 345.487 2.352 20 30 EEEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000421320386 267332615 /nfs/dbraw/zinc/33/26/15/267332615.db2.gz BZDZMLJPLZFJDH-UHFFFAOYSA-N 2 0 330.451 2.346 20 30 EEEDRP CC1CC[NH+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000550153618 318447767 /nfs/dbraw/zinc/44/77/67/318447767.db2.gz WAHOLDOUMPTWTI-UHFFFAOYSA-N 2 0 326.448 2.203 20 30 EEEDRP O=C(CN1CCC[C@@H](c2ncc3n2CCCC3)C1)NC(=O)NC1CC1 ZINC000328660968 465092545 /nfs/dbraw/zinc/09/25/45/465092545.db2.gz WIDVFGZFFVLHLT-CYBMUJFWSA-N 2 0 345.447 2.432 20 30 EEEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000358429972 465117584 /nfs/dbraw/zinc/11/75/84/465117584.db2.gz RPOHUUHVACILRP-QGZVFWFLSA-N 2 0 336.524 2.438 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000297460198 465257695 /nfs/dbraw/zinc/25/76/95/465257695.db2.gz MWCXQWBNSDTYQL-UHFFFAOYSA-N 2 0 344.503 2.283 20 30 EEEDRP CCOCCCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910623 463740168 /nfs/dbraw/zinc/74/01/68/463740168.db2.gz ZPHQTNQPDYNFOE-UHFFFAOYSA-N 2 0 332.492 2.230 20 30 EEEDRP C=CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261898242 463892545 /nfs/dbraw/zinc/89/25/45/463892545.db2.gz VKJPAFJKKAMBPT-QAPCUYQASA-N 2 0 326.448 2.211 20 30 EEEDRP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261978857 463916481 /nfs/dbraw/zinc/91/64/81/463916481.db2.gz OINGBXZBMLNLJA-HIFRSBDPSA-N 2 0 348.520 2.180 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000264075653 464279730 /nfs/dbraw/zinc/27/97/30/464279730.db2.gz FRBLKMNWDKRMAK-HNNXBMFYSA-N 2 0 348.491 2.025 20 30 EEEDRP CCCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000264133322 464286691 /nfs/dbraw/zinc/28/66/91/464286691.db2.gz YSKCMTUTRNNHIS-INIZCTEOSA-N 2 0 348.491 2.373 20 30 EEEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293637641 464415342 /nfs/dbraw/zinc/41/53/42/464415342.db2.gz ROAUZZMQQHZTHA-UXHICEINSA-N 2 0 326.488 2.428 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000245685391 464506396 /nfs/dbraw/zinc/50/63/96/464506396.db2.gz KUDDMUGAHDFRGJ-MSOLQXFVSA-N 2 0 334.508 2.335 20 30 EEEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267410066 464930623 /nfs/dbraw/zinc/93/06/23/464930623.db2.gz YBCYYYLHWQHNBY-UHFFFAOYSA-N 2 0 343.519 2.318 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C(F)(F)F)cs1 ZINC000267430410 464932479 /nfs/dbraw/zinc/93/24/79/464932479.db2.gz MLIKLINISYTDBP-SNVBAGLBSA-N 2 0 349.426 2.093 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000593918901 468433971 /nfs/dbraw/zinc/43/39/71/468433971.db2.gz KGTPBNAWWNMWKZ-QZTJIDSGSA-N 2 0 340.471 2.156 20 30 EEEDRP Cn1cncc1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330011304 465506121 /nfs/dbraw/zinc/50/61/21/465506121.db2.gz ITPSGTVAWHBPFC-IAGOWNOFSA-N 2 0 334.464 2.077 20 30 EEEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338913490 466478386 /nfs/dbraw/zinc/47/83/86/466478386.db2.gz QWGXLMBVVJGIKU-AEFFLSMTSA-N 2 0 334.508 2.239 20 30 EEEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000424138060 466987522 /nfs/dbraw/zinc/98/75/22/466987522.db2.gz SZXAZIHDXMQNBU-ROUUACIJSA-N 2 0 328.460 2.131 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000490650699 468230649 /nfs/dbraw/zinc/23/06/49/468230649.db2.gz OYRLOUXJDGGXKZ-UHFFFAOYSA-N 2 0 339.483 2.461 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592066067 468610342 /nfs/dbraw/zinc/61/03/42/468610342.db2.gz GUUMLWJOBNMQDM-ROUUACIJSA-N 2 0 328.460 2.036 20 30 EEEDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)C[NH+]1CCCCC1 ZINC000600717531 468632425 /nfs/dbraw/zinc/63/24/25/468632425.db2.gz BNZOHLNCDKSBIO-SJLPKXTDSA-N 2 0 331.460 2.010 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)COc2ccccc2C#N)CCCC1 ZINC000600734755 468642196 /nfs/dbraw/zinc/64/21/96/468642196.db2.gz KMFXHMJOPQALOC-KRWDZBQOSA-N 2 0 331.460 2.010 20 30 EEEDRP C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000611391891 469239821 /nfs/dbraw/zinc/23/98/21/469239821.db2.gz CVAICDIPYADAGH-OXQOHEQNSA-N 2 0 326.488 2.409 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660705221 471452439 /nfs/dbraw/zinc/45/24/39/471452439.db2.gz TXUTZJRKLLZZKQ-QGZVFWFLSA-N 2 0 334.508 2.343 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000291923139 526931293 /nfs/dbraw/zinc/93/12/93/526931293.db2.gz RWERIFDWZUNICJ-XLIONFOSSA-N 2 0 339.483 2.111 20 30 EEEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291452216 527025802 /nfs/dbraw/zinc/02/58/02/527025802.db2.gz MDLIEIQINIDUTO-SFHVURJKSA-N 2 0 339.483 2.112 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000970925897 676245848 /nfs/dbraw/zinc/24/58/48/676245848.db2.gz SLKLCHIKSDIOPT-KRWDZBQOSA-N 2 0 343.515 2.269 20 30 EEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970954541 676268870 /nfs/dbraw/zinc/26/88/70/676268870.db2.gz ODTWOZHPWLJFSB-HNNXBMFYSA-N 2 0 331.460 2.195 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261598001 676333703 /nfs/dbraw/zinc/33/37/03/676333703.db2.gz AGRATZDOGYDNJA-IXDOHACOSA-N 2 0 338.540 2.287 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000972858424 679825287 /nfs/dbraw/zinc/82/52/87/679825287.db2.gz YBLAISYLGDOTIN-HZPDHXFCSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023481689 679334732 /nfs/dbraw/zinc/33/47/32/679334732.db2.gz LNCGATIPEGTUAG-MRXNPFEDSA-N 2 0 339.443 2.285 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588969 679398131 /nfs/dbraw/zinc/39/81/31/679398131.db2.gz QGDRBEDPALEQRK-IBGZPJMESA-N 2 0 341.499 2.256 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001024366921 679883807 /nfs/dbraw/zinc/88/38/07/679883807.db2.gz WFHMBYHSQQNZAM-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984798813 685273645 /nfs/dbraw/zinc/27/36/45/685273645.db2.gz CAQANJHJTQVOOT-SNRMKQJTSA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618552 681806276 /nfs/dbraw/zinc/80/62/76/681806276.db2.gz XGHDUGTYXIBOMA-NRSPTQNISA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641481 681938011 /nfs/dbraw/zinc/93/80/11/681938011.db2.gz NDVUFBCESKFEBF-LFGUQSLTSA-N 2 0 331.504 2.360 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982693956 682047602 /nfs/dbraw/zinc/04/76/02/682047602.db2.gz HAVHBACISOTFNJ-BGYRXZFFSA-N 2 0 333.520 2.463 20 30 EEEDRP N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001025161016 682134746 /nfs/dbraw/zinc/13/47/46/682134746.db2.gz ZRCPHMFGMCZVCR-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261230 682354257 /nfs/dbraw/zinc/35/42/57/682354257.db2.gz UHVANWJNNFAXCH-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281334 682391159 /nfs/dbraw/zinc/39/11/59/682391159.db2.gz TWMBQZAZIREISY-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894460914 682909939 /nfs/dbraw/zinc/90/99/39/682909939.db2.gz IFNCITUAMLBDAD-CYBMUJFWSA-N 2 0 328.359 2.096 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025597496 683081085 /nfs/dbraw/zinc/08/10/85/683081085.db2.gz RAIMEWQOAOQZKO-LSDHHAIUSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001025630813 683168327 /nfs/dbraw/zinc/16/83/27/683168327.db2.gz WSLBGJWGIAFVOT-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001029767605 687036928 /nfs/dbraw/zinc/03/69/28/687036928.db2.gz VSILUAKAMPGBBP-RHSMWYFYSA-N 2 0 348.516 2.240 20 30 EEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000985594829 687281764 /nfs/dbraw/zinc/28/17/64/687281764.db2.gz DMOSDGDPPFRVER-IBGZPJMESA-N 2 0 349.519 2.129 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332599 687515286 /nfs/dbraw/zinc/51/52/86/687515286.db2.gz OZOXLSHKSUSYFL-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC000987569931 689845928 /nfs/dbraw/zinc/84/59/28/689845928.db2.gz JFNKJJXLOJOCQR-QFBILLFUSA-N 2 0 345.531 2.347 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391378 691668290 /nfs/dbraw/zinc/66/82/90/691668290.db2.gz ROXBHHZWSOOGEQ-DZGCQCFKSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000977659804 692889426 /nfs/dbraw/zinc/88/94/26/692889426.db2.gz YETWJJYPAOSMPU-AEFFLSMTSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990686128 693219164 /nfs/dbraw/zinc/21/91/64/693219164.db2.gz NMNVXBLERVDVGU-QWFCFKBJSA-N 2 0 331.504 2.408 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001027581589 693257965 /nfs/dbraw/zinc/25/79/65/693257965.db2.gz GENMLEAWKUFCSE-OALUTQOASA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001482492128 1186309994 /nfs/dbraw/zinc/30/99/94/1186309994.db2.gz IGBXGARXYOGYIQ-ZFWWWQNUSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCOC[C@@H]1c2nnn(CC)c2CCN1C1CCC([NH+](C)C)CC1 ZINC001168318795 1188288524 /nfs/dbraw/zinc/28/85/24/1188288524.db2.gz GQBPTOATXWCDGD-LEOMRAHMSA-N 2 0 347.507 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(CC)CC)C2)CC1 ZINC001101025007 1188390790 /nfs/dbraw/zinc/39/07/90/1188390790.db2.gz QPQPLKBEWZRSBE-UHFFFAOYSA-N 2 0 333.520 2.252 20 30 EEEDRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001485962144 1193660194 /nfs/dbraw/zinc/66/01/94/1193660194.db2.gz VQHYXKPRVAKXEL-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001483908469 1191120196 /nfs/dbraw/zinc/12/01/96/1191120196.db2.gz KVVWOFBKGLJJBC-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273039773 1194344264 /nfs/dbraw/zinc/34/42/64/1194344264.db2.gz VBBOMZFNKOJILN-HXUWFJFHSA-N 2 0 346.519 2.479 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440470 1194571483 /nfs/dbraw/zinc/57/14/83/1194571483.db2.gz PYPOTHDFCDHVMO-AQNXPRMDSA-N 2 0 341.499 2.441 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332376 1196102435 /nfs/dbraw/zinc/10/24/35/1196102435.db2.gz YGWYNKJGEGWGDI-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001034537381 1196357408 /nfs/dbraw/zinc/35/74/08/1196357408.db2.gz AZTZXBPMJOYNIZ-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)CC1 ZINC001034795406 1196732669 /nfs/dbraw/zinc/73/26/69/1196732669.db2.gz CDXDZYLPDGKCKX-WGSAOQKQSA-N 2 0 331.504 2.149 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCCCC1 ZINC001134750400 1199791266 /nfs/dbraw/zinc/79/12/66/1199791266.db2.gz XEIMMEXJYZRGDL-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519202 1199804509 /nfs/dbraw/zinc/80/45/09/1199804509.db2.gz VAXOGHLRVSCLOM-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001133117646 1200470873 /nfs/dbraw/zinc/47/08/73/1200470873.db2.gz NCERQQRIGPFXEV-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)CCC ZINC001133410640 1200879154 /nfs/dbraw/zinc/87/91/54/1200879154.db2.gz SWMXUZVXFYIRAJ-UHFFFAOYSA-N 2 0 335.879 2.233 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001276242051 1205850316 /nfs/dbraw/zinc/85/03/16/1205850316.db2.gz FGIHHKLXPFCITB-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111040570 1207676158 /nfs/dbraw/zinc/67/61/58/1207676158.db2.gz QWLJCKVQLAOYMP-MKXGPGLRSA-N 2 0 349.519 2.175 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000948705643 1209312883 /nfs/dbraw/zinc/31/28/83/1209312883.db2.gz ITKFANPRFOSWKE-HKUYNNGSSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CCO2 ZINC000949089153 1209531561 /nfs/dbraw/zinc/53/15/61/1209531561.db2.gz BEQHTXQMOOWUPU-GOSISDBHSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000303971845 1213934204 /nfs/dbraw/zinc/93/42/04/1213934204.db2.gz FENUKHMIYZYQDK-HNNXBMFYSA-N 2 0 346.475 2.082 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603034 1215248302 /nfs/dbraw/zinc/24/83/02/1215248302.db2.gz LUVLUULLVWGJRP-QZTJIDSGSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)Cn3ccnc3C(C)C)CC2)CC1 ZINC000957615274 1215258674 /nfs/dbraw/zinc/25/86/74/1215258674.db2.gz WSFXZCQYDNIHKS-UHFFFAOYSA-N 2 0 342.487 2.344 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000959928368 1216237062 /nfs/dbraw/zinc/23/70/62/1216237062.db2.gz YNQIGGAZMCRPLS-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC2)CC1 ZINC001037276078 1216277791 /nfs/dbraw/zinc/27/77/91/1216277791.db2.gz GSGQNINADWXBIJ-OALUTQOASA-N 2 0 331.504 2.006 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000960215267 1216430199 /nfs/dbraw/zinc/43/01/99/1216430199.db2.gz GVLAIDNWJHOKLU-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357230 1217551182 /nfs/dbraw/zinc/55/11/82/1217551182.db2.gz IXGVXPKEDFDCGG-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390117 1217587019 /nfs/dbraw/zinc/58/70/19/1217587019.db2.gz JINUFOAHDAMZOU-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000963912295 1218121883 /nfs/dbraw/zinc/12/18/83/1218121883.db2.gz IOYITJJJOUQTSN-IUDNXUCKSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001037872893 1219733062 /nfs/dbraw/zinc/73/30/62/1219733062.db2.gz NLCRRRPXWDDPTG-AEFFLSMTSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC001037985323 1220890727 /nfs/dbraw/zinc/89/07/27/1220890727.db2.gz VBXZVXQTIHMGCZ-PKOBYXMFSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707060 1226803857 /nfs/dbraw/zinc/80/38/57/1226803857.db2.gz QEBXNRBFZFRGPV-OAHLLOKOSA-N 2 0 337.895 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC=C(C)C)CC3)CC1 ZINC001016983953 1227013782 /nfs/dbraw/zinc/01/37/82/1227013782.db2.gz ASRVTKRHSBXOPM-IBGZPJMESA-N 2 0 343.515 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CCC(C)C)CC3)CC1 ZINC001016984996 1227014369 /nfs/dbraw/zinc/01/43/69/1227014369.db2.gz HSMOAPAUGBMZLT-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001020251448 1229583999 /nfs/dbraw/zinc/58/39/99/1229583999.db2.gz NHZAPUBPBQHYEG-AXUOBQJMSA-N 2 0 343.446 2.221 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039172664 1230398308 /nfs/dbraw/zinc/39/83/08/1230398308.db2.gz AYHIIIGXKPCDDB-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699993 1231340315 /nfs/dbraw/zinc/34/03/15/1231340315.db2.gz FYVUAVHVFOQPDM-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817528 1231378610 /nfs/dbraw/zinc/37/86/10/1231378610.db2.gz SRDLCJJYWUHXBK-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001040876416 1231393355 /nfs/dbraw/zinc/39/33/55/1231393355.db2.gz FWGSHBHHHRQLFN-MRXNPFEDSA-N 2 0 330.476 2.479 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882221 1231394954 /nfs/dbraw/zinc/39/49/54/1231394954.db2.gz AWSJADISDZFFDR-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041680812 1231648333 /nfs/dbraw/zinc/64/83/33/1231648333.db2.gz VULHQLNXABRBKS-PMACEKPBSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845747 1231728681 /nfs/dbraw/zinc/72/86/81/1231728681.db2.gz PKMSCZVFTIHXGY-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063233 1231862280 /nfs/dbraw/zinc/86/22/80/1231862280.db2.gz SUABWCKJRSAPQV-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042112465 1231897138 /nfs/dbraw/zinc/89/71/38/1231897138.db2.gz RJSCJKADZFXVKP-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001042367569 1232049634 /nfs/dbraw/zinc/04/96/34/1232049634.db2.gz HZVUGUZRPZNQNZ-ICSRJNTNSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC4CC4)[C@@H]3C2)CC1 ZINC001042369415 1232050809 /nfs/dbraw/zinc/05/08/09/1232050809.db2.gz XTSYZVGQBJSGRS-UYAOXDASSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001045079245 1233489284 /nfs/dbraw/zinc/48/92/84/1233489284.db2.gz ZRRMKJQECAVDTK-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001045982007 1234274918 /nfs/dbraw/zinc/27/49/18/1234274918.db2.gz LSVSAXFQHZQFDZ-RTWAWAEBSA-N 2 0 343.515 2.200 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047261338 1235768744 /nfs/dbraw/zinc/76/87/44/1235768744.db2.gz FCMZTJSECRNNEK-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860134 1239059085 /nfs/dbraw/zinc/05/90/85/1239059085.db2.gz IGHLXTIDXNLUBQ-ZACQAIPSSA-N 2 0 339.911 2.107 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000240345 1240093066 /nfs/dbraw/zinc/09/30/66/1240093066.db2.gz GURUWKBVEPHVKJ-IRXDYDNUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049165790 1240164387 /nfs/dbraw/zinc/16/43/87/1240164387.db2.gz CRBGFGBRCQUURL-UEXGIBASSA-N 2 0 341.499 2.430 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000654647 1240669226 /nfs/dbraw/zinc/66/92/26/1240669226.db2.gz GCBSEKHNVPAXTF-QGZVFWFLSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001000939715 1241260214 /nfs/dbraw/zinc/26/02/14/1241260214.db2.gz SCSXOVINXJPGTH-UHFFFAOYSA-N 2 0 337.427 2.205 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001050637048 1244004042 /nfs/dbraw/zinc/00/40/42/1244004042.db2.gz WHHADBGFSYQKTC-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240556 1245558484 /nfs/dbraw/zinc/55/84/84/1245558484.db2.gz BHJKSGIFYWDMAS-GGPKGHCWSA-N 2 0 331.504 2.075 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286162 1245612660 /nfs/dbraw/zinc/61/26/60/1245612660.db2.gz LPMXRXMSJCLSHN-XLIONFOSSA-N 2 0 342.487 2.264 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027114 1245705033 /nfs/dbraw/zinc/70/50/33/1245705033.db2.gz AFHNEQRVUZWQEM-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053086086 1245859751 /nfs/dbraw/zinc/85/97/51/1245859751.db2.gz AYFMXPBDPBWSRF-MJGOQNOKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243835 1254089385 /nfs/dbraw/zinc/08/93/85/1254089385.db2.gz MAHWBBBCAJONJP-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074812118 1257148934 /nfs/dbraw/zinc/14/89/34/1257148934.db2.gz XXAKXMJXTBJKAD-SNRMKQJTSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880720 1257190368 /nfs/dbraw/zinc/19/03/68/1257190368.db2.gz VOWAOZGNOLREFD-RLFYNMQTSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115988 1257977709 /nfs/dbraw/zinc/97/77/09/1257977709.db2.gz MHAZLYNHDCITNE-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C[C@@H](C)CC)C3)CC1 ZINC001099174508 1257993173 /nfs/dbraw/zinc/99/31/73/1257993173.db2.gz QGSIGHVCJWAVGD-CUWPLCDZSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519449 1258188001 /nfs/dbraw/zinc/18/80/01/1258188001.db2.gz HXPFNUZRZNCCAP-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001100769549 1259238818 /nfs/dbraw/zinc/23/88/18/1259238818.db2.gz PJCCQDWLMOJTRW-UHFFFAOYSA-N 2 0 345.462 2.003 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185411729 1278642220 /nfs/dbraw/zinc/64/22/20/1278642220.db2.gz LNTXLXLSVQADBS-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC(=C)C)[C@@H](C)C2)CC1 ZINC001185741410 1278768581 /nfs/dbraw/zinc/76/85/81/1278768581.db2.gz LAQQUMUBKSSSCO-AZUAARDMSA-N 2 0 345.531 2.372 20 30 EEEDRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188118293 1279769494 /nfs/dbraw/zinc/76/94/94/1279769494.db2.gz SGVXFUMJUUJOQP-HXUWFJFHSA-N 2 0 339.483 2.105 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190467650 1280916227 /nfs/dbraw/zinc/91/62/27/1280916227.db2.gz WZSSLEOYZUKSMP-RBUKOAKNSA-N 2 0 327.472 2.227 20 30 EEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001192407197 1281977007 /nfs/dbraw/zinc/97/70/07/1281977007.db2.gz SFJRIMZGGBJMAZ-IBGZPJMESA-N 2 0 329.488 2.270 20 30 EEEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406776 1283035451 /nfs/dbraw/zinc/03/54/51/1283035451.db2.gz ADXLDSYMBHLGQY-INIZCTEOSA-N 2 0 331.460 2.291 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196129040 1283912106 /nfs/dbraw/zinc/91/21/06/1283912106.db2.gz HJXMUAAFFVXIKG-KZNAEPCWSA-N 2 0 341.540 2.239 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001152330207 1284547508 /nfs/dbraw/zinc/54/75/08/1284547508.db2.gz IUNMMWXJJSHDGR-HXUWFJFHSA-N 2 0 339.483 2.115 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198864510 1285377853 /nfs/dbraw/zinc/37/78/53/1285377853.db2.gz AVWJXASBNHLCQC-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CCCO1 ZINC001201668988 1289708306 /nfs/dbraw/zinc/70/83/06/1289708306.db2.gz NVUXJCMEJBXMQP-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000852099350 1291991837 /nfs/dbraw/zinc/99/18/37/1291991837.db2.gz KIPKUYVOUAWUPB-NRFANRHFSA-N 2 0 341.499 2.467 20 30 EEEDRP C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852098871 1291991978 /nfs/dbraw/zinc/99/19/78/1291991978.db2.gz YDBJORJFDGANNH-HXUWFJFHSA-N 2 0 342.487 2.159 20 30 EEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001202503925 1294900546 /nfs/dbraw/zinc/90/05/46/1294900546.db2.gz PWNLZQQBGQFCHJ-GOSISDBHSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095258 1295236068 /nfs/dbraw/zinc/23/60/68/1295236068.db2.gz GXDHCWNOPNLAFE-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001211233791 1295772492 /nfs/dbraw/zinc/77/24/92/1295772492.db2.gz OXRSJQRFDUYCNU-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(C#N)cc([N+](=O)[O-])c2)CC1 ZINC001211329006 1295822611 /nfs/dbraw/zinc/82/26/11/1295822611.db2.gz QLSCHKGOLHEYMS-UHFFFAOYSA-N 2 0 338.371 2.357 20 30 EEEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218993874 1297899101 /nfs/dbraw/zinc/89/91/01/1297899101.db2.gz XHLLYGRDCSLZNO-VLIAUNLRSA-N 2 0 346.434 2.321 20 30 EEEDRP CCc1cc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc(CC)c1C#N ZINC001219112348 1297931129 /nfs/dbraw/zinc/93/11/29/1297931129.db2.gz DURWMQZENRWODI-GOSISDBHSA-N 2 0 340.471 2.496 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219129329 1297937103 /nfs/dbraw/zinc/93/71/03/1297937103.db2.gz LFTJQCZHQQBMJT-FZKQIMNGSA-N 2 0 333.407 2.046 20 30 EEEDRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643710 1298487537 /nfs/dbraw/zinc/48/75/37/1298487537.db2.gz PPPJYLJYPZSDOW-FUHWJXTLSA-N 2 0 340.471 2.049 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714103 1299002195 /nfs/dbraw/zinc/00/21/95/1299002195.db2.gz NQZYFIGFQOXDQV-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001222913808 1299917925 /nfs/dbraw/zinc/91/79/25/1299917925.db2.gz XEWFIDZLROVNKJ-QYZOEREBSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224289290 1300530111 /nfs/dbraw/zinc/53/01/11/1300530111.db2.gz JQBYLCYTOUJOIZ-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224796912 1300741199 /nfs/dbraw/zinc/74/11/99/1300741199.db2.gz UYLNZWCACAFEBI-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP CCCCCCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035065 1303028280 /nfs/dbraw/zinc/02/82/80/1303028280.db2.gz PWHRSPZCXFANER-UHFFFAOYSA-N 2 0 327.513 2.116 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495861 1303035436 /nfs/dbraw/zinc/03/54/36/1303035436.db2.gz WGACXJADTOREIW-CEXWTWQISA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001230284595 1303141788 /nfs/dbraw/zinc/14/17/88/1303141788.db2.gz MNJXQHKZAKRLKZ-IAGOWNOFSA-N 2 0 348.516 2.477 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113056 1304251232 /nfs/dbraw/zinc/25/12/32/1304251232.db2.gz BEOKFUIFUVRYKV-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001235280405 1305176123 /nfs/dbraw/zinc/17/61/23/1305176123.db2.gz JJUKMNLLXIDJNV-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCCCC1 ZINC001115690940 1305621259 /nfs/dbraw/zinc/62/12/59/1305621259.db2.gz DHGRRCHCKHPQBL-QGZVFWFLSA-N 2 0 337.508 2.080 20 30 EEEDRP N#CC1(c2ccccc2-c2ccc(N3CC[NH2+]CC3)nc2)CC[NH2+]CC1 ZINC001240491093 1309343650 /nfs/dbraw/zinc/34/36/50/1309343650.db2.gz FUSCTBCNJZQWAM-UHFFFAOYSA-N 2 0 347.466 2.303 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117710 1309920850 /nfs/dbraw/zinc/92/08/50/1309920850.db2.gz QTANJENPUCBOPT-RJKRPDFYSA-N 2 0 331.504 2.454 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1CCC2(CC[NH2+]CC2)CC1 ZINC001246314661 1310278930 /nfs/dbraw/zinc/27/89/30/1310278930.db2.gz YIZWQTSZYJFDTI-KRWDZBQOSA-N 2 0 337.508 2.115 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001161041656 1320365596 /nfs/dbraw/zinc/36/55/96/1320365596.db2.gz KURUYQHCOLLBPR-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452630 1316267584 /nfs/dbraw/zinc/26/75/84/1316267584.db2.gz HLNYFTWHPFHKSJ-ROUUACIJSA-N 2 0 339.524 2.136 20 30 EEEDRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)c1 ZINC001152237581 1316649159 /nfs/dbraw/zinc/64/91/59/1316649159.db2.gz QFNFQNHUZXUBJK-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCC1 ZINC001152480417 1316678107 /nfs/dbraw/zinc/67/81/07/1316678107.db2.gz STZGXLBFPLQTOX-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930703 1316918997 /nfs/dbraw/zinc/91/89/97/1316918997.db2.gz XOZRQQBCKWTGFQ-APWZRJJASA-N 2 0 344.503 2.471 20 30 EEEDRP CC[C@@H](CC#N)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001255152562 1318304439 /nfs/dbraw/zinc/30/44/39/1318304439.db2.gz XMHUCFKKIASOGO-ZWKOTPCHSA-N 2 0 342.487 2.083 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001157886257 1318916897 /nfs/dbraw/zinc/91/68/97/1318916897.db2.gz DEKBRGWXQXVKJV-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161649512 1320570021 /nfs/dbraw/zinc/57/00/21/1320570021.db2.gz KQPKOYDGPJGZSF-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863706 1320653012 /nfs/dbraw/zinc/65/30/12/1320653012.db2.gz ODILJXMBURILQA-UHFFFAOYSA-N 2 0 333.395 2.116 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001162810825 1320965304 /nfs/dbraw/zinc/96/53/04/1320965304.db2.gz RFXMDVDQLRNIJN-VQTJNVASSA-N 2 0 341.499 2.011 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001162928847 1320990108 /nfs/dbraw/zinc/99/01/08/1320990108.db2.gz PQDGVZPJLUUDTJ-LJQANCHMSA-N 2 0 341.499 2.012 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163007319 1321012216 /nfs/dbraw/zinc/01/22/16/1321012216.db2.gz QPXBNZIJPZPMSQ-UHFFFAOYSA-N 2 0 329.488 2.011 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001264997684 1322845672 /nfs/dbraw/zinc/84/56/72/1322845672.db2.gz PSKMMKALSDXRMK-SFHVURJKSA-N 2 0 348.466 2.222 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208111240 1324321868 /nfs/dbraw/zinc/32/18/68/1324321868.db2.gz IGZZFWFPUYVPPS-UHFFFAOYSA-N 3 0 334.552 2.010 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208330820 1324429879 /nfs/dbraw/zinc/42/98/79/1324429879.db2.gz GLHIZSFDYXYZDN-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210221312 1325205654 /nfs/dbraw/zinc/20/56/54/1325205654.db2.gz ZNZNXKAMUOFXIL-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001341644577 1337295777 /nfs/dbraw/zinc/29/57/77/1337295777.db2.gz IJWMQZMPEOKXQW-CALCHBBNSA-N 2 0 327.472 2.004 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704708 1338536087 /nfs/dbraw/zinc/53/60/87/1338536087.db2.gz PFNJBCYSPJNGGQ-AEFFLSMTSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200722545 1338550357 /nfs/dbraw/zinc/55/03/57/1338550357.db2.gz ZNJJNSZETYHQIK-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C#N ZINC001578875633 1344312309 /nfs/dbraw/zinc/31/23/09/1344312309.db2.gz SPWGCEPYZVJPJP-GJZGRUSLSA-N 2 0 327.428 2.166 20 30 EEEDRP C=CCCOc1ccc(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])cc1 ZINC001195140087 1368503040 /nfs/dbraw/zinc/50/30/40/1368503040.db2.gz IFQOMXSLZAGHMI-UHFFFAOYSA-N 2 0 332.448 2.319 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CCCO1 ZINC001202200629 1368893274 /nfs/dbraw/zinc/89/32/74/1368893274.db2.gz OZCGTQVAUATOBY-QGZVFWFLSA-N 2 0 349.475 2.128 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200578305 1373055644 /nfs/dbraw/zinc/05/56/44/1373055644.db2.gz RLYWZIDRNSDZOD-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001379169124 1380611468 /nfs/dbraw/zinc/61/14/68/1380611468.db2.gz JCZHDWBXGHAAQJ-HZPDHXFCSA-N 2 0 327.900 2.489 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001380288994 1381153993 /nfs/dbraw/zinc/15/39/93/1381153993.db2.gz FWPXURZLELMSBD-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1C#N ZINC001390663725 1388723267 /nfs/dbraw/zinc/72/32/67/1388723267.db2.gz LWROALAITWQRHY-OAHLLOKOSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001392980153 1390271809 /nfs/dbraw/zinc/27/18/09/1390271809.db2.gz HXOXDIMWGATDAQ-UHFFFAOYSA-N 2 0 327.900 2.395 20 30 EEEDRP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001752823628 1406446989 /nfs/dbraw/zinc/44/69/89/1406446989.db2.gz GJHFIFPTODRRCJ-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399331786 1394978588 /nfs/dbraw/zinc/97/85/88/1394978588.db2.gz CTXLLJOCLHJHTP-OAHLLOKOSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCCCC)C3)C2)CC1 ZINC001754568167 1406927554 /nfs/dbraw/zinc/92/75/54/1406927554.db2.gz AYUVLQOCRBQAEW-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001402579069 1398071307 /nfs/dbraw/zinc/07/13/07/1398071307.db2.gz WCISNWQLRHOJEM-CYBMUJFWSA-N 2 0 346.313 2.110 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001755097260 1407110261 /nfs/dbraw/zinc/11/02/61/1407110261.db2.gz BWOKGQGIFCNMMN-IRXDYDNUSA-N 2 0 337.508 2.080 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001424210878 1400971853 /nfs/dbraw/zinc/97/18/53/1400971853.db2.gz AQSOESUJOKDQGE-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001425594749 1401649991 /nfs/dbraw/zinc/64/99/91/1401649991.db2.gz NAKXOFASACUOHD-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001426138053 1401902326 /nfs/dbraw/zinc/90/23/26/1401902326.db2.gz QNYFXAJWVAHKIH-AWEZNQCLSA-N 2 0 327.900 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001755619840 1407687399 /nfs/dbraw/zinc/68/73/99/1407687399.db2.gz ZUQUWFVJQCFJQW-MRXNPFEDSA-N 2 0 345.462 2.107 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001755658495 1407709489 /nfs/dbraw/zinc/70/94/89/1407709489.db2.gz NEJWEPOHHWBXKH-GDBMZVCRSA-N 2 0 325.416 2.036 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001755768664 1407828883 /nfs/dbraw/zinc/82/88/83/1407828883.db2.gz SRUAMHNRYWKYGN-HIFRSBDPSA-N 2 0 347.425 2.273 20 30 EEEDRP CC[NH+](CC)C1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001165053016 722000167 /nfs/dbraw/zinc/00/01/67/722000167.db2.gz ZGNRIMPZROSVCM-UHFFFAOYSA-N 2 0 327.476 2.300 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)s1 ZINC001168030032 782398547 /nfs/dbraw/zinc/39/85/47/782398547.db2.gz LVGWMDZXBKGKMM-RHSMWYFYSA-N 2 0 346.500 2.233 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001167634502 760786152 /nfs/dbraw/zinc/78/61/52/760786152.db2.gz FOTSXJAUTJJRAE-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304133 761545593 /nfs/dbraw/zinc/54/55/93/761545593.db2.gz XUPLIKWEXFCZSN-NEWSRXKRSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681705 764734610 /nfs/dbraw/zinc/73/46/10/764734610.db2.gz NJYZYBRZMUBFPZ-GPMSIDNRSA-N 2 0 339.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C2)CC1 ZINC001105062437 768977446 /nfs/dbraw/zinc/97/74/46/768977446.db2.gz QRUTUHKJUTWWGJ-IEBWSBKVSA-N 2 0 333.520 2.062 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445042 769263021 /nfs/dbraw/zinc/26/30/21/769263021.db2.gz CRKMZUOQCWLTPA-MOPGFXCFSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564548 770408577 /nfs/dbraw/zinc/40/85/77/770408577.db2.gz BQPBBKNTETVETB-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564849 770422133 /nfs/dbraw/zinc/42/21/33/770422133.db2.gz JXATYOHLDRHLNE-GOSISDBHSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212820 783065955 /nfs/dbraw/zinc/06/59/55/783065955.db2.gz SKESXMRZUGYHJD-AABGKKOBSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980004967 773701319 /nfs/dbraw/zinc/70/13/19/773701319.db2.gz WQKKDGAQBLMQAG-BZSNNMDCSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154202 773965758 /nfs/dbraw/zinc/96/57/58/773965758.db2.gz HBSAVCOABHIVGE-RYQLBKOJSA-N 2 0 343.471 2.195 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098528 783190976 /nfs/dbraw/zinc/19/09/76/783190976.db2.gz UWUXZSFLEJKCNL-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC=C)CC1 ZINC001089736498 774821317 /nfs/dbraw/zinc/82/13/17/774821317.db2.gz XOUGXAALMMOKOK-GOSISDBHSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000981361343 777252368 /nfs/dbraw/zinc/25/23/68/777252368.db2.gz GUVMAGAIYBKGHT-FQEVSTJZSA-N 2 0 339.483 2.127 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC000939810349 777426471 /nfs/dbraw/zinc/42/64/71/777426471.db2.gz LTKRBJUWOUZAJG-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279993 779518529 /nfs/dbraw/zinc/51/85/29/779518529.db2.gz PPKSAHBXDKNLKE-JYAXBFRTSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982305992 779657733 /nfs/dbraw/zinc/65/77/33/779657733.db2.gz CLUDEUJVPXXXLL-IZZBFERCSA-N 2 0 343.515 2.197 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H]([NH+](CC)CC)C1 ZINC000261690483 780328561 /nfs/dbraw/zinc/32/85/61/780328561.db2.gz RUPIMVBBMVDVLM-FJIDUMEYSA-N 2 0 348.535 2.326 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261690531 780328718 /nfs/dbraw/zinc/32/87/18/780328718.db2.gz RUTJZSFZNVZEEF-XDNAFOTISA-N 2 0 346.519 2.080 20 30 EEEDRP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105395768 781889409 /nfs/dbraw/zinc/88/94/09/781889409.db2.gz FGSAHASAWUOCHB-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001088326766 783514923 /nfs/dbraw/zinc/51/49/23/783514923.db2.gz XNTKZOBFWAATJS-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001135314788 783597714 /nfs/dbraw/zinc/59/77/14/783597714.db2.gz HGQSJPLODQSHNF-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481741 783837696 /nfs/dbraw/zinc/83/76/96/783837696.db2.gz WQTCQIFIJUNWJA-MSOLQXFVSA-N 2 0 329.488 2.057 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC001135477385 783866550 /nfs/dbraw/zinc/86/65/50/783866550.db2.gz GBFFMMOPXLXAFF-SFHVURJKSA-N 2 0 330.476 2.130 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035260529 784216605 /nfs/dbraw/zinc/21/66/05/784216605.db2.gz YMUPDXAYFIPXQZ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135742990 784351175 /nfs/dbraw/zinc/35/11/75/784351175.db2.gz CDTGJMKSAJWROP-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744180 784352052 /nfs/dbraw/zinc/35/20/52/784352052.db2.gz XJUMREANHYVIKX-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861961 784653085 /nfs/dbraw/zinc/65/30/85/784653085.db2.gz ZQGNBZRHQDPEAR-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(C#N)cc1 ZINC001135938014 784829842 /nfs/dbraw/zinc/82/98/42/784829842.db2.gz CNMRFUAPOAUWFJ-CVEARBPZSA-N 2 0 340.471 2.027 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979030 784903407 /nfs/dbraw/zinc/90/34/07/784903407.db2.gz AYMYYLWGHCWHPK-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001105698212 785144747 /nfs/dbraw/zinc/14/47/47/785144747.db2.gz GPSJORWDTXJIRS-LPHOPBHVSA-N 2 0 349.519 2.127 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836215 785258239 /nfs/dbraw/zinc/25/82/39/785258239.db2.gz JBSRSYWILYIOSY-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914960 785837422 /nfs/dbraw/zinc/83/74/22/785837422.db2.gz NAVVQRPKODDGAF-HUUCEWRRSA-N 2 0 327.900 2.440 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146338484 791182824 /nfs/dbraw/zinc/18/28/24/791182824.db2.gz GTVFEZVFISDBOU-DLBZAZTESA-N 2 0 345.462 2.146 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC001088945126 791687504 /nfs/dbraw/zinc/68/75/04/791687504.db2.gz RECKWJGYZROEEN-PBHICJAKSA-N 2 0 325.416 2.036 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001147359117 791799353 /nfs/dbraw/zinc/79/93/53/791799353.db2.gz LLYVFTCHGMSIQV-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673564 792162986 /nfs/dbraw/zinc/16/29/86/792162986.db2.gz FRZAQXVGBXCBDD-UEXGIBASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C(F)(F)F ZINC000998318531 792571029 /nfs/dbraw/zinc/57/10/29/792571029.db2.gz ZUZBJRMETRAJGX-GJZGRUSLSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927044 793005709 /nfs/dbraw/zinc/00/57/09/793005709.db2.gz QPYCHINFBPXELI-KRWDZBQOSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943879 793449351 /nfs/dbraw/zinc/44/93/51/793449351.db2.gz HXBSLUQAWOOGNK-NSHGMRRFSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978552 806313061 /nfs/dbraw/zinc/31/30/61/806313061.db2.gz CGSOHTCILVSVAF-SQNIBIBYSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1F ZINC001079298862 794568967 /nfs/dbraw/zinc/56/89/67/794568967.db2.gz KBOUWJCSZNKJJQ-PKOBYXMFSA-N 2 0 345.462 2.380 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999515868 794572674 /nfs/dbraw/zinc/57/26/74/794572674.db2.gz ZRBQVODTJROESL-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093224583 794879365 /nfs/dbraw/zinc/87/93/65/794879365.db2.gz BTAPXUNZNSEDPQ-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093371981 795103467 /nfs/dbraw/zinc/10/34/67/795103467.db2.gz XNEQPGIVYIRBJZ-SFHVURJKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093382651 795123954 /nfs/dbraw/zinc/12/39/54/795123954.db2.gz CMBULRBYJSRXAV-MOPGFXCFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036864083 795563518 /nfs/dbraw/zinc/56/35/18/795563518.db2.gz RELCKVWEFYBIFV-MOPGFXCFSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445079 796252201 /nfs/dbraw/zinc/25/22/01/796252201.db2.gz PVSCVJLKVUQQFL-IEBWSBKVSA-N 2 0 331.504 2.409 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001171725461 796705223 /nfs/dbraw/zinc/70/52/23/796705223.db2.gz LNECRDMADJNIRD-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812203 796758037 /nfs/dbraw/zinc/75/80/37/796758037.db2.gz LWRZGKXHUIELJB-MRXNPFEDSA-N 2 0 344.459 2.415 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078777720 796974918 /nfs/dbraw/zinc/97/49/18/796974918.db2.gz WPFAURWDXMMNJA-QZTJIDSGSA-N 2 0 331.504 2.311 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H]1C ZINC000993826446 797057425 /nfs/dbraw/zinc/05/74/25/797057425.db2.gz QCQAFYWIWKHAET-HOCLYGCPSA-N 2 0 332.448 2.039 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211889 797392818 /nfs/dbraw/zinc/39/28/18/797392818.db2.gz ZPOYJZACOBBDNB-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994462180 798043773 /nfs/dbraw/zinc/04/37/73/798043773.db2.gz KNRQMJRUEARQOJ-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994497147 798098507 /nfs/dbraw/zinc/09/85/07/798098507.db2.gz JTNDFPHDBUEAFR-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C[NH+](C)CCn1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cn1 ZINC001176443337 798451377 /nfs/dbraw/zinc/45/13/77/798451377.db2.gz LIVMZEUMIMDFBF-UHFFFAOYSA-N 2 0 330.461 2.109 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084862932 798510909 /nfs/dbraw/zinc/51/09/09/798510909.db2.gz LGOCADFWLQRGBF-SJLPKXTDSA-N 2 0 343.471 2.291 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002823928 798665211 /nfs/dbraw/zinc/66/52/11/798665211.db2.gz OOQICPRKUDTTNY-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001179461171 799934284 /nfs/dbraw/zinc/93/42/84/799934284.db2.gz DJBHTOSMLYEWAC-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085437191 800504638 /nfs/dbraw/zinc/50/46/38/800504638.db2.gz VOSPCXANOVAWMM-IAGOWNOFSA-N 2 0 331.460 2.385 20 30 EEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001181640794 800846535 /nfs/dbraw/zinc/84/65/35/800846535.db2.gz CJXPRHOJWAASAG-SOLBZPMBSA-N 2 0 327.488 2.317 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182000580 800992390 /nfs/dbraw/zinc/99/23/90/800992390.db2.gz DUOVFNMASVZZTC-QWFCFKBJSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC001182767962 801343394 /nfs/dbraw/zinc/34/33/94/801343394.db2.gz TULYQBVWSKQWHI-ZIFCJYIRSA-N 2 0 348.491 2.111 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004549154 802350852 /nfs/dbraw/zinc/35/08/52/802350852.db2.gz UVOQQEYRXKNFDG-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001169127938 803623953 /nfs/dbraw/zinc/62/39/53/803623953.db2.gz XVDPRIUOQFPRNO-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609769 810046306 /nfs/dbraw/zinc/04/63/06/810046306.db2.gz WXRIBIIJNGQOOY-YSIASYRMSA-N 2 0 339.483 2.078 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086620110 810657626 /nfs/dbraw/zinc/65/76/26/810657626.db2.gz YRPCADLKBVLOEA-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001442157370 1096413490 /nfs/dbraw/zinc/41/34/90/1096413490.db2.gz NJNFIPJLRAZCPR-AWEZNQCLSA-N 2 0 346.313 2.065 20 30 EEEDRP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001443891549 1098419989 /nfs/dbraw/zinc/41/99/89/1098419989.db2.gz ZOPFWZACQJQGSB-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001498152239 1106992495 /nfs/dbraw/zinc/99/24/95/1106992495.db2.gz WFLFAIKNDDLKQO-INIZCTEOSA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000131604023 237206618 /nfs/dbraw/zinc/20/66/18/237206618.db2.gz KUDDMUGAHDFRGJ-ZWKOTPCHSA-N 2 0 334.508 2.335 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000995213134 781963755 /nfs/dbraw/zinc/96/37/55/781963755.db2.gz PVDWWOCCCFHZAK-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000268621294 252075880 /nfs/dbraw/zinc/07/58/80/252075880.db2.gz YIXDXPJGSONTRL-HXUWFJFHSA-N 2 0 339.483 2.065 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000491623604 533099064 /nfs/dbraw/zinc/09/90/64/533099064.db2.gz FZAMARPYXHGOJF-UHFFFAOYSA-N 2 0 326.366 2.274 20 30 EEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286314659 266290652 /nfs/dbraw/zinc/29/06/52/266290652.db2.gz XHGXHUGPJYJVIR-FQEVSTJZSA-N 2 0 344.503 2.473 20 30 EEEDRP N#Cc1cnn2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cnc12 ZINC000564083480 319066034 /nfs/dbraw/zinc/06/60/34/319066034.db2.gz BRKFPDZPVJKMLG-UHFFFAOYSA-N 2 0 347.426 2.002 20 30 EEEDRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000064613969 462712375 /nfs/dbraw/zinc/71/23/75/462712375.db2.gz NINRRTFVJIVHCB-UHFFFAOYSA-N 2 0 349.475 2.436 20 30 EEEDRP C=CCC[C@@H](O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000268524266 463780185 /nfs/dbraw/zinc/78/01/85/463780185.db2.gz GOTKSHDAAVMGDN-GOSISDBHSA-N 2 0 347.503 2.076 20 30 EEEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261937454 463906189 /nfs/dbraw/zinc/90/61/89/463906189.db2.gz CSXZXGBFPUVKBN-DOTOQJQBSA-N 2 0 342.491 2.036 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cc(OC)ccc1OC ZINC000270473364 464257819 /nfs/dbraw/zinc/25/78/19/464257819.db2.gz ZRAFSXAXVZHLNP-MRXNPFEDSA-N 2 0 348.491 2.025 20 30 EEEDRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])NC2CCCCC2)cc1 ZINC000264319517 464294466 /nfs/dbraw/zinc/29/44/66/464294466.db2.gz XGROSUSQYPXGID-UHFFFAOYSA-N 2 0 332.492 2.407 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677327 464520468 /nfs/dbraw/zinc/52/04/68/464520468.db2.gz IEXSWCFECOXICN-AEFFLSMTSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000189947644 464568426 /nfs/dbraw/zinc/56/84/26/464568426.db2.gz UNWGBERJFWEFDD-HNNXBMFYSA-N 2 0 328.460 2.009 20 30 EEEDRP C=CCC[C@@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352715917 465550126 /nfs/dbraw/zinc/55/01/26/465550126.db2.gz QGSVFBVTZNLEAA-HXUWFJFHSA-N 2 0 331.504 2.063 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000417058137 466767705 /nfs/dbraw/zinc/76/77/05/466767705.db2.gz DQHGYRWONBYHDN-ROUUACIJSA-N 2 0 336.524 2.455 20 30 EEEDRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424153242 466992039 /nfs/dbraw/zinc/99/20/39/466992039.db2.gz JVTVZUNSRIATPI-MAUKXSAKSA-N 2 0 328.460 2.349 20 30 EEEDRP COc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000377620510 467098466 /nfs/dbraw/zinc/09/84/66/467098466.db2.gz DWCTWNVGBBMHQE-LJQANCHMSA-N 2 0 342.487 2.167 20 30 EEEDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1C#N)[NH+]1CCCCC1 ZINC000600734723 468641795 /nfs/dbraw/zinc/64/17/95/468641795.db2.gz KHWBGVHHJXSURJ-FUHWJXTLSA-N 2 0 331.460 2.152 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000558753981 468713837 /nfs/dbraw/zinc/71/38/37/468713837.db2.gz YBLVGUTZSHLJEJ-LMMKCTJWSA-N 2 0 345.487 2.256 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000598603971 468929420 /nfs/dbraw/zinc/92/94/20/468929420.db2.gz MCJMLRFYYVOLJV-SFHVURJKSA-N 2 0 337.508 2.112 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000598721118 468973917 /nfs/dbraw/zinc/97/39/17/468973917.db2.gz SLHPQFCULYMEST-MOPGFXCFSA-N 2 0 329.488 2.441 20 30 EEEDRP CC1(C)CC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595959306 469097080 /nfs/dbraw/zinc/09/70/80/469097080.db2.gz NKJJOAHYTDPLEG-GOSISDBHSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609133482 469894108 /nfs/dbraw/zinc/89/41/08/469894108.db2.gz MYEQHIZXLORUEI-APWZRJJASA-N 2 0 336.524 2.482 20 30 EEEDRP C=CC[C@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662858474 472281000 /nfs/dbraw/zinc/28/10/00/472281000.db2.gz IKSCCGNXMLUSOM-HXUWFJFHSA-N 2 0 342.487 2.108 20 30 EEEDRP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708765 527028732 /nfs/dbraw/zinc/02/87/32/527028732.db2.gz BZTFZGPRRVAQAL-KRWDZBQOSA-N 2 0 327.472 2.290 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365818 577291734 /nfs/dbraw/zinc/29/17/34/577291734.db2.gz UIZNYZKOOOCVLW-QGZVFWFLSA-N 2 0 329.492 2.355 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000767926545 577547367 /nfs/dbraw/zinc/54/73/67/577547367.db2.gz LPQJQUPOFVWKLH-VQTJNVASSA-N 2 0 328.456 2.166 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692304 676350441 /nfs/dbraw/zinc/35/04/41/676350441.db2.gz SZXYXRJKTAASGF-UXHICEINSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716990 676376019 /nfs/dbraw/zinc/37/60/19/676376019.db2.gz NCQMVYPOXNRJQM-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCC)CC[C@@H]32)CC1 ZINC001021740221 676399075 /nfs/dbraw/zinc/39/90/75/676399075.db2.gz RSPFTZCZPCSTRP-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891521409 676684386 /nfs/dbraw/zinc/68/43/86/676684386.db2.gz WVSIGOGEQGDNMC-IBGZPJMESA-N 2 0 342.487 2.041 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371315 679277723 /nfs/dbraw/zinc/27/77/23/679277723.db2.gz XMNUFZLYKJCJFZ-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414698 679298239 /nfs/dbraw/zinc/29/82/39/679298239.db2.gz YSBBDHVRRJGLAP-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001023761519 679566999 /nfs/dbraw/zinc/56/69/99/679566999.db2.gz BQWVJHGJLYHHRJ-GOSISDBHSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC3CC(C)C3)C2)CC1 ZINC001024277530 679861587 /nfs/dbraw/zinc/86/15/87/679861587.db2.gz RRWNOUZDAVXALX-JLAWEPINSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028600684 681346060 /nfs/dbraw/zinc/34/60/60/681346060.db2.gz BVSRDJMTVJSCPH-PMACEKPBSA-N 2 0 345.531 2.493 20 30 EEEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261967243 682679232 /nfs/dbraw/zinc/67/92/32/682679232.db2.gz LTQBQBWEOUOUIF-LJQANCHMSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557144 682995113 /nfs/dbraw/zinc/99/51/13/682995113.db2.gz FCLYREGYCCKEPT-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001026605185 684782117 /nfs/dbraw/zinc/78/21/17/684782117.db2.gz GKZJMTQWZMBSRX-LMDPOFIKSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598901 685114191 /nfs/dbraw/zinc/11/41/91/685114191.db2.gz KRIRMIGYLIMWJJ-SJORKVTESA-N 2 0 345.491 2.193 20 30 EEEDRP CC[C@@H]1CCCC[N@@H+]1CCNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C ZINC000262360191 685653180 /nfs/dbraw/zinc/65/31/80/685653180.db2.gz GPWPMCVLPVXLLE-TWMKSMIVSA-N 2 0 336.524 2.229 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262384852 685717161 /nfs/dbraw/zinc/71/71/61/685717161.db2.gz LDKFJVUPIOGLAH-KSZLIROESA-N 2 0 348.535 2.396 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000262452161 686120946 /nfs/dbraw/zinc/12/09/46/686120946.db2.gz WDCCQWAPLGDUHW-RCCFBDPRSA-N 2 0 348.535 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC(C)C2)CC1 ZINC001029596988 686467880 /nfs/dbraw/zinc/46/78/80/686467880.db2.gz FUOBIJLNIKZXOF-HCABLIJQSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985747052 687609239 /nfs/dbraw/zinc/60/92/39/687609239.db2.gz OQNBNBYUNIARBY-HXUWFJFHSA-N 2 0 327.472 2.019 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986354630 688504755 /nfs/dbraw/zinc/50/47/55/688504755.db2.gz KRNINLCMHCCXNG-KXBFYZLASA-N 2 0 340.471 2.122 20 30 EEEDRP CC[NH+]=C(NC[C@@H](C)N1CC[NH+](CC)CC1)N1CCc2ccccc21 ZINC000262946263 688756584 /nfs/dbraw/zinc/75/65/84/688756584.db2.gz AXQRCMVITDWMCA-QGZVFWFLSA-N 2 0 343.519 2.041 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989169688 691491273 /nfs/dbraw/zinc/49/12/73/691491273.db2.gz KQSBHLKDMRIASS-ZIAGYGMSSA-N 2 0 345.834 2.212 20 30 EEEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977449410 692634410 /nfs/dbraw/zinc/63/44/10/692634410.db2.gz JPRLCRZLIWJEMI-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027589528 693326801 /nfs/dbraw/zinc/32/68/01/693326801.db2.gz UVFZBSYAVPCDHJ-AQNXPRMDSA-N 2 0 341.499 2.441 20 30 EEEDRP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001481139907 1179901143 /nfs/dbraw/zinc/90/11/43/1179901143.db2.gz FXTGWCLVGHGCRE-FQEVSTJZSA-N 2 0 341.499 2.351 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482468261 1185970841 /nfs/dbraw/zinc/97/08/41/1185970841.db2.gz ABVJDLNZFCTRRA-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001088413102 1186824526 /nfs/dbraw/zinc/82/45/26/1186824526.db2.gz YEYYRURGSDCBJU-TZIWHRDSSA-N 2 0 341.499 2.457 20 30 EEEDRP N#Cc1ccc(C[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001168145913 1187023478 /nfs/dbraw/zinc/02/34/78/1187023478.db2.gz AYIULIKNKVYNGM-UHFFFAOYSA-N 2 0 346.500 2.092 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001105485732 1188102376 /nfs/dbraw/zinc/10/23/76/1188102376.db2.gz XBDRDQCASBETMM-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC)CCC2)CC1 ZINC001105579487 1188195354 /nfs/dbraw/zinc/19/53/54/1188195354.db2.gz PLMFFBZOAZQQCT-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168327068 1188295388 /nfs/dbraw/zinc/29/53/88/1188295388.db2.gz OJJZIBCXFSWOMW-UHFFFAOYSA-N 2 0 327.472 2.261 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335473 1188299033 /nfs/dbraw/zinc/29/90/33/1188299033.db2.gz KCVDPTRDALTTFU-SFHVURJKSA-N 2 0 333.520 2.396 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168353732 1188326922 /nfs/dbraw/zinc/32/69/22/1188326922.db2.gz RXJUUFUVNLDFCW-IBGZPJMESA-N 2 0 341.499 2.356 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086068 1188703215 /nfs/dbraw/zinc/70/32/15/1188703215.db2.gz NKOVOZQXUCYHIR-OTWHNJEPSA-N 2 0 331.504 2.360 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001486129143 1193689616 /nfs/dbraw/zinc/68/96/16/1193689616.db2.gz MMYRLVKGXGQIAK-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001486183354 1193723461 /nfs/dbraw/zinc/72/34/61/1193723461.db2.gz GSKMPHNDTQEVAV-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034045763 1195696970 /nfs/dbraw/zinc/69/69/70/1195696970.db2.gz MSVZGBOTQUFRMG-AFMYVXGZSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)CN1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034429715 1196212846 /nfs/dbraw/zinc/21/28/46/1196212846.db2.gz AGUYJKDHXZPQGS-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001034611225 1196433943 /nfs/dbraw/zinc/43/39/43/1196433943.db2.gz JCWJHRXCNWXKKE-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309968 1199559856 /nfs/dbraw/zinc/55/98/56/1199559856.db2.gz HIWHEVGOIWDEPE-DLBZAZTESA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950377 1200227186 /nfs/dbraw/zinc/22/71/86/1200227186.db2.gz MPIMCADMEACMTM-HOCLYGCPSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133065314 1200388496 /nfs/dbraw/zinc/38/84/96/1200388496.db2.gz XACCIJLJWZQARD-DZGCQCFKSA-N 2 0 327.900 2.155 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001133091781 1200434309 /nfs/dbraw/zinc/43/43/09/1200434309.db2.gz VOXKZEHUMLXDDV-QUCCMNQESA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165337 1200537682 /nfs/dbraw/zinc/53/76/82/1200537682.db2.gz FLUQNKZAWKEMEK-QFBILLFUSA-N 2 0 327.472 2.069 20 30 EEEDRP C[NH+](C)CCN1CCC2(C[NH+](Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001275368417 1205323079 /nfs/dbraw/zinc/32/30/79/1205323079.db2.gz UYVXDXFZPULMDZ-UHFFFAOYSA-N 2 0 337.471 2.109 20 30 EEEDRP C=CCn1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001275381679 1205331450 /nfs/dbraw/zinc/33/14/50/1205331450.db2.gz YYBFYLDUCHHEMW-UHFFFAOYSA-N 2 0 325.460 2.495 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435457 1209136896 /nfs/dbraw/zinc/13/68/96/1209136896.db2.gz LTMQFSYCBWGKNI-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948985471 1209489711 /nfs/dbraw/zinc/48/97/11/1209489711.db2.gz DZOJSGMJQDKHMQ-IEBWSBKVSA-N 2 0 327.472 2.230 20 30 EEEDRP C=CCN1CCOC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000949486722 1209710156 /nfs/dbraw/zinc/71/01/56/1209710156.db2.gz GOGIKOGFAYYYEL-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP CC(C)CNC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303877480 1213917218 /nfs/dbraw/zinc/91/72/18/1213917218.db2.gz FHUFKOHQHIOIJO-UHFFFAOYSA-N 2 0 331.508 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)CC[NH+](CC=C)CC3)CC1 ZINC000957647459 1215294668 /nfs/dbraw/zinc/29/46/68/1215294668.db2.gz IPXYHVGPKPZCCA-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP CC[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001276333409 1215753929 /nfs/dbraw/zinc/75/39/29/1215753929.db2.gz SCWMRCFBFBYNCH-SFHVURJKSA-N 2 0 349.906 2.470 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)CC1 ZINC000961027057 1217013051 /nfs/dbraw/zinc/01/30/51/1217013051.db2.gz LKJDVVLFTICPEJ-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961342221 1217150240 /nfs/dbraw/zinc/15/02/40/1217150240.db2.gz QHFFZURGNMHURB-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376786 1217164651 /nfs/dbraw/zinc/16/46/51/1217164651.db2.gz CYWFIMXYUIOQNH-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961401677 1217175887 /nfs/dbraw/zinc/17/58/87/1217175887.db2.gz NHQMCLMXTAFUBE-LJQANCHMSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961570413 1217226674 /nfs/dbraw/zinc/22/66/74/1217226674.db2.gz XAECJMFKRBMEIH-ZSYWTGECSA-N 2 0 331.504 2.406 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314934 1217506709 /nfs/dbraw/zinc/50/67/09/1217506709.db2.gz QIFHEYDBBVDMOU-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037856436 1219578947 /nfs/dbraw/zinc/57/89/47/1219578947.db2.gz ZAPPGZQKOLLMSF-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109082 1221816585 /nfs/dbraw/zinc/81/65/85/1221816585.db2.gz UKDHRLHMOBDBGD-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCC(=C)C)CC3)CC1 ZINC001016985980 1227014885 /nfs/dbraw/zinc/01/48/85/1227014885.db2.gz NUULTZDUKZMXLK-LJQANCHMSA-N 2 0 343.515 2.269 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039235621 1230468851 /nfs/dbraw/zinc/46/88/51/1230468851.db2.gz QQYXWKRDFBJPRE-ZWKOTPCHSA-N 2 0 342.487 2.343 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(=C)C)CC1 ZINC001040013982 1230964132 /nfs/dbraw/zinc/96/41/32/1230964132.db2.gz BHGOGBKWONKOLF-BGYRXZFFSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229065 1231116920 /nfs/dbraw/zinc/11/69/20/1231116920.db2.gz PEQPEWCOYGQXDU-LJQANCHMSA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464008 1231247344 /nfs/dbraw/zinc/24/73/44/1231247344.db2.gz KBQBHQLCVIFVFZ-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041335999 1231511230 /nfs/dbraw/zinc/51/12/30/1231511230.db2.gz GKTFFLQWSUUXRY-IBGZPJMESA-N 2 0 345.512 2.371 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001041356629 1231517812 /nfs/dbraw/zinc/51/78/12/1231517812.db2.gz AEGRTLYGWWOWBG-APWZRJJASA-N 2 0 328.460 2.261 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2)CC1 ZINC001045321413 1233667272 /nfs/dbraw/zinc/66/72/72/1233667272.db2.gz PAPYFGQOFJVNLN-FQEVSTJZSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980177 1234270199 /nfs/dbraw/zinc/27/01/99/1234270199.db2.gz SHFXRBZUCBISAI-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001047238297 1235720862 /nfs/dbraw/zinc/72/08/62/1235720862.db2.gz DTGCLOOVJFTUNY-VQTJNVASSA-N 2 0 345.531 2.465 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047240322 1235725536 /nfs/dbraw/zinc/72/55/36/1235725536.db2.gz ATWBUDRWZPOSDR-NZSAHSFTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047255814 1235758626 /nfs/dbraw/zinc/75/86/26/1235758626.db2.gz DONYQDCQAQYGOM-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C3CC[NH+](CC)CC3)C2)CC1 ZINC001047266218 1235780074 /nfs/dbraw/zinc/78/00/74/1235780074.db2.gz TVEHJDFRTLYPEU-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048536901 1237905968 /nfs/dbraw/zinc/90/59/68/1237905968.db2.gz FIPSGRUZAUMKSW-REPLKXPHSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545604 1237930302 /nfs/dbraw/zinc/93/03/02/1237930302.db2.gz FBEHAXWHRKGSAU-VBUUOAMHSA-N 2 0 336.439 2.330 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583660 1238023900 /nfs/dbraw/zinc/02/39/00/1238023900.db2.gz QDLWFSPQBPASBJ-QTMHVTGLSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818802 1238732521 /nfs/dbraw/zinc/73/25/21/1238732521.db2.gz NZNVPSMJFWFXBS-YRXWBPOGSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819528 1238735697 /nfs/dbraw/zinc/73/56/97/1238735697.db2.gz UUKIFVOXUUOMFI-MWDXBVQZSA-N 2 0 337.895 2.004 20 30 EEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC1 ZINC001000323806 1240171315 /nfs/dbraw/zinc/17/13/15/1240171315.db2.gz NLEFLVYQTWAOLV-IBGZPJMESA-N 2 0 331.504 2.409 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049719914 1241986651 /nfs/dbraw/zinc/98/66/51/1241986651.db2.gz PINVTAFRDWZQJO-MDZRGWNJSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050158220 1243005087 /nfs/dbraw/zinc/00/50/87/1243005087.db2.gz QGZIZEBAHYIGTG-CEXWTWQISA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764798 1244316949 /nfs/dbraw/zinc/31/69/49/1244316949.db2.gz HPXOOHDNYNLCML-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051307166 1245513409 /nfs/dbraw/zinc/51/34/09/1245513409.db2.gz PSYCSBIALZUHEF-GOSISDBHSA-N 2 0 327.472 2.189 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC001052957635 1245555168 /nfs/dbraw/zinc/55/51/68/1245555168.db2.gz IGGBCRLHWNYBFB-MSOLQXFVSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036615 1245735991 /nfs/dbraw/zinc/73/59/91/1245735991.db2.gz NRLJOUWDRKWQAN-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054228741 1247785045 /nfs/dbraw/zinc/78/50/45/1247785045.db2.gz YRQGGTBDESFBQQ-FUHWJXTLSA-N 2 0 339.911 2.395 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001071075805 1253938379 /nfs/dbraw/zinc/93/83/79/1253938379.db2.gz WCKZEZVHRLDCER-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001072080995 1254917412 /nfs/dbraw/zinc/91/74/12/1254917412.db2.gz FHWCSCDSTGPLBX-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](C)CC)CC1 ZINC001098461189 1257700013 /nfs/dbraw/zinc/70/00/13/1257700013.db2.gz SEGNIMTWDSDPGI-OWYHZJEWSA-N 2 0 331.504 2.099 20 30 EEEDRP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099527945 1258192352 /nfs/dbraw/zinc/19/23/52/1258192352.db2.gz FGOYMNISOGMPSA-FJIDUMEYSA-N 2 0 333.520 2.319 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001100830028 1259312600 /nfs/dbraw/zinc/31/26/00/1259312600.db2.gz YBLGLHYEAPKOLV-UHFFFAOYSA-N 2 0 345.462 2.003 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100889945 1259399020 /nfs/dbraw/zinc/39/90/20/1259399020.db2.gz DPWQLFJRXOOVTM-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001101059965 1259642915 /nfs/dbraw/zinc/64/29/15/1259642915.db2.gz DKSJQMCGCWJTCA-UHFFFAOYSA-N 2 0 331.460 2.243 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185740867 1278767855 /nfs/dbraw/zinc/76/78/55/1278767855.db2.gz FOTSHFAKQIZQIP-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201061837 1287259553 /nfs/dbraw/zinc/25/95/53/1287259553.db2.gz BNLSWOBBTKMJJB-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353810 1281946583 /nfs/dbraw/zinc/94/65/83/1281946583.db2.gz ICZNVCJKWVPZCH-QAPCUYQASA-N 2 0 325.472 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC3CC3)C2)CC1 ZINC001072095584 1295237129 /nfs/dbraw/zinc/23/71/29/1295237129.db2.gz KWCXXEHJCCDYDO-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593178 1296101683 /nfs/dbraw/zinc/10/16/83/1296101683.db2.gz OAHCAZLSNNJIOH-KURKYZTESA-N 2 0 339.524 2.134 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215001272 1296686519 /nfs/dbraw/zinc/68/65/19/1296686519.db2.gz BQACLLLXDUBRAC-DGCLKSJQSA-N 2 0 346.313 2.062 20 30 EEEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220663843 1298492424 /nfs/dbraw/zinc/49/24/24/1298492424.db2.gz PFQMNYVDGBKNOW-RDJZCZTQSA-N 2 0 333.476 2.488 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837818 1298711204 /nfs/dbraw/zinc/71/12/04/1298711204.db2.gz UWDXTCSSTFBYKB-LQWHRVPQSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099522213 1299183663 /nfs/dbraw/zinc/18/36/63/1299183663.db2.gz VJUKTGQQGMXANE-OKYOBFRVSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001223578409 1300180932 /nfs/dbraw/zinc/18/09/32/1300180932.db2.gz WPRTZZPEPCRZLX-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001276980244 1300643884 /nfs/dbraw/zinc/64/38/84/1300643884.db2.gz UUZOQGMZKIPCSZ-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(C#N)c1 ZINC001137704717 1314480827 /nfs/dbraw/zinc/48/08/27/1314480827.db2.gz RMHUKKXGQOETBO-UHFFFAOYSA-N 2 0 332.492 2.272 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103434174 1302956307 /nfs/dbraw/zinc/95/63/07/1302956307.db2.gz SGSWVEZQYGUSCZ-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001230101346 1303059019 /nfs/dbraw/zinc/05/90/19/1303059019.db2.gz JHAXIFYYWDNSBM-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC=C)CC1 ZINC001230251939 1303127849 /nfs/dbraw/zinc/12/78/49/1303127849.db2.gz RNHFTPAWJBKSJI-RTBURBONSA-N 2 0 331.504 2.315 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230279881 1303138911 /nfs/dbraw/zinc/13/89/11/1303138911.db2.gz JMKBAHVHUMBTEU-ZIAGYGMSSA-N 2 0 346.313 2.252 20 30 EEEDRP N#CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277941808 1305211299 /nfs/dbraw/zinc/21/12/99/1305211299.db2.gz VDPCHBQSCUGLRA-GOSISDBHSA-N 2 0 344.503 2.089 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001246303785 1310277147 /nfs/dbraw/zinc/27/71/47/1310277147.db2.gz APQPDTZYKNWBAJ-INIZCTEOSA-N 2 0 325.497 2.066 20 30 EEEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246619464 1310358626 /nfs/dbraw/zinc/35/86/26/1310358626.db2.gz RQQIVYYVSMFXDS-OMYXNUHHSA-N 2 0 338.499 2.416 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246642954 1310367689 /nfs/dbraw/zinc/36/76/89/1310367689.db2.gz NMJRNXFWLZFEGD-SOAGJPPSSA-N 2 0 342.462 2.167 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731528 1316355843 /nfs/dbraw/zinc/35/58/43/1316355843.db2.gz MBTRJUGHCGNWJC-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001151161854 1316463871 /nfs/dbraw/zinc/46/38/71/1316463871.db2.gz DCKRRFXNLVDJOJ-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001151161853 1316463988 /nfs/dbraw/zinc/46/39/88/1316463988.db2.gz DCKRRFXNLVDJOJ-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC001152334902 1316658240 /nfs/dbraw/zinc/65/82/40/1316658240.db2.gz VGVOFLARPHKPBK-UHFFFAOYSA-N 2 0 341.499 2.361 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001152474018 1316676880 /nfs/dbraw/zinc/67/68/80/1316676880.db2.gz YLFOEWQOLBYOPU-LJQANCHMSA-N 2 0 345.462 2.003 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451845 1316830899 /nfs/dbraw/zinc/83/08/99/1316830899.db2.gz LCULOPBPVJPYDG-CKEIUWERSA-N 2 0 348.516 2.287 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123376 1316964395 /nfs/dbraw/zinc/96/43/95/1316964395.db2.gz WVRAHKNAKKBYJG-QZTJIDSGSA-N 2 0 339.524 2.136 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001254345335 1318049547 /nfs/dbraw/zinc/04/95/47/1318049547.db2.gz XVVZIZMLZUXQAG-UHFFFAOYSA-N 2 0 330.451 2.106 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159328253 1319741066 /nfs/dbraw/zinc/74/10/66/1319741066.db2.gz RLEVJJWPDLOHJY-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP C[NH+]1CCN(c2ccc(NC=CC3CC[NH2+]CC3)cc2C#N)CC1 ZINC001159528435 1319860507 /nfs/dbraw/zinc/86/05/07/1319860507.db2.gz POROVHHLACURCP-RMKNXTFCSA-N 2 0 325.460 2.235 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688553 1320588349 /nfs/dbraw/zinc/58/83/49/1320588349.db2.gz MCRHVEBWGRIGLS-OAQYLSRUSA-N 2 0 339.483 2.235 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001163833445 1321229279 /nfs/dbraw/zinc/22/92/79/1321229279.db2.gz OOBCBFXFQREPFP-UHFFFAOYSA-N 2 0 334.489 2.090 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531826 1321409895 /nfs/dbraw/zinc/40/98/95/1321409895.db2.gz TXJIJSWLXZYCKU-JKSUJKDBSA-N 2 0 339.911 2.489 20 30 EEEDRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001165246928 1321482737 /nfs/dbraw/zinc/48/27/37/1321482737.db2.gz WJVXRPYKLPRTEV-UHFFFAOYSA-N 2 0 340.427 2.123 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203558080 1321912146 /nfs/dbraw/zinc/91/21/46/1321912146.db2.gz VPCLHRURBTYFFP-QZTJIDSGSA-N 2 0 331.504 2.147 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205428495 1323127892 /nfs/dbraw/zinc/12/78/92/1323127892.db2.gz CJPKJLFZTPAVDD-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205446140 1323138151 /nfs/dbraw/zinc/13/81/51/1323138151.db2.gz WIHLTGBFHCVBQK-ZWKOTPCHSA-N 2 0 333.451 2.238 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205449710 1323140630 /nfs/dbraw/zinc/14/06/30/1323140630.db2.gz WVQVGORXGNTVNK-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001205586187 1323206092 /nfs/dbraw/zinc/20/60/92/1323206092.db2.gz PNBAYPMJHHPHGI-UHFFFAOYSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCOCc2ccccc2)CC1 ZINC001207238358 1323911951 /nfs/dbraw/zinc/91/19/51/1323911951.db2.gz YXNWZHVQTKSBOR-UHFFFAOYSA-N 2 0 343.515 2.495 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784447 1324148405 /nfs/dbraw/zinc/14/84/05/1324148405.db2.gz KJHFWVPVPHGTDF-SJLPKXTDSA-N 2 0 330.476 2.311 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424470 1324490523 /nfs/dbraw/zinc/49/05/23/1324490523.db2.gz ZHFDENIMOJWXNC-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209232556 1324866643 /nfs/dbraw/zinc/86/66/43/1324866643.db2.gz KGXAAVZUJVRSKW-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210220736 1325205546 /nfs/dbraw/zinc/20/55/46/1325205546.db2.gz WJGYATFKWBXCRE-GOSISDBHSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001353584454 1338293089 /nfs/dbraw/zinc/29/30/89/1338293089.db2.gz WUBHGKVJBDBLGL-IBGZPJMESA-N 2 0 344.503 2.446 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704712 1338535960 /nfs/dbraw/zinc/53/59/60/1338535960.db2.gz PFNJBCYSPJNGGQ-SJLPKXTDSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[C@H](C(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001389350781 1388065668 /nfs/dbraw/zinc/06/56/68/1388065668.db2.gz GYWDLYCIVMFULC-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCCCC1 ZINC001115730178 1371698269 /nfs/dbraw/zinc/69/82/69/1371698269.db2.gz DLUJHGQOOJXUEX-UHFFFAOYSA-N 2 0 341.499 2.446 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729690 1371698727 /nfs/dbraw/zinc/69/87/27/1371698727.db2.gz PKLKWETVKMZDOP-LJQANCHMSA-N 2 0 337.483 2.241 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854413 1371928978 /nfs/dbraw/zinc/92/89/78/1371928978.db2.gz OIIKCOMRXIUZCT-UFQJCFOOSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001121908275 1371931601 /nfs/dbraw/zinc/93/16/01/1371931601.db2.gz ACTVNGYKLZPENQ-UHFFFAOYSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122063995 1371943242 /nfs/dbraw/zinc/94/32/42/1371943242.db2.gz SPOZYRHRFXVERQ-FKXCTXBZSA-N 2 0 331.504 2.147 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC001356545609 1373201540 /nfs/dbraw/zinc/20/15/40/1373201540.db2.gz YJGKINRQLHRUKS-SFHVURJKSA-N 2 0 331.460 2.154 20 30 EEEDRP C[NH+]=C(NCCc1ccc(OCC[NH+](C)C)cc1)NCc1ccco1 ZINC000849053287 1373202960 /nfs/dbraw/zinc/20/29/60/1373202960.db2.gz USHZOHXYXMGBQP-UHFFFAOYSA-N 2 0 344.459 2.128 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+]1CCCCC1 ZINC001367717405 1374241523 /nfs/dbraw/zinc/24/15/23/1374241523.db2.gz ZLURQCRCXFCLTN-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001369583824 1374579809 /nfs/dbraw/zinc/57/98/09/1374579809.db2.gz QNMBAUNMWWQIGV-UHFFFAOYSA-N 2 0 349.906 2.492 20 30 EEEDRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001373915543 1376569645 /nfs/dbraw/zinc/56/96/45/1376569645.db2.gz QTXZNHHFTTYUJY-CKEIUWERSA-N 2 0 348.516 2.477 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396017 1379204152 /nfs/dbraw/zinc/20/41/52/1379204152.db2.gz UJKQUHRUZJJKRL-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001378993012 1380360830 /nfs/dbraw/zinc/36/08/30/1380360830.db2.gz SAXXPWVPRQDMOH-SFHVURJKSA-N 2 0 342.487 2.130 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001379588980 1380770012 /nfs/dbraw/zinc/77/00/12/1380770012.db2.gz TUFAVXIHASSCCC-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001394810715 1390750030 /nfs/dbraw/zinc/75/00/30/1390750030.db2.gz LHGHCZGFSPYARU-MSOLQXFVSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001397724231 1391454135 /nfs/dbraw/zinc/45/41/35/1391454135.db2.gz HZEOCJTVXMZUIO-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCn3cncc3C2)cc1 ZINC001752985966 1406590071 /nfs/dbraw/zinc/59/00/71/1406590071.db2.gz QMCHRXNWFDUNML-GOSISDBHSA-N 2 0 338.455 2.080 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001492877993 1394346974 /nfs/dbraw/zinc/34/69/74/1394346974.db2.gz FLIAXPPJAYZKLP-GOSISDBHSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001753749311 1406772414 /nfs/dbraw/zinc/77/24/14/1406772414.db2.gz HSQDVPIVLSVOAN-LJQANCHMSA-N 2 0 333.520 2.395 20 30 EEEDRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001400813941 1396606991 /nfs/dbraw/zinc/60/69/91/1396606991.db2.gz OTLURTFAWMNTDD-INIZCTEOSA-N 2 0 346.450 2.166 20 30 EEEDRP C[N@H+](CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1)CC(C)(C)C ZINC001401968303 1397698611 /nfs/dbraw/zinc/69/86/11/1397698611.db2.gz VWQCNARKWYMDCN-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001402553020 1398054882 /nfs/dbraw/zinc/05/48/82/1398054882.db2.gz RSBQZYZCHXPMJW-HDJSIYSDSA-N 2 0 344.297 2.008 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001402683176 1398149863 /nfs/dbraw/zinc/14/98/63/1398149863.db2.gz DDNJPBDTFFSINJ-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577627630 1403665639 /nfs/dbraw/zinc/66/56/39/1403665639.db2.gz JYVIIWBWIRDSRL-QZTJIDSGSA-N 2 0 328.460 2.131 20 30 EEEDRP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001755490009 1407526702 /nfs/dbraw/zinc/52/67/02/1407526702.db2.gz IHBXESYASWVBHW-HKUYNNGSSA-N 2 0 327.472 2.007 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001755519999 1407578017 /nfs/dbraw/zinc/57/80/17/1407578017.db2.gz FXHZPVTVYFAVOO-INIZCTEOSA-N 2 0 340.471 2.029 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001755661616 1407711953 /nfs/dbraw/zinc/71/19/53/1407711953.db2.gz PAWWSYGKEOCTHI-QFBILLFUSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH2+][C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC001755725583 1407787163 /nfs/dbraw/zinc/78/71/63/1407787163.db2.gz ANLPHIQEDPWHLD-FQEVSTJZSA-N 2 0 341.499 2.059 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC001755852235 1407903960 /nfs/dbraw/zinc/90/39/60/1407903960.db2.gz QLLRKTZCVKPKHP-KBPBESRZSA-N 2 0 345.409 2.027 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001755869646 1407921886 /nfs/dbraw/zinc/92/18/86/1407921886.db2.gz MWFZIWQDAZFFFT-UHFFFAOYSA-N 2 0 331.504 2.247 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232692 757538089 /nfs/dbraw/zinc/53/80/89/757538089.db2.gz MMZRIQXSSMYEMH-LJQANCHMSA-N 2 0 337.483 2.098 20 30 EEEDRP C[C@H](C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001167610613 760727398 /nfs/dbraw/zinc/72/73/98/760727398.db2.gz UMRLKTIMZNFEEE-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098606779 765221912 /nfs/dbraw/zinc/22/19/12/765221912.db2.gz VKXWZIQJBHHPSY-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979712489 770928648 /nfs/dbraw/zinc/92/86/48/770928648.db2.gz MUFBCCJVTXLNPN-OTWHNJEPSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000995260541 782893960 /nfs/dbraw/zinc/89/39/60/782893960.db2.gz RQJNFAADRIWNDH-OALUTQOASA-N 2 0 342.487 2.012 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095495 782900638 /nfs/dbraw/zinc/90/06/38/782900638.db2.gz QNMLELLQLHQDRC-OWCLPIDISA-N 2 0 327.900 2.105 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660656 774045691 /nfs/dbraw/zinc/04/56/91/774045691.db2.gz NECKDECWRHKBSW-INIZCTEOSA-N 2 0 338.455 2.496 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(C)C)C[C@H]3C2)CC1 ZINC000980251731 774191473 /nfs/dbraw/zinc/19/14/73/774191473.db2.gz GCUIFWIAONSPQL-XUVXKRRUSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839276 777495737 /nfs/dbraw/zinc/49/57/37/777495737.db2.gz RWLGGQXHPJESDU-OBZTUIKSSA-N 2 0 348.450 2.140 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001089839481 777549691 /nfs/dbraw/zinc/54/96/91/777549691.db2.gz TZPQTEYGSUFSOU-QZHFEQFPSA-N 2 0 336.439 2.303 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839480 777550211 /nfs/dbraw/zinc/55/02/11/777550211.db2.gz TZPQTEYGSUFSOU-PIKADFDJSA-N 2 0 336.439 2.303 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(=C)Cl)C2)CC1 ZINC000981542432 777627547 /nfs/dbraw/zinc/62/75/47/777627547.db2.gz UONMIXPXYVITPX-SJORKVTESA-N 2 0 337.895 2.101 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089847745 777907476 /nfs/dbraw/zinc/90/74/76/777907476.db2.gz XKPGGMOLKYYABI-VJANTYMQSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981865671 778421981 /nfs/dbraw/zinc/42/19/81/778421981.db2.gz VHCNIDGFCVSHPU-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472914 778500210 /nfs/dbraw/zinc/50/02/10/778500210.db2.gz PNWGOTWWPFYVES-SESVDKBCSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]C)CC1 ZINC000261606270 779409443 /nfs/dbraw/zinc/40/94/43/779409443.db2.gz DPFYGZVFGQFWHM-RCCFBDPRSA-N 2 0 346.519 2.150 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394072 781771770 /nfs/dbraw/zinc/77/17/70/781771770.db2.gz NVUGAMZCWKSCNT-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001035051869 783657888 /nfs/dbraw/zinc/65/78/88/783657888.db2.gz SPCQQNQEMQFCLB-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001035051937 783658459 /nfs/dbraw/zinc/65/84/59/783658459.db2.gz ALWKRZABHULFPQ-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+](C)C ZINC001135372221 783662364 /nfs/dbraw/zinc/66/23/64/783662364.db2.gz OVVHDGVODRMXBC-ZIAGYGMSSA-N 2 0 334.439 2.022 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089893944 783785347 /nfs/dbraw/zinc/78/53/47/783785347.db2.gz QCYQNAOITAAUEY-RDGPPVDQSA-N 2 0 343.515 2.217 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237837 784158098 /nfs/dbraw/zinc/15/80/98/784158098.db2.gz WVKRFUGBNQUGBD-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244110 784174711 /nfs/dbraw/zinc/17/47/11/784174711.db2.gz IXCXNWBRJQPUIC-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939112 784831386 /nfs/dbraw/zinc/83/13/86/784831386.db2.gz UMLOMQCQLICLBZ-UONOGXRCSA-N 2 0 346.500 2.088 20 30 EEEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OC ZINC000817917808 785068787 /nfs/dbraw/zinc/06/87/87/785068787.db2.gz HXPOIHVDBKXUID-RKTXRCNFSA-N 2 0 347.459 2.218 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000996302212 786240357 /nfs/dbraw/zinc/24/03/57/786240357.db2.gz WWGUSVKKICDSLK-SFHVURJKSA-N 2 0 329.488 2.417 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593706 787805663 /nfs/dbraw/zinc/80/56/63/787805663.db2.gz SOLIFFPHFHAITO-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997086737 788746179 /nfs/dbraw/zinc/74/61/79/788746179.db2.gz VEUGRXWVHQONHV-IEBWSBKVSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997131665 789045154 /nfs/dbraw/zinc/04/51/54/789045154.db2.gz FPNKAQRKYRFGHM-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997188154 789387211 /nfs/dbraw/zinc/38/72/11/789387211.db2.gz YTIWSCRVZZQKHU-AWEZNQCLSA-N 2 0 346.500 2.042 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923388100 789484038 /nfs/dbraw/zinc/48/40/38/789484038.db2.gz NNXWHIGGLRCWNH-RTBURBONSA-N 2 0 343.471 2.010 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001171162379 789577596 /nfs/dbraw/zinc/57/75/96/789577596.db2.gz WLGHEVNNESKXHJ-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001091110031 789792215 /nfs/dbraw/zinc/79/22/15/789792215.db2.gz JZZCURBNTUTOMF-UHFFFAOYSA-N 2 0 332.835 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCC)CC2)CC1 ZINC000997434466 789904258 /nfs/dbraw/zinc/90/42/58/789904258.db2.gz OMNMWUHPLKSDMY-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846102850 790063112 /nfs/dbraw/zinc/06/31/12/790063112.db2.gz VHHRVRWRMNPZIY-MRXNPFEDSA-N 2 0 335.517 2.455 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001147347742 791792897 /nfs/dbraw/zinc/79/28/97/791792897.db2.gz CYSFOVQQJSJHKE-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001147567017 791885777 /nfs/dbraw/zinc/88/57/77/791885777.db2.gz TXXCOZWEQVVITB-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086938325 793023846 /nfs/dbraw/zinc/02/38/46/793023846.db2.gz NKUJFQFVAYQDDK-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956091 793097683 /nfs/dbraw/zinc/09/76/83/793097683.db2.gz DZIZYGBURXGTBL-CVEARBPZSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302904 793778991 /nfs/dbraw/zinc/77/89/91/793778991.db2.gz FFKRNLATXNKTTC-HBFSDRIKSA-N 2 0 333.520 2.463 20 30 EEEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980363 806315783 /nfs/dbraw/zinc/31/57/83/806315783.db2.gz MWJKPFYHNIOGPX-SQNIBIBYSA-N 2 0 339.524 2.257 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)CCC1 ZINC000999345881 794335378 /nfs/dbraw/zinc/33/53/78/794335378.db2.gz BMMYLEIGQQIMQS-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC000992515502 794470990 /nfs/dbraw/zinc/47/09/90/794470990.db2.gz ZEXGNIFBFFPLNY-FPOVZHCZSA-N 2 0 343.515 2.411 20 30 EEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999445319 794496852 /nfs/dbraw/zinc/49/68/52/794496852.db2.gz MFKRXZXLLXBTQT-TUNPWDSISA-N 2 0 341.499 2.487 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573759 794672104 /nfs/dbraw/zinc/67/21/04/794672104.db2.gz JTYARYXRJVOSOJ-HOTGVXAUSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093360735 795086975 /nfs/dbraw/zinc/08/69/75/795086975.db2.gz FGPAKTWWYYMBLY-RTBURBONSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700606 795119229 /nfs/dbraw/zinc/11/92/29/795119229.db2.gz FYYLCEQLNQQQBX-ZIFCJYIRSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574381 795862545 /nfs/dbraw/zinc/86/25/45/795862545.db2.gz HRNAVELCEIMQJY-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483887 796076357 /nfs/dbraw/zinc/07/63/57/796076357.db2.gz ADTDAAABLZMCFJ-RSPOEFSDSA-N 2 0 341.499 2.344 20 30 EEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993570483 796827959 /nfs/dbraw/zinc/82/79/59/796827959.db2.gz HNBSUIHCTZONJO-NVXWUHKLSA-N 2 0 339.443 2.426 20 30 EEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993570481 796828051 /nfs/dbraw/zinc/82/80/51/796828051.db2.gz HNBSUIHCTZONJO-DOTOQJQBSA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672978 796846941 /nfs/dbraw/zinc/84/69/41/796846941.db2.gz RFHFVOFOEWVKRW-QXAKKESOSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081672977 796847116 /nfs/dbraw/zinc/84/71/16/796847116.db2.gz RFHFVOFOEWVKRW-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108040920 797475636 /nfs/dbraw/zinc/47/56/36/797475636.db2.gz WQZAPVLUZNYBGS-IBGZPJMESA-N 2 0 342.443 2.040 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001112560788 806587178 /nfs/dbraw/zinc/58/71/78/806587178.db2.gz PKLGQJZSRZGRIR-ZJOUEHCJSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994482867 798078219 /nfs/dbraw/zinc/07/82/19/798078219.db2.gz FJEOFXSVEXKWAF-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112162 798354571 /nfs/dbraw/zinc/35/45/71/798354571.db2.gz NRHKWFFUUDGJHE-KRWDZBQOSA-N 2 0 333.520 2.396 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001176879524 798610608 /nfs/dbraw/zinc/61/06/08/798610608.db2.gz CZXGKPFRQYWBME-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(F)cc2C)CC1 ZINC001176925886 798630315 /nfs/dbraw/zinc/63/03/15/798630315.db2.gz DFLFTLPIPYFDTD-UHFFFAOYSA-N 2 0 345.462 2.075 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001176997745 798687306 /nfs/dbraw/zinc/68/73/06/798687306.db2.gz ZMKCLKRXCCKZQW-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001179461465 799935062 /nfs/dbraw/zinc/93/50/62/799935062.db2.gz LFPIVKXDPDRVOY-UHFFFAOYSA-N 2 0 330.476 2.276 20 30 EEEDRP C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC001180863515 800592233 /nfs/dbraw/zinc/59/22/33/800592233.db2.gz KVZJKURHCCDLIU-WBAXXEDZSA-N 2 0 328.460 2.107 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184700536 802134324 /nfs/dbraw/zinc/13/43/24/802134324.db2.gz DTGVYLBHSZSKQD-RDJZCZTQSA-N 2 0 338.455 2.354 20 30 EEEDRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001128552157 802962615 /nfs/dbraw/zinc/96/26/15/802962615.db2.gz KZPAMBIKPHXCST-UHFFFAOYSA-N 2 0 341.480 2.181 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001169941544 804227458 /nfs/dbraw/zinc/22/74/58/804227458.db2.gz YWJBZGDYUFVNAY-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733485 804419431 /nfs/dbraw/zinc/41/94/31/804419431.db2.gz QRUPKJNSMSDZQE-KSZLIROESA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001086609490 810021927 /nfs/dbraw/zinc/02/19/27/810021927.db2.gz JMJNCVBPLRFYAU-NZSAHSFTSA-N 2 0 327.472 2.098 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130710796 811958925 /nfs/dbraw/zinc/95/89/25/811958925.db2.gz FMMHZFBUPSCRQF-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)[NH+](C)C ZINC001436830872 1088442781 /nfs/dbraw/zinc/44/27/81/1088442781.db2.gz AMSIRKRBXASAFA-RBUKOAKNSA-N 2 0 342.487 2.129 20 30 EEEDRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001440368776 1093534944 /nfs/dbraw/zinc/53/49/44/1093534944.db2.gz PATWQXIJSWXGCZ-QGPMSJSTSA-N 2 0 346.450 2.022 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001448975507 1093978791 /nfs/dbraw/zinc/97/87/91/1093978791.db2.gz IFLNENKKYIAPAQ-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001441593120 1095428378 /nfs/dbraw/zinc/42/83/78/1095428378.db2.gz YYOAQEWCNDQHPI-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001446944662 1101633933 /nfs/dbraw/zinc/63/39/33/1101633933.db2.gz UCZYAHIKHDRRCM-LSDHHAIUSA-N 2 0 348.516 2.288 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001496908154 1101703940 /nfs/dbraw/zinc/70/39/40/1101703940.db2.gz XHNUGSACURVIIH-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001498493692 1107630126 /nfs/dbraw/zinc/63/01/26/1107630126.db2.gz YVOLICZUMZDNHM-HUUCEWRRSA-N 2 0 327.900 2.345 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003417 1113870993 /nfs/dbraw/zinc/87/09/93/1113870993.db2.gz RCDQXXRVKWQBMO-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001507287144 1115175100 /nfs/dbraw/zinc/17/51/00/1115175100.db2.gz DPZCHIFNLRZRFU-SJLPKXTDSA-N 2 0 349.906 2.492 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000491392451 246015986 /nfs/dbraw/zinc/01/59/86/246015986.db2.gz CBUSTCRSMXAFFO-SFHVURJKSA-N 2 0 341.455 2.356 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491619703 533163096 /nfs/dbraw/zinc/16/30/96/533163096.db2.gz MMODBIUPLDLZQJ-IEBWSBKVSA-N 2 0 327.472 2.016 20 30 EEEDRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000118868050 221199367 /nfs/dbraw/zinc/19/93/67/221199367.db2.gz OYYDLHLLTDZITI-IBGZPJMESA-N 2 0 340.471 2.327 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1 ZINC000058358044 279303056 /nfs/dbraw/zinc/30/30/56/279303056.db2.gz SUWLWYAMNWQTBB-GOSISDBHSA-N 2 0 328.460 2.046 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877493 462648903 /nfs/dbraw/zinc/64/89/03/462648903.db2.gz XERSNHUTYVWFRZ-KRWDZBQOSA-N 2 0 334.508 2.010 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491619706 468361326 /nfs/dbraw/zinc/36/13/26/468361326.db2.gz MMODBIUPLDLZQJ-MJGOQNOKSA-N 2 0 327.472 2.016 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223670 463555651 /nfs/dbraw/zinc/55/56/51/463555651.db2.gz QLDGTXRWSWHIMZ-SFHVURJKSA-N 2 0 343.475 2.438 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185885708 463898653 /nfs/dbraw/zinc/89/86/53/463898653.db2.gz NUIISCNAHIWOFJ-SJLPKXTDSA-N 2 0 328.460 2.150 20 30 EEEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1 ZINC000264064655 464278675 /nfs/dbraw/zinc/27/86/75/464278675.db2.gz DPGASSRQRXQWLN-UHFFFAOYSA-N 2 0 330.476 2.065 20 30 EEEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267326559 464926324 /nfs/dbraw/zinc/92/63/24/464926324.db2.gz QOZDFAKNNOTHDT-UHFFFAOYSA-N 2 0 343.519 2.320 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196111 465863876 /nfs/dbraw/zinc/86/38/76/465863876.db2.gz VQYKZECFQIQQHF-GOSISDBHSA-N 2 0 331.460 2.500 20 30 EEEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570874 468485005 /nfs/dbraw/zinc/48/50/05/468485005.db2.gz YMFARKQWEKWYKF-JXFKEZNVSA-N 2 0 349.482 2.470 20 30 EEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372706844 466547264 /nfs/dbraw/zinc/54/72/64/466547264.db2.gz QQXSMROWTAORBB-QHGAOEGBSA-N 2 0 326.488 2.226 20 30 EEEDRP C=CCCO[C@@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017814 466953516 /nfs/dbraw/zinc/95/35/16/466953516.db2.gz HOPLGIPYCCQOEY-KRWDZBQOSA-N 2 0 345.487 2.077 20 30 EEEDRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1 ZINC000424155578 466991518 /nfs/dbraw/zinc/99/15/18/466991518.db2.gz MXJWYWRTUOAQMZ-MSOLQXFVSA-N 2 0 328.460 2.269 20 30 EEEDRP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)C1=O ZINC000420316017 467352682 /nfs/dbraw/zinc/35/26/82/467352682.db2.gz SMOYHCXEDYMKLL-AABGKKOBSA-N 2 0 341.499 2.445 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1conc1C(C)(C)[NH3+])C(C)C ZINC000577963087 468194688 /nfs/dbraw/zinc/19/46/88/468194688.db2.gz OEVDWMRAXZWUCU-OAHLLOKOSA-N 2 0 334.464 2.297 20 30 EEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595337846 468816805 /nfs/dbraw/zinc/81/68/05/468816805.db2.gz LTIUKOCEFTWHIL-HXUWFJFHSA-N 2 0 326.488 2.201 20 30 EEEDRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595620637 468926718 /nfs/dbraw/zinc/92/67/18/468926718.db2.gz NYZHLJYYYRVIIQ-SJLPKXTDSA-N 2 0 328.460 2.031 20 30 EEEDRP N#CCN1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000609335094 469919380 /nfs/dbraw/zinc/91/93/80/469919380.db2.gz UCHLVHNYKFLTOE-UHFFFAOYSA-N 2 0 342.487 2.239 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000669385661 471471620 /nfs/dbraw/zinc/47/16/20/471471620.db2.gz NXAPNOCYYHSPNZ-FGTMMUONSA-N 2 0 334.508 2.078 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC1 ZINC000110487881 526933347 /nfs/dbraw/zinc/93/33/47/526933347.db2.gz PTZCDXCPYNCKDC-UHFFFAOYSA-N 2 0 343.471 2.301 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000104180768 528659839 /nfs/dbraw/zinc/65/98/39/528659839.db2.gz VTNQUGMZCBLJLT-HNNXBMFYSA-N 2 0 338.521 2.291 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039242867 676256347 /nfs/dbraw/zinc/25/63/47/676256347.db2.gz CUQVAQQTLVJGQP-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC=C)CC[C@@H]32)CC1 ZINC001021738667 676396878 /nfs/dbraw/zinc/39/68/78/676396878.db2.gz CNTWMWNLNNDCCI-PMACEKPBSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCF)CC[C@H]32)CC1 ZINC001021739131 676397091 /nfs/dbraw/zinc/39/70/91/676397091.db2.gz GRNSPINITHEWMH-RBUKOAKNSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC)CC[C@@H]32)CC1 ZINC001021740222 676399137 /nfs/dbraw/zinc/39/91/37/676399137.db2.gz RSPFTZCZPCSTRP-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000104169848 678005993 /nfs/dbraw/zinc/00/59/93/678005993.db2.gz IKUDYIKEDHJWFB-QGZVFWFLSA-N 2 0 325.545 2.133 20 30 EEEDRP CC[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)N1CCCC1 ZINC000262348436 679191206 /nfs/dbraw/zinc/19/12/06/679191206.db2.gz DRFOYLANQZDXJI-UHFFFAOYSA-N 2 0 336.524 2.471 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371314 679277685 /nfs/dbraw/zinc/27/76/85/679277685.db2.gz XMNUFZLYKJCJFZ-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763241 679567514 /nfs/dbraw/zinc/56/75/14/679567514.db2.gz GQHIDAMMGSIOLU-KRWDZBQOSA-N 2 0 327.472 2.213 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001024039511 679772619 /nfs/dbraw/zinc/77/26/19/679772619.db2.gz XSTGZAUOCBKDLT-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024478532 679951694 /nfs/dbraw/zinc/95/16/94/679951694.db2.gz SPRVEURRMPQDSJ-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259425 682338401 /nfs/dbraw/zinc/33/84/01/682338401.db2.gz NGFSZZLRQZPTHA-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025259421 682338521 /nfs/dbraw/zinc/33/85/21/682338521.db2.gz NGFSZZLRQZPTHA-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000170913510 682888157 /nfs/dbraw/zinc/88/81/57/682888157.db2.gz RKWLZAKKJLXSNE-HZPDHXFCSA-N 2 0 332.492 2.468 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596783 683077890 /nfs/dbraw/zinc/07/78/90/683077890.db2.gz HHZRMYMXAQEUIS-CVEARBPZSA-N 2 0 328.460 2.001 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631233 683169654 /nfs/dbraw/zinc/16/96/54/683169654.db2.gz YSGLFPNICKTMDZ-IAGOWNOFSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC000992931873 683662515 /nfs/dbraw/zinc/66/25/15/683662515.db2.gz XDYCNGUAWMTLCQ-MISYRCLQSA-N 2 0 339.483 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027693846 694000902 /nfs/dbraw/zinc/00/09/02/694000902.db2.gz KNMITSSHUJKWNM-AFMYVXGZSA-N 2 0 345.531 2.301 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CC(C)C)CC1 ZINC000262474357 686265851 /nfs/dbraw/zinc/26/58/51/686265851.db2.gz ZMHNAYDTUKUVJK-GVDBMIGSSA-N 2 0 336.524 2.085 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(NC2CC[NH+](C(C)C)CC2)=[NH+]C)C12CCC2 ZINC000262505766 686514959 /nfs/dbraw/zinc/51/49/59/686514959.db2.gz ZUZSMFQSODYHEC-DLBZAZTESA-N 2 0 336.524 2.372 20 30 EEEDRP CCc1cnc(CNC(=[NH+]C)N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000262815062 688537980 /nfs/dbraw/zinc/53/79/80/688537980.db2.gz VIUKNNTWKPMZBR-CQSZACIVSA-N 2 0 335.521 2.341 20 30 EEEDRP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752141031 1179310346 /nfs/dbraw/zinc/31/03/46/1179310346.db2.gz BXLUYKREYQHOQC-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112211091 1187079359 /nfs/dbraw/zinc/07/93/59/1187079359.db2.gz WJYSDJVZAWBYGL-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105437304 1187088364 /nfs/dbraw/zinc/08/83/64/1187088364.db2.gz VHYUWMIVLVSIQN-PUZFROQSSA-N 2 0 329.488 2.320 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001105479266 1188088444 /nfs/dbraw/zinc/08/84/44/1188088444.db2.gz XJMGZZVNHSHSJN-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001105481898 1188098619 /nfs/dbraw/zinc/09/86/19/1188098619.db2.gz KNKNHAATCJPZCP-ZJRDLVKKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)CCC1 ZINC001105575011 1188188963 /nfs/dbraw/zinc/18/89/63/1188188963.db2.gz OZSIOZGDVKVPQW-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168290484 1188253774 /nfs/dbraw/zinc/25/37/74/1188253774.db2.gz GBMSZYXHUVLOKG-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001168321140 1188290908 /nfs/dbraw/zinc/29/09/08/1188290908.db2.gz YWSVTLZEZIPJEN-UHFFFAOYSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484111190 1191217008 /nfs/dbraw/zinc/21/70/08/1191217008.db2.gz XHPPPELXQIXBGY-OAHLLOKOSA-N 2 0 346.313 2.065 20 30 EEEDRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001005177228 1194667053 /nfs/dbraw/zinc/66/70/53/1194667053.db2.gz BSMCIVNDUXERDE-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248827 1195982926 /nfs/dbraw/zinc/98/29/26/1195982926.db2.gz FYKZFLIYEPUYDB-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248905 1195983086 /nfs/dbraw/zinc/98/30/86/1195983086.db2.gz HEWVHHVJRSHNAM-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332334 1196102046 /nfs/dbraw/zinc/10/20/46/1196102046.db2.gz XTKLCJFKTGPLOB-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126517 1199334469 /nfs/dbraw/zinc/33/44/69/1199334469.db2.gz VPSICQCISBISOH-QRQLOZEOSA-N 2 0 329.488 2.392 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374903 1199636302 /nfs/dbraw/zinc/63/63/02/1199636302.db2.gz AOUBDKDRYQLTIW-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001132737471 1199965645 /nfs/dbraw/zinc/96/56/45/1199965645.db2.gz NGDNHMPZCJTTCB-INIZCTEOSA-N 2 0 346.450 2.025 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132832234 1200096061 /nfs/dbraw/zinc/09/60/61/1200096061.db2.gz UDQHPURSLULSST-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001133090924 1200432457 /nfs/dbraw/zinc/43/24/57/1200432457.db2.gz MJKVZEMXYNOJST-GJZGRUSLSA-N 2 0 348.516 2.146 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133359593 1200772026 /nfs/dbraw/zinc/77/20/26/1200772026.db2.gz IFFGWOBCRNQYSB-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001006408772 1202523362 /nfs/dbraw/zinc/52/33/62/1202523362.db2.gz VPBCBYWYTZSSDM-UHFFFAOYSA-N 2 0 340.471 2.077 20 30 EEEDRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NCCC(C)C)cc2)CC1 ZINC000104166022 1204611376 /nfs/dbraw/zinc/61/13/76/1204611376.db2.gz BWURHEQRHNIJDZ-UHFFFAOYSA-N 2 0 345.535 2.275 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(C#N)cc1 ZINC001274892544 1205202356 /nfs/dbraw/zinc/20/23/56/1205202356.db2.gz VAQPLLAYAXIIMF-BGYRXZFFSA-N 2 0 326.488 2.201 20 30 EEEDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC001275589725 1205433327 /nfs/dbraw/zinc/43/33/27/1205433327.db2.gz YOPLEHGHHFTLIF-IYBDPMFKSA-N 2 0 349.500 2.384 20 30 EEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275708437 1205493134 /nfs/dbraw/zinc/49/31/34/1205493134.db2.gz XFWTYECNGHGZTN-PKOBYXMFSA-N 2 0 329.488 2.319 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000778155898 1207734475 /nfs/dbraw/zinc/73/44/75/1207734475.db2.gz LUQJCXOMOPVBAO-UHFFFAOYSA-N 2 0 349.906 2.468 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056883 1208847132 /nfs/dbraw/zinc/84/71/32/1208847132.db2.gz NKEPJYHPBIYIFS-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948436607 1209137369 /nfs/dbraw/zinc/13/73/69/1209137369.db2.gz XSQRFFBXKOQDNR-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303902028 1213922548 /nfs/dbraw/zinc/92/25/48/1213922548.db2.gz SWNKJNBSRFQWLW-SJORKVTESA-N 2 0 325.545 2.132 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550030 1215202153 /nfs/dbraw/zinc/20/21/53/1215202153.db2.gz GOERBXFQRXQLGO-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957598762 1215244473 /nfs/dbraw/zinc/24/44/73/1215244473.db2.gz KQWLHGWJMYLTDH-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC3CCC(C)CC3)CC2)CC1 ZINC000957776656 1215421379 /nfs/dbraw/zinc/42/13/79/1215421379.db2.gz NOJFRTMIOSPTLM-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1cccc(Cl)c1 ZINC000304771365 1216105034 /nfs/dbraw/zinc/10/50/34/1216105034.db2.gz AAQPUYDKYYLAAZ-CVEARBPZSA-N 2 0 338.883 2.416 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1cccc(Cl)c1 ZINC000304771367 1216105454 /nfs/dbraw/zinc/10/54/54/1216105454.db2.gz AAQPUYDKYYLAAZ-HOTGVXAUSA-N 2 0 338.883 2.416 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960269635 1216461497 /nfs/dbraw/zinc/46/14/97/1216461497.db2.gz VUNLVWGCVORCHA-YCEFEEMOSA-N 2 0 327.472 2.275 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195410 1217081961 /nfs/dbraw/zinc/08/19/61/1217081961.db2.gz BNRCOVFGHGKZLR-ROUUACIJSA-N 2 0 336.439 2.142 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961202033 1217086513 /nfs/dbraw/zinc/08/65/13/1217086513.db2.gz PGSFFGSJSWWWIZ-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379026 1217166029 /nfs/dbraw/zinc/16/60/29/1217166029.db2.gz PPKRQVGMDIDABP-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411340 1217179926 /nfs/dbraw/zinc/17/99/26/1217179926.db2.gz LSVQDLHNSSXCKV-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961434856 1217188957 /nfs/dbraw/zinc/18/89/57/1217188957.db2.gz IVKCWZHPROJDEX-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360169 1217554864 /nfs/dbraw/zinc/55/48/64/1217554864.db2.gz KZWRCGOXCNPPKT-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360166 1217554984 /nfs/dbraw/zinc/55/49/84/1217554984.db2.gz KZWRCGOXCNPPKT-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381693 1217577787 /nfs/dbraw/zinc/57/77/87/1217577787.db2.gz BQDSZPIRLDEBNF-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000963808668 1218050475 /nfs/dbraw/zinc/05/04/75/1218050475.db2.gz NPWOMAUBNDRKQN-HVEGKCCWSA-N 2 0 337.895 2.098 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001007518406 1222273635 /nfs/dbraw/zinc/27/36/35/1222273635.db2.gz AIRNPJSIGHEXIK-ROUUACIJSA-N 2 0 345.512 2.235 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649703 1222345945 /nfs/dbraw/zinc/34/59/45/1222345945.db2.gz WXPFXSBEOPORCG-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001009626655 1223308398 /nfs/dbraw/zinc/30/83/98/1223308398.db2.gz JVNNQBJJJFTYHR-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702019 1226796678 /nfs/dbraw/zinc/79/66/78/1226796678.db2.gz HVQLBMBSHZQOEV-ROUUACIJSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860536 1226927830 /nfs/dbraw/zinc/92/78/30/1226927830.db2.gz IQNIYCJLPZTCSC-ZWKOTPCHSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001020251412 1229584023 /nfs/dbraw/zinc/58/40/23/1229584023.db2.gz LQGSWDVPXALJKM-AXUOBQJMSA-N 2 0 343.446 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2=CCCCC2)CC1 ZINC001039041304 1230257253 /nfs/dbraw/zinc/25/72/53/1230257253.db2.gz CBBHNWKDAKGUJM-LJQANCHMSA-N 2 0 329.488 2.023 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140402 1230355678 /nfs/dbraw/zinc/35/56/78/1230355678.db2.gz FYWPEXLULNCHTJ-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039172662 1230397668 /nfs/dbraw/zinc/39/76/68/1230397668.db2.gz AYHIIIGXKPCDDB-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039233240 1230465915 /nfs/dbraw/zinc/46/59/15/1230465915.db2.gz JJEUXDYOKCMTQZ-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001039249579 1230486185 /nfs/dbraw/zinc/48/61/85/1230486185.db2.gz CDFZPKSFDVLTPB-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC=C(C)C)CC1 ZINC001040014704 1230964325 /nfs/dbraw/zinc/96/43/25/1230964325.db2.gz RJDLBZUDHGILKY-BGYRXZFFSA-N 2 0 343.515 2.363 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208091 1231104139 /nfs/dbraw/zinc/10/41/39/1231104139.db2.gz IYTUGBGWGAUTIL-AZUAARDMSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699937 1231339947 /nfs/dbraw/zinc/33/99/47/1231339947.db2.gz FNTDYSGROFLSJK-OALUTQOASA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948341 1231408300 /nfs/dbraw/zinc/40/83/00/1231408300.db2.gz PBJPSUUDQGUVPU-HDICACEKSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432147 1231544824 /nfs/dbraw/zinc/54/48/24/1231544824.db2.gz OLUUBBGNEZOZKZ-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742795 1231670905 /nfs/dbraw/zinc/67/09/05/1231670905.db2.gz DZSVJLLRNPHIRN-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858035 1233321492 /nfs/dbraw/zinc/32/14/92/1233321492.db2.gz PJIIGPAZMUYBIJ-GJZGRUSLSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470554 1234840034 /nfs/dbraw/zinc/84/00/34/1234840034.db2.gz LNTDJTVHANKVFM-LJQANCHMSA-N 2 0 339.443 2.428 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001046950798 1235346257 /nfs/dbraw/zinc/34/62/57/1235346257.db2.gz LMCFAWYRZCLUJE-HOTGVXAUSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC=C(C)C)C3)CC1 ZINC001047209767 1235674017 /nfs/dbraw/zinc/67/40/17/1235674017.db2.gz WVFGKPLUBOGESX-SXLOBPIMSA-N 2 0 343.515 2.267 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047243973 1235735683 /nfs/dbraw/zinc/73/56/83/1235735683.db2.gz OILOQUFJGSJRES-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263222 1235772471 /nfs/dbraw/zinc/77/24/71/1235772471.db2.gz CBLUHLNCZGKWQM-AZUAARDMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048528341 1237873456 /nfs/dbraw/zinc/87/34/56/1237873456.db2.gz VALGBVCCKMJEFM-NQNKBUKLSA-N 2 0 339.911 2.438 20 30 EEEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048538747 1237912272 /nfs/dbraw/zinc/91/22/72/1237912272.db2.gz AOEGIISYWYYNEF-FCGDIQPGSA-N 2 0 331.504 2.099 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001002042 1241418711 /nfs/dbraw/zinc/41/87/11/1241418711.db2.gz OJRADPYZTBUKBJ-UHFFFAOYSA-N 2 0 339.483 2.176 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049826905 1242327700 /nfs/dbraw/zinc/32/77/00/1242327700.db2.gz IYSGDYGIUVKUIQ-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001073667490 1242624851 /nfs/dbraw/zinc/62/48/51/1242624851.db2.gz HSXIGENAJIHDLT-KRWDZBQOSA-N 2 0 342.443 2.040 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431189 1245814348 /nfs/dbraw/zinc/81/43/48/1245814348.db2.gz CDJYNLYYOQURAH-SCTDSRPQSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC001053106958 1245923834 /nfs/dbraw/zinc/92/38/34/1245923834.db2.gz XYPJDRDVOPMNOD-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054146788 1247524429 /nfs/dbraw/zinc/52/44/29/1247524429.db2.gz IPBFVYXEUUWVSB-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209729 1247725678 /nfs/dbraw/zinc/72/56/78/1247725678.db2.gz WKZUGDGJKOYBPE-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828681 1254690291 /nfs/dbraw/zinc/69/02/91/1254690291.db2.gz SIBQXQDAZMSEKQ-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317753 1258079175 /nfs/dbraw/zinc/07/91/75/1258079175.db2.gz ODASEMACJANBKF-KFWWJZLASA-N 2 0 347.425 2.414 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353626 1258095866 /nfs/dbraw/zinc/09/58/66/1258095866.db2.gz DQFZFTMZXWYLER-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773977 1278019446 /nfs/dbraw/zinc/01/94/46/1278019446.db2.gz SNZZBWJNYXVSFY-CHWSQXEVSA-N 2 0 348.329 2.498 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916667 1282235088 /nfs/dbraw/zinc/23/50/88/1282235088.db2.gz BKDITQFOHWNETK-ROUUACIJSA-N 2 0 339.524 2.088 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001193601114 1282630414 /nfs/dbraw/zinc/63/04/14/1282630414.db2.gz SIGSJUPFOIERGD-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001194285130 1282980026 /nfs/dbraw/zinc/98/00/26/1282980026.db2.gz PYHVJFSEXRWZHR-IBGZPJMESA-N 2 0 345.462 2.050 20 30 EEEDRP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCCC#N)C2=O ZINC001273712152 1283904562 /nfs/dbraw/zinc/90/45/62/1283904562.db2.gz PYBGTIJPSXJMDX-HXUWFJFHSA-N 2 0 340.471 2.232 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392262 1284955476 /nfs/dbraw/zinc/95/54/76/1284955476.db2.gz KJSGKCLGMBFXSY-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1OC ZINC001198902095 1285402620 /nfs/dbraw/zinc/40/26/20/1285402620.db2.gz DOMYQPBKUGTUSM-SJLPKXTDSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885662 1285412989 /nfs/dbraw/zinc/41/29/89/1285412989.db2.gz NYRNQDLLBOSBNX-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000105450852 1286395448 /nfs/dbraw/zinc/39/54/48/1286395448.db2.gz HMVRTCYOZUXMDM-KRWDZBQOSA-N 2 0 344.503 2.341 20 30 EEEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000852100413 1291992963 /nfs/dbraw/zinc/99/29/63/1291992963.db2.gz XKFRZHIIVOHRAL-HXUWFJFHSA-N 2 0 327.472 2.290 20 30 EEEDRP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852102534 1291993910 /nfs/dbraw/zinc/99/39/10/1291993910.db2.gz YUSFHQRABTWOPC-XKGZKEIXSA-N 2 0 327.472 2.157 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746919 1294131379 /nfs/dbraw/zinc/13/13/79/1294131379.db2.gz GXYUDLCXKASEFP-KURKYZTESA-N 2 0 328.460 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC(C)C)C2)CC1 ZINC001072095700 1295237317 /nfs/dbraw/zinc/23/73/17/1295237317.db2.gz MXGQQJYSDQLOKS-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353859 1299076707 /nfs/dbraw/zinc/07/67/07/1299076707.db2.gz HSANMADTYKWVLD-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC#CC[NH+](C)C ZINC001226903834 1301603025 /nfs/dbraw/zinc/60/30/25/1301603025.db2.gz YTZHEGMNXTTYOF-IBGZPJMESA-N 2 0 344.503 2.007 20 30 EEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454008 1301835041 /nfs/dbraw/zinc/83/50/41/1301835041.db2.gz LPCJXYKLEHLFNI-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001228262429 1302179894 /nfs/dbraw/zinc/17/98/94/1302179894.db2.gz TXUAOGMMTKFKJC-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001228611158 1302337190 /nfs/dbraw/zinc/33/71/90/1302337190.db2.gz SXIFVVKEZUJTCD-WOJBJXKFSA-N 2 0 341.499 2.445 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001229463165 1302793504 /nfs/dbraw/zinc/79/35/04/1302793504.db2.gz ZRUOIMXLRUFIHE-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[C@H](C(=O)N1CCC([N@H+](C)CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001277411300 1302919469 /nfs/dbraw/zinc/91/94/69/1302919469.db2.gz JXPSEJFJHMQHBT-HXUWFJFHSA-N 2 0 341.499 2.301 20 30 EEEDRP N#Cc1cc(-c2ccc(OCC[NH+]3CCCC3)nn2)cc(C2C[NH2+]C2)c1 ZINC001240343240 1309309073 /nfs/dbraw/zinc/30/90/73/1309309073.db2.gz KKPSZRKXIQXZKM-UHFFFAOYSA-N 2 0 349.438 2.177 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448715 1309546316 /nfs/dbraw/zinc/54/63/16/1309546316.db2.gz DXIUSZMLEUAAMT-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121246445 1309957689 /nfs/dbraw/zinc/95/76/89/1309957689.db2.gz QCTWURKQKUUGHQ-LETWWHAPSA-N 2 0 325.884 2.096 20 30 EEEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246023543 1310212739 /nfs/dbraw/zinc/21/27/39/1310212739.db2.gz CVMVQXPJGVJPDF-QRVBRYPASA-N 2 0 326.525 2.392 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139705776 1314762641 /nfs/dbraw/zinc/76/26/41/1314762641.db2.gz ZWUOOKJTMMMUPB-RBUKOAKNSA-N 2 0 337.471 2.250 20 30 EEEDRP N#Cc1c(N[C@@H]2C[NH2+]Cc3ccsc32)ncc2c1CCC[NH2+]C2 ZINC001155559891 1317652512 /nfs/dbraw/zinc/65/25/12/1317652512.db2.gz REVZLFKULHMGKH-OAHLLOKOSA-N 2 0 325.441 2.307 20 30 EEEDRP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001253576720 1317885376 /nfs/dbraw/zinc/88/53/76/1317885376.db2.gz HEMUMNSFFDYSPK-MOPGFXCFSA-N 2 0 330.472 2.289 20 30 EEEDRP CC[C@H](CC#N)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171800 1318311838 /nfs/dbraw/zinc/31/18/38/1318311838.db2.gz BCOSZAJNGMUYPU-GUDVDZBRSA-N 2 0 328.460 2.297 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137637 1318430338 /nfs/dbraw/zinc/43/03/38/1318430338.db2.gz AOHSCQHMWHIQPT-QGZVFWFLSA-N 2 0 347.503 2.391 20 30 EEEDRP N#Cc1c2c(cnc1N1CCCC[C@]13CCC[NH2+]C3)C[NH2+]CCC2 ZINC001157468540 1318661004 /nfs/dbraw/zinc/66/10/04/1318661004.db2.gz QHKSXSSMOVMUPT-LJQANCHMSA-N 2 0 325.460 2.102 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155464 1320086103 /nfs/dbraw/zinc/08/61/03/1320086103.db2.gz GPFPUUKHTPXYEC-LJQANCHMSA-N 2 0 331.504 2.433 20 30 EEEDRP N#Cc1cc(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc(C2C[NH2+]C2)c1 ZINC001160394218 1320153590 /nfs/dbraw/zinc/15/35/90/1320153590.db2.gz GBNUSMWACWAWNI-LPHOPBHVSA-N 2 0 332.407 2.436 20 30 EEEDRP N#Cc1ccc(CC2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2)cc1 ZINC001160568246 1320200821 /nfs/dbraw/zinc/20/08/21/1320200821.db2.gz BPVXYOKNJSYNEU-IBGZPJMESA-N 2 0 342.487 2.186 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001160883602 1320305267 /nfs/dbraw/zinc/30/52/67/1320305267.db2.gz OZYLFABQIVINIL-QGZVFWFLSA-N 2 0 335.879 2.128 20 30 EEEDRP C=CCCOc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161449570 1320504496 /nfs/dbraw/zinc/50/44/96/1320504496.db2.gz OLPPSBOFRULOLY-GOSISDBHSA-N 2 0 345.487 2.397 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161937712 1320684181 /nfs/dbraw/zinc/68/41/81/1320684181.db2.gz FNIBTMIOHDPBAD-UHFFFAOYSA-N 2 0 349.519 2.203 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCCC)CC2)CC1 ZINC001161946893 1320689836 /nfs/dbraw/zinc/68/98/36/1320689836.db2.gz KWNKFEMSWKVPLS-UHFFFAOYSA-N 2 0 331.504 2.270 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)(COC)CC1 ZINC001162618037 1320913458 /nfs/dbraw/zinc/91/34/58/1320913458.db2.gz UFHBVKZDPRFYFP-UHFFFAOYSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162816705 1320966813 /nfs/dbraw/zinc/96/68/13/1320966813.db2.gz CDYOZAYELWPGRI-IEBWSBKVSA-N 2 0 329.488 2.174 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001162826510 1320969176 /nfs/dbraw/zinc/96/91/76/1320969176.db2.gz FRIDLNUJSHTCAC-HXUWFJFHSA-N 2 0 341.499 2.155 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001162982838 1321004592 /nfs/dbraw/zinc/00/45/92/1321004592.db2.gz REHBWHUGWXLXPB-FQEVSTJZSA-N 2 0 341.499 2.012 20 30 EEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203615402 1321923592 /nfs/dbraw/zinc/92/35/92/1321923592.db2.gz OHHGTTMHYHYTQD-IAGOWNOFSA-N 2 0 328.460 2.354 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547999 1323529837 /nfs/dbraw/zinc/52/98/37/1323529837.db2.gz MIKXEEMQEWDUHY-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107319 1324319412 /nfs/dbraw/zinc/31/94/12/1324319412.db2.gz REKPFBDCMZDUFE-QGZVFWFLSA-N 2 0 332.492 2.254 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208453789 1324505574 /nfs/dbraw/zinc/50/55/74/1324505574.db2.gz OBTALNYCZYROMY-LJQANCHMSA-N 2 0 341.499 2.349 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208771074 1324659386 /nfs/dbraw/zinc/65/93/86/1324659386.db2.gz VUDATXGWSVFWFM-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001209313608 1324898484 /nfs/dbraw/zinc/89/84/84/1324898484.db2.gz FLYYDZIXQBSYHI-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC001338488015 1336867666 /nfs/dbraw/zinc/86/76/66/1336867666.db2.gz IQBHRCJJSBRXFH-FQEVSTJZSA-N 2 0 338.451 2.248 20 30 EEEDRP C=CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001574953436 1343713944 /nfs/dbraw/zinc/71/39/44/1343713944.db2.gz BQFWGSJCJYIJBO-IRXDYDNUSA-N 2 0 344.507 2.201 20 30 EEEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239053 1374141136 /nfs/dbraw/zinc/14/11/36/1374141136.db2.gz DNMAFUICRBLGQK-PBHICJAKSA-N 2 0 348.516 2.334 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001367518841 1374193394 /nfs/dbraw/zinc/19/33/94/1374193394.db2.gz OLHWNMFNYMYJJE-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[N@H+](CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001367904207 1374303253 /nfs/dbraw/zinc/30/32/53/1374303253.db2.gz SLTCSXRCSHDBPY-LJQANCHMSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001371466342 1375464157 /nfs/dbraw/zinc/46/41/57/1375464157.db2.gz PNJPPKZTLGROHU-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001390055135 1388421566 /nfs/dbraw/zinc/42/15/66/1388421566.db2.gz DJMNDYCNKJQHBY-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001375551735 1377841098 /nfs/dbraw/zinc/84/10/98/1377841098.db2.gz WAWYGFXOTLUNDU-ZVZYQTTQSA-N 2 0 346.450 2.022 20 30 EEEDRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399243 1379207039 /nfs/dbraw/zinc/20/70/39/1379207039.db2.gz BELWUMYBSGKSTM-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(C#N)c1)C1CCC1 ZINC001377399248 1379207237 /nfs/dbraw/zinc/20/72/37/1379207237.db2.gz BELWUMYBSGKSTM-LJQANCHMSA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001377488494 1379288156 /nfs/dbraw/zinc/28/81/56/1379288156.db2.gz JTMHENHVDSDMET-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001378319086 1379861663 /nfs/dbraw/zinc/86/16/63/1379861663.db2.gz IWMNIEZCTOSOBV-SJLPKXTDSA-N 2 0 348.466 2.268 20 30 EEEDRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323554 1379865387 /nfs/dbraw/zinc/86/53/87/1379865387.db2.gz YQVMYXTTXGKDQN-ROUUACIJSA-N 2 0 330.476 2.129 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001378611872 1380104590 /nfs/dbraw/zinc/10/45/90/1380104590.db2.gz KBQVJDWQUVBCLF-KSSFIOAISA-N 2 0 348.466 2.125 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001393607129 1390491777 /nfs/dbraw/zinc/49/17/77/1390491777.db2.gz RUYNJHBWEUPJJN-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001398404329 1392468584 /nfs/dbraw/zinc/46/85/84/1392468584.db2.gz KPTSWZOCHMCKPV-IBGZPJMESA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001752962926 1406583837 /nfs/dbraw/zinc/58/38/37/1406583837.db2.gz JFIXAYCYMWMTPR-SFHVURJKSA-N 2 0 333.520 2.206 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001399723711 1395442445 /nfs/dbraw/zinc/44/24/45/1395442445.db2.gz NHJKGXDUXPHCKS-SFHVURJKSA-N 2 0 330.476 2.083 20 30 EEEDRP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001423128576 1400438837 /nfs/dbraw/zinc/43/88/37/1400438837.db2.gz MFMZTHPHAGBMAM-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCN1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001755102216 1407115518 /nfs/dbraw/zinc/11/55/18/1407115518.db2.gz MKHPEIZHBKTFBK-LJQANCHMSA-N 2 0 327.472 2.372 20 30 EEEDRP C#CCN1Cc2ccc(CNC(=O)[C@H](CC)[NH+](CC)CC)cc2C1 ZINC001755102215 1407115767 /nfs/dbraw/zinc/11/57/67/1407115767.db2.gz MKHPEIZHBKTFBK-IBGZPJMESA-N 2 0 327.472 2.372 20 30 EEEDRP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755506914 1407554298 /nfs/dbraw/zinc/55/42/98/1407554298.db2.gz MEFYZVHNNDBMPW-UYAOXDASSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001111935477 1410869474 /nfs/dbraw/zinc/86/94/74/1410869474.db2.gz OIOGBPSOQZUJQQ-ICSRJNTNSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942444863 782442042 /nfs/dbraw/zinc/44/20/42/782442042.db2.gz QRNJBCIALURAFS-NVXWUHKLSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942444867 782442399 /nfs/dbraw/zinc/44/23/99/782442399.db2.gz QRNJBCIALURAFS-WBVHZDCISA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473061 769617399 /nfs/dbraw/zinc/61/73/99/769617399.db2.gz QSMKNSLHIILPLL-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099340048 769639599 /nfs/dbraw/zinc/63/95/99/769639599.db2.gz OGAIJINASFJEFF-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563711 770399788 /nfs/dbraw/zinc/39/97/88/770399788.db2.gz SCZCPMRLNYHYBP-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107313 782921780 /nfs/dbraw/zinc/92/17/80/782921780.db2.gz RFFOUVYRBYXBIE-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112182022 783124063 /nfs/dbraw/zinc/12/40/63/783124063.db2.gz JYALXSAGOXBWNW-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980167634 773993625 /nfs/dbraw/zinc/99/36/25/773993625.db2.gz FLKHOGPBVKXJDG-RCCFBDPRSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767124 778165080 /nfs/dbraw/zinc/16/50/80/778165080.db2.gz JDSGBKNJLWGUBK-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071659 779055992 /nfs/dbraw/zinc/05/59/92/779055992.db2.gz PACNGFBONPAWOE-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C/C=C\Cl)C3)CC1 ZINC000982162158 779180768 /nfs/dbraw/zinc/18/07/68/779180768.db2.gz LCHRUQUZQKJXJZ-YWEYNIOJSA-N 2 0 349.906 2.009 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982305955 779655842 /nfs/dbraw/zinc/65/58/42/779655842.db2.gz BINWZNCYQGANBK-LFGUQSLTSA-N 2 0 331.504 2.360 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2ccccc2C#N)CCCCC1 ZINC001131798916 783255957 /nfs/dbraw/zinc/25/59/57/783255957.db2.gz DHSAZBNSWZJNIL-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCC[NH+](C)C ZINC001135314492 783596266 /nfs/dbraw/zinc/59/62/66/783596266.db2.gz BTHAYFHLZCMTOO-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035102577 783731354 /nfs/dbraw/zinc/73/13/54/783731354.db2.gz OONCTEGHFDOBPY-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170843063 784253193 /nfs/dbraw/zinc/25/31/93/784253193.db2.gz YTCUFQBTNXJEGX-KRWDZBQOSA-N 2 0 349.523 2.289 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135742921 784349657 /nfs/dbraw/zinc/34/96/57/784349657.db2.gz AWIGWLDJMPPNPS-ROUUACIJSA-N 2 0 329.488 2.253 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135744330 784354018 /nfs/dbraw/zinc/35/40/18/784354018.db2.gz ZQUNDQCVXSXBIW-ZIAGYGMSSA-N 2 0 336.505 2.334 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086766846 784414768 /nfs/dbraw/zinc/41/47/68/784414768.db2.gz LSVAFQLTWKIBLM-FUHWJXTLSA-N 2 0 329.488 2.465 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135858087 784641226 /nfs/dbraw/zinc/64/12/26/784641226.db2.gz SGFWSEGWPBMIGM-DLBZAZTESA-N 2 0 347.478 2.392 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135882298 784668068 /nfs/dbraw/zinc/66/80/68/784668068.db2.gz KHPYJBOSJGMGBZ-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C[NH2+]Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC001171274949 791135241 /nfs/dbraw/zinc/13/52/41/791135241.db2.gz KVKJNFJJTWVKDK-UHFFFAOYSA-N 2 0 336.443 2.166 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001036082228 785783530 /nfs/dbraw/zinc/78/35/30/785783530.db2.gz GUEBOORVHHTVCI-GDBMZVCRSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001036126106 785828649 /nfs/dbraw/zinc/82/86/49/785828649.db2.gz DPEXVUFOWVCJPB-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036210097 785999763 /nfs/dbraw/zinc/99/97/63/785999763.db2.gz NPIXBQFYSFMDJA-CJNGLKHVSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565162 805687643 /nfs/dbraw/zinc/68/76/43/805687643.db2.gz CTABMMRFMAQPGB-SQNIBIBYSA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911752552 787688948 /nfs/dbraw/zinc/68/89/48/787688948.db2.gz WHWQXOOAUHJNOZ-HOCLYGCPSA-N 2 0 345.443 2.218 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)CNC(NC(C)(C)C)=[NH+]CC(C)C)CC1 ZINC000912509666 788215817 /nfs/dbraw/zinc/21/58/17/788215817.db2.gz OBLXZYIGKBEKAT-INIZCTEOSA-N 2 0 325.545 2.002 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CC3CCC3)CC2)CC1 ZINC000997433703 789903467 /nfs/dbraw/zinc/90/34/67/789903467.db2.gz IZSZMDGEFRMTIJ-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997827469 791237396 /nfs/dbraw/zinc/23/73/96/791237396.db2.gz AMBPPTNXPMMEJY-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC001088945172 791686911 /nfs/dbraw/zinc/68/69/11/791686911.db2.gz UAJRMGUUOXNXIF-PBHICJAKSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000998044358 791880382 /nfs/dbraw/zinc/88/03/82/791880382.db2.gz GQFGWHISBYSEJT-ZWKOTPCHSA-N 2 0 342.487 2.172 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998284430 792463881 /nfs/dbraw/zinc/46/38/81/792463881.db2.gz GWNBDKQXQPDHFY-LSDHHAIUSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC/C=C/CC)C3)CC1 ZINC001148827996 792703584 /nfs/dbraw/zinc/70/35/84/792703584.db2.gz VXYJBVWEEDSSMT-AATRIKPKSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921378 792985877 /nfs/dbraw/zinc/98/58/77/792985877.db2.gz NYIBGVAQSHHNKV-MSOLQXFVSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC=C)CC3)CC1 ZINC001086958016 793102808 /nfs/dbraw/zinc/10/28/08/793102808.db2.gz BICXJXGQPYOTBP-SFHVURJKSA-N 2 0 343.515 2.221 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1 ZINC001109928003 806226900 /nfs/dbraw/zinc/22/69/00/806226900.db2.gz CBAMBZLZGRMOCE-COXVUDFISA-N 2 0 346.500 2.183 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992316028 793642090 /nfs/dbraw/zinc/64/20/90/793642090.db2.gz LSCCSBCTEABLPB-CTNGQTDRSA-N 2 0 339.483 2.498 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992400448 793964697 /nfs/dbraw/zinc/96/46/97/793964697.db2.gz DQLCHFIMNDAPSW-UYAOXDASSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992409716 793995116 /nfs/dbraw/zinc/99/51/16/793995116.db2.gz UDKAKDBSIXEMON-CTNGQTDRSA-N 2 0 343.515 2.245 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540317 794136740 /nfs/dbraw/zinc/13/67/40/794136740.db2.gz PVOVFLGDPHIHSZ-ZVDOUQERSA-N 2 0 345.531 2.491 20 30 EEEDRP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@H](C[NH+]3CCCC3)C2)C12CCC2 ZINC000151943454 794329319 /nfs/dbraw/zinc/32/93/19/794329319.db2.gz ANVSGUIQAANCTN-FGTMMUONSA-N 2 0 348.535 2.327 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000999366396 794368078 /nfs/dbraw/zinc/36/80/78/794368078.db2.gz XZYCGUSFWJVAFH-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079174802 794410246 /nfs/dbraw/zinc/41/02/46/794410246.db2.gz IBPHSQZNZFVCPV-OTWHNJEPSA-N 2 0 345.462 2.380 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093360734 795087219 /nfs/dbraw/zinc/08/72/19/795087219.db2.gz FGPAKTWWYYMBLY-RBUKOAKNSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001093378457 795114966 /nfs/dbraw/zinc/11/49/66/795114966.db2.gz OHWOZWXSAYJZET-YLJYHZDGSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCO2 ZINC001093404158 795141060 /nfs/dbraw/zinc/14/10/60/795141060.db2.gz SRXHLCKVYFRBPJ-VWYCLODISA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001079735675 795151063 /nfs/dbraw/zinc/15/10/63/795151063.db2.gz AUGKOOBDDSPPAE-ZTFGCOKTSA-N 2 0 345.491 2.193 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820038 795287466 /nfs/dbraw/zinc/28/74/66/795287466.db2.gz BPRRWMBKSUHBFJ-JKSUJKDBSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089947792 795311315 /nfs/dbraw/zinc/31/13/15/795311315.db2.gz OEFGRISVLKRQJF-QGZVFWFLSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842386 795425429 /nfs/dbraw/zinc/42/54/29/795425429.db2.gz OHIDPLZBSFSVIA-RTBURBONSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC001094581400 796421774 /nfs/dbraw/zinc/42/17/74/796421774.db2.gz AQVCMAHEXKFGSZ-TZIWHRDSSA-N 2 0 343.515 2.269 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905710 796450480 /nfs/dbraw/zinc/45/04/80/796450480.db2.gz OBZBLDDDRAJNEB-WMZOPIPTSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905707 796450698 /nfs/dbraw/zinc/45/06/98/796450698.db2.gz OBZBLDDDRAJNEB-AEFFLSMTSA-N 2 0 343.471 2.291 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1 ZINC001081125893 796669793 /nfs/dbraw/zinc/66/97/93/796669793.db2.gz VSBAYRKSPBNCRE-ZWKOTPCHSA-N 2 0 327.472 2.241 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179681 796678974 /nfs/dbraw/zinc/67/89/74/796678974.db2.gz FCPHLVZMBNEWSF-YTQUADARSA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078818990 797023777 /nfs/dbraw/zinc/02/37/77/797023777.db2.gz HCGGSZYROPJIKB-QZTJIDSGSA-N 2 0 325.456 2.012 20 30 EEEDRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173335162 797363833 /nfs/dbraw/zinc/36/38/33/797363833.db2.gz DXFYYLMUXZDGGC-RBGSFJITSA-N 2 0 342.491 2.145 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255798 797514614 /nfs/dbraw/zinc/51/46/14/797514614.db2.gz FHISRFZIHGQRQJ-IAGOWNOFSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564539 806589706 /nfs/dbraw/zinc/58/97/06/806589706.db2.gz ZWENPUCURIDQQU-JXFKEZNVSA-N 2 0 340.471 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001002146155 797624547 /nfs/dbraw/zinc/62/45/47/797624547.db2.gz YEPAYLLJWWXPEX-QGZVFWFLSA-N 2 0 333.520 2.206 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001175049700 797978182 /nfs/dbraw/zinc/97/81/82/797978182.db2.gz XKWOBGYYWSSXRR-SFHVURJKSA-N 2 0 329.488 2.254 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231250 798388186 /nfs/dbraw/zinc/38/81/86/798388186.db2.gz RJVLDKFFQFHPGK-QGZVFWFLSA-N 2 0 327.513 2.186 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404323 798410929 /nfs/dbraw/zinc/41/09/29/798410929.db2.gz VVQMMSYTKCPTBS-ZWKOTPCHSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C/C=C\Cl)[C@H]3C2)CC1 ZINC001085100509 798674401 /nfs/dbraw/zinc/67/44/01/798674401.db2.gz IICQWIFFDCKTIC-YDMGJVBSSA-N 2 0 349.906 2.007 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179651567 800022009 /nfs/dbraw/zinc/02/20/09/800022009.db2.gz IKYWYEIIFFPPID-KSZLIROESA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968618 800217222 /nfs/dbraw/zinc/21/72/22/800217222.db2.gz WNKZVHPEGGIOEJ-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309487 800345730 /nfs/dbraw/zinc/34/57/30/800345730.db2.gz RMCCGDYRZKZOIK-CAOSSQGBSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001181476156 800812493 /nfs/dbraw/zinc/81/24/93/800812493.db2.gz GOTZAVIAPKXVFP-MZMPZRCHSA-N 2 0 339.911 2.155 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592241 801680823 /nfs/dbraw/zinc/68/08/23/801680823.db2.gz DTGBNLGDUBVTRT-WCIQWLHISA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000186597596 802130607 /nfs/dbraw/zinc/13/06/07/802130607.db2.gz GVIYAMPVMHXZIW-IAGOWNOFSA-N 2 0 330.476 2.266 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108696418 804374040 /nfs/dbraw/zinc/37/40/40/804374040.db2.gz BASWWIRHFHITNS-UAGQMJEPSA-N 2 0 345.512 2.416 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108796709 804519648 /nfs/dbraw/zinc/51/96/48/804519648.db2.gz RSFGNWRTWYQOPK-OTWHNJEPSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001086615719 810430352 /nfs/dbraw/zinc/43/03/52/810430352.db2.gz PFLVGDKRSLGBMF-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001130423792 811618159 /nfs/dbraw/zinc/61/81/59/811618159.db2.gz WMBPSVPGARPNMB-DOTOQJQBSA-N 2 0 347.507 2.122 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001086659194 812430201 /nfs/dbraw/zinc/43/02/01/812430201.db2.gz NKFHPYKCLOXLAG-VBQJREDUSA-N 2 0 346.500 2.088 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001480266910 1099962860 /nfs/dbraw/zinc/96/28/60/1099962860.db2.gz BCYWVEOJTTZBKH-MOPGFXCFSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001446950187 1101645765 /nfs/dbraw/zinc/64/57/65/1101645765.db2.gz UMGBEQSFBWAGOO-CVEARBPZSA-N 2 0 327.900 2.442 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001494042573 1103412706 /nfs/dbraw/zinc/41/27/06/1103412706.db2.gz KTHSAQACCCEMCA-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001495058392 1104695051 /nfs/dbraw/zinc/69/50/51/1104695051.db2.gz OLAYIEZXFZJWDS-ZDUSSCGKSA-N 2 0 348.329 2.357 20 30 EEEDRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001507128234 1115122843 /nfs/dbraw/zinc/12/28/43/1115122843.db2.gz SZOSKERMHQGQQZ-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP CN(CC[N@H+](C)CCCOc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000180947103 529895434 /nfs/dbraw/zinc/89/54/34/529895434.db2.gz KRBVMAPREAAIQQ-UHFFFAOYSA-N 2 0 344.503 2.285 20 30 EEEDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564056 242289324 /nfs/dbraw/zinc/28/93/24/242289324.db2.gz UNJCKZJPDWCNGC-MSOLQXFVSA-N 2 0 328.460 2.186 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000264953442 247082408 /nfs/dbraw/zinc/08/24/08/247082408.db2.gz YHOQTRVNZQVVSI-ZHACJKMWSA-N 2 0 342.487 2.303 20 30 EEEDRP CC(C)(C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000566125676 319248616 /nfs/dbraw/zinc/24/86/16/319248616.db2.gz UEICJPGWYVINIG-QGZVFWFLSA-N 2 0 331.460 2.010 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000566407085 319282464 /nfs/dbraw/zinc/28/24/64/319282464.db2.gz YAOTZSRYFMFQTO-QGZVFWFLSA-N 2 0 334.414 2.109 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628276 463686271 /nfs/dbraw/zinc/68/62/71/463686271.db2.gz CEARHLXILFDEGM-IBGZPJMESA-N 2 0 342.487 2.241 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000278727364 463978197 /nfs/dbraw/zinc/97/81/97/463978197.db2.gz CVDXUGMLAKQRTF-UHFFFAOYSA-N 2 0 334.439 2.043 20 30 EEEDRP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1CCC[N@@H+]1C ZINC000262720507 464039946 /nfs/dbraw/zinc/03/99/46/464039946.db2.gz FODNQPYSNUBGGN-OAHLLOKOSA-N 2 0 331.439 2.109 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000172584861 464110792 /nfs/dbraw/zinc/11/07/92/464110792.db2.gz HYSNXGTXRUJFJJ-SFHVURJKSA-N 2 0 334.508 2.297 20 30 EEEDRP C[C@H](CNc1nc(NC[C@H](C)C[NH+](C)C)ccc1C#N)C[NH+](C)C ZINC000291847786 464160291 /nfs/dbraw/zinc/16/02/91/464160291.db2.gz MEPQYJXOIBRSQM-LSDHHAIUSA-N 2 0 332.496 2.172 20 30 EEEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081569 464281027 /nfs/dbraw/zinc/28/10/27/464281027.db2.gz HPBXNTQFBABLRI-QGZVFWFLSA-N 2 0 331.508 2.304 20 30 EEEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264088779 464282238 /nfs/dbraw/zinc/28/22/38/464282238.db2.gz KGJXTUBPHVYDMP-SFHVURJKSA-N 2 0 331.508 2.022 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)CN1CC[NH+](C)CC1 ZINC000237544270 464337648 /nfs/dbraw/zinc/33/76/48/464337648.db2.gz IJGHFLASAYEMGN-GOSISDBHSA-N 2 0 343.519 2.010 20 30 EEEDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN1CC[NH+](C)CC1 ZINC000181689171 464521501 /nfs/dbraw/zinc/52/15/01/464521501.db2.gz LRMBTIMEVGLCTL-IRXDYDNUSA-N 2 0 330.476 2.123 20 30 EEEDRP CC[NH+]=C(NCc1ccc([C@@H](C)O)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175956406 464668257 /nfs/dbraw/zinc/66/82/57/464668257.db2.gz VIHGSOWRZFOCBJ-VQIMIIECSA-N 2 0 342.487 2.152 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176961613 464895510 /nfs/dbraw/zinc/89/55/10/464895510.db2.gz HHNHEPDTYKSIFW-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)C(C)C ZINC000367888816 466550723 /nfs/dbraw/zinc/55/07/23/466550723.db2.gz YUNNSYBZGYMZMC-GUDVDZBRSA-N 2 0 348.535 2.421 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000576340414 468163550 /nfs/dbraw/zinc/16/35/50/468163550.db2.gz YARCCQFHIVKBRP-SFHVURJKSA-N 2 0 345.487 2.204 20 30 EEEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000595504378 468879298 /nfs/dbraw/zinc/87/92/98/468879298.db2.gz HUWRLUQBZWVDRP-LJQANCHMSA-N 2 0 326.444 2.305 20 30 EEEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602768170 469062366 /nfs/dbraw/zinc/06/23/66/469062366.db2.gz WTAHGHQLVUWCPE-UHFFFAOYSA-N 2 0 334.508 2.240 20 30 EEEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847938 469115298 /nfs/dbraw/zinc/11/52/98/469115298.db2.gz WRBXFAQNAQCXCB-UHFFFAOYSA-N 2 0 349.438 2.494 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000603109525 469267089 /nfs/dbraw/zinc/26/70/89/469267089.db2.gz CPAFJYIKCBXLGG-UHFFFAOYSA-N 2 0 342.487 2.372 20 30 EEEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000602549209 469357613 /nfs/dbraw/zinc/35/76/13/469357613.db2.gz SWTIIWLNVWAVFX-VQIMIIECSA-N 2 0 342.487 2.413 20 30 EEEDRP C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131842797 526365710 /nfs/dbraw/zinc/36/57/10/526365710.db2.gz VBPVUHLGVIMNQP-INIZCTEOSA-N 2 0 349.548 2.296 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114643411 526925528 /nfs/dbraw/zinc/92/55/28/526925528.db2.gz KUCLNKNEFVHGAG-HXUWFJFHSA-N 2 0 339.483 2.112 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001020432506 674731860 /nfs/dbraw/zinc/73/18/60/674731860.db2.gz PGYSOBJHYOORKO-WKILWMFISA-N 2 0 335.879 2.394 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971705591 676748609 /nfs/dbraw/zinc/74/86/09/676748609.db2.gz FPGXJKXVUWHIBN-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972409430 678699285 /nfs/dbraw/zinc/69/92/85/678699285.db2.gz OKACXFLGCYUCSC-AZUAARDMSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591489 681232828 /nfs/dbraw/zinc/23/28/28/681232828.db2.gz HXNZOZSSRIMHSP-HKUYNNGSSA-N 2 0 349.519 2.034 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001025160128 682132985 /nfs/dbraw/zinc/13/29/85/682132985.db2.gz ZTZRXOOPWGLJIH-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245059 682324160 /nfs/dbraw/zinc/32/41/60/682324160.db2.gz ZJIGHCILSVGNON-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262000353 682773605 /nfs/dbraw/zinc/77/36/05/682773605.db2.gz PGYCBGLTTWFSBU-AWEZNQCLSA-N 2 0 332.448 2.306 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974859708 685645579 /nfs/dbraw/zinc/64/55/79/685645579.db2.gz BZRZBCFMUWSJAS-IBGZPJMESA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC001027693533 693999831 /nfs/dbraw/zinc/99/98/31/693999831.db2.gz DSBCZGAQSQGHLD-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(OC)cc1 ZINC000303974527 686961857 /nfs/dbraw/zinc/96/18/57/686961857.db2.gz HYVSYZDPZQXTEA-INIZCTEOSA-N 2 0 332.492 2.361 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000987328814 689607755 /nfs/dbraw/zinc/60/77/55/689607755.db2.gz LCLFHTBRRYWHEC-RHSMWYFYSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C[C@H]2C)CC1 ZINC000989828381 692371256 /nfs/dbraw/zinc/37/12/56/692371256.db2.gz CDZAVLQPHUXYBU-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978253390 693414899 /nfs/dbraw/zinc/41/48/99/693414899.db2.gz VFKHZXYTNGINBZ-LUKYLMHMSA-N 2 0 339.911 2.011 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC000978527250 693682120 /nfs/dbraw/zinc/68/21/20/693682120.db2.gz RDYFWRYONHNANN-OWZKRDHZSA-N 2 0 341.499 2.274 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001268069256 1181666556 /nfs/dbraw/zinc/66/65/56/1181666556.db2.gz RGJDFDDYABTGCI-HKUYNNGSSA-N 2 0 329.488 2.061 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876645 1186754411 /nfs/dbraw/zinc/75/44/11/1186754411.db2.gz UTQKFFMODAGXTE-GVDBMIGSSA-N 2 0 339.911 2.250 20 30 EEEDRP O=C(C[NH+]1CCCC1)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001168145959 1187023466 /nfs/dbraw/zinc/02/34/66/1187023466.db2.gz CLLBWZVYLFMHJU-UHFFFAOYSA-N 2 0 339.483 2.010 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577067 1188191257 /nfs/dbraw/zinc/19/12/57/1188191257.db2.gz PVMFZYRIWLQCED-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP Cc1c(C(=O)N[C@H](C)C[NH2+]Cc2cccc(C#N)c2)ccc2c[nH+]cn21 ZINC001483142790 1188740039 /nfs/dbraw/zinc/74/00/39/1188740039.db2.gz KKMREPHMLDENLE-CQSZACIVSA-N 2 0 347.422 2.423 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991064333 1189767394 /nfs/dbraw/zinc/76/73/94/1189767394.db2.gz CWHRBDQDJTYSEF-WSTZPKSXSA-N 2 0 331.504 2.386 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001483908470 1191120188 /nfs/dbraw/zinc/12/01/88/1191120188.db2.gz KVVWOFBKGLJJBC-UONOGXRCSA-N 2 0 346.313 2.206 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)[C@H]1C ZINC001486183355 1193722705 /nfs/dbraw/zinc/72/27/05/1193722705.db2.gz GSKMPHNDTQEVAV-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001273101237 1194385298 /nfs/dbraw/zinc/38/52/98/1194385298.db2.gz QHRZDHWSHQTKSX-LJQANCHMSA-N 2 0 332.492 2.089 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001128773504 1195465929 /nfs/dbraw/zinc/46/59/29/1195465929.db2.gz AHNNFCMEZQAFCL-GOSISDBHSA-N 2 0 347.890 2.272 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139583 1195813183 /nfs/dbraw/zinc/81/31/83/1195813183.db2.gz UUMIJYGZLUMCMX-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133011829 1200333433 /nfs/dbraw/zinc/33/34/33/1200333433.db2.gz NAURCVHAMSCSLS-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213727 1200600889 /nfs/dbraw/zinc/60/08/89/1200600889.db2.gz RSBHKUVOZVMOEK-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)CC1 ZINC000870906155 1200943449 /nfs/dbraw/zinc/94/34/49/1200943449.db2.gz JLVYZDCHQADBOI-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C[C@H](C#N)OCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCO[C@H](C)C#N)CC1 ZINC000886389631 1202500109 /nfs/dbraw/zinc/50/01/09/1202500109.db2.gz RLGUJXJLXXOZHL-BRSBDYLESA-N 2 0 336.480 2.019 20 30 EEEDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(C#N)cn3)C2)C1 ZINC001275034949 1205240682 /nfs/dbraw/zinc/24/06/82/1205240682.db2.gz SDTZHKRNFSUFQF-FQEVSTJZSA-N 2 0 341.503 2.193 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001275309757 1205305433 /nfs/dbraw/zinc/30/54/33/1205305433.db2.gz KYFSYAPHAMZUKE-YOEHRIQHSA-N 2 0 335.879 2.126 20 30 EEEDRP C[NH+](C)CCN1CCC2(C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001275786249 1205526765 /nfs/dbraw/zinc/52/67/65/1205526765.db2.gz GGDXQXQIUVAEHS-UHFFFAOYSA-N 2 0 337.471 2.109 20 30 EEEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275950459 1205600570 /nfs/dbraw/zinc/60/05/70/1205600570.db2.gz WYANKZZLJCRKCW-PMACEKPBSA-N 2 0 337.471 2.250 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947567634 1208624231 /nfs/dbraw/zinc/62/42/31/1208624231.db2.gz FYISDELILIAIEG-SJLPKXTDSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711012 1209317869 /nfs/dbraw/zinc/31/78/69/1209317869.db2.gz KBUWRDSXTNLGBI-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948785961 1209375454 /nfs/dbraw/zinc/37/54/54/1209375454.db2.gz SRTBMNUUWJYLRS-BRWVUGGUSA-N 2 0 330.476 2.413 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948861401 1209421327 /nfs/dbraw/zinc/42/13/27/1209421327.db2.gz NDVGCLSGMUKICF-IBGZPJMESA-N 2 0 327.472 2.308 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948898452 1209443576 /nfs/dbraw/zinc/44/35/76/1209443576.db2.gz IVCLDARMCWPMEK-RBUKOAKNSA-N 2 0 327.472 2.372 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603429 1215248670 /nfs/dbraw/zinc/24/86/70/1215248670.db2.gz SBGVSDGMVZSFAH-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000959914054 1216224574 /nfs/dbraw/zinc/22/45/74/1216224574.db2.gz DGCSOJMORJVFEZ-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960873441 1216955791 /nfs/dbraw/zinc/95/57/91/1216955791.db2.gz FTMHTEQNJKKUNS-OALUTQOASA-N 2 0 342.487 2.321 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230136 1217099375 /nfs/dbraw/zinc/09/93/75/1217099375.db2.gz KLTMRXQSZXMAAK-RTBURBONSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292521 1217131937 /nfs/dbraw/zinc/13/19/37/1217131937.db2.gz JQFXRFVZGDWJBF-PMACEKPBSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961419654 1217183461 /nfs/dbraw/zinc/18/34/61/1217183461.db2.gz IALHRMVDIZAXAZ-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC000964534243 1218435057 /nfs/dbraw/zinc/43/50/57/1218435057.db2.gz TWCYRWRVIAVLFD-UHFFFAOYSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007520232 1222274181 /nfs/dbraw/zinc/27/41/81/1222274181.db2.gz ZLGNLMSZVXZGFI-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018938202 1228551711 /nfs/dbraw/zinc/55/17/11/1228551711.db2.gz DBNGOCYRFNMSSJ-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018989976 1228610852 /nfs/dbraw/zinc/61/08/52/1228610852.db2.gz AXVRMGCLISVYFL-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038716253 1229994060 /nfs/dbraw/zinc/99/40/60/1229994060.db2.gz BYRNJUVXMOEMTB-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133955 1230344777 /nfs/dbraw/zinc/34/47/77/1230344777.db2.gz MUPSAGYQNUJPBT-OALUTQOASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039156081 1230376373 /nfs/dbraw/zinc/37/63/73/1230376373.db2.gz XOHRNOKMDBSDEA-KRWDZBQOSA-N 2 0 343.471 2.149 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228536 1230461067 /nfs/dbraw/zinc/46/10/67/1230461067.db2.gz IZWGAXRWRRBNRS-LPHOPBHVSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039295538 1230513850 /nfs/dbraw/zinc/51/38/50/1230513850.db2.gz NMUWPDUADZFBLJ-ALOPSCKCSA-N 2 0 329.444 2.090 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040256948 1231136507 /nfs/dbraw/zinc/13/65/07/1231136507.db2.gz BYXCSAKBFBWHDE-HXUWFJFHSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275126 1231147161 /nfs/dbraw/zinc/14/71/61/1231147161.db2.gz INYIGTIYSUQIMS-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545594 1231286083 /nfs/dbraw/zinc/28/60/83/1231286083.db2.gz RQAJFGQQKCSJEE-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545637 1231286722 /nfs/dbraw/zinc/28/67/22/1231286722.db2.gz TWHVRWCJZGACMH-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001040702046 1231341096 /nfs/dbraw/zinc/34/10/96/1231341096.db2.gz RJYGHEWJYDYJFI-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605850 1231621215 /nfs/dbraw/zinc/62/12/15/1231621215.db2.gz NIRLMQAOZZWWHQ-LJQANCHMSA-N 2 0 331.460 2.455 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725202 1231663389 /nfs/dbraw/zinc/66/33/89/1231663389.db2.gz LKCIEZNBXAJBGA-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054830617 1249177199 /nfs/dbraw/zinc/17/71/99/1249177199.db2.gz OTXLUHZNRNPSBP-ZBEGNZNMSA-N 2 0 332.835 2.445 20 30 EEEDRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001045067095 1233480702 /nfs/dbraw/zinc/48/07/02/1233480702.db2.gz FKOUXRFUAWIJGS-YOEHRIQHSA-N 2 0 346.500 2.041 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001045079238 1233489136 /nfs/dbraw/zinc/48/91/36/1233489136.db2.gz ZHQJOUOVHJRCMY-OALUTQOASA-N 2 0 342.487 2.225 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001045685352 1233906420 /nfs/dbraw/zinc/90/64/20/1233906420.db2.gz HNKJHRLJKRYROA-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000900246664 1234119503 /nfs/dbraw/zinc/11/95/03/1234119503.db2.gz RYTHYMJZISSXFZ-SFHVURJKSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)CC1 ZINC001045896195 1234128230 /nfs/dbraw/zinc/12/82/30/1234128230.db2.gz XBYREGRZEHKKDF-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045985633 1234280364 /nfs/dbraw/zinc/28/03/64/1234280364.db2.gz YRWICDGWBPETEM-AEFFLSMTSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319203 1234663626 /nfs/dbraw/zinc/66/36/26/1234663626.db2.gz PZDCJLPLIBSXBR-YLJYHZDGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241713 1235729546 /nfs/dbraw/zinc/72/95/46/1235729546.db2.gz SWXRCUJFJUVXKI-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252536 1235753888 /nfs/dbraw/zinc/75/38/88/1235753888.db2.gz FDJVRAMUXUHMPC-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862191 1239067540 /nfs/dbraw/zinc/06/75/40/1239067540.db2.gz STZFVTYPIISOIQ-ZIFCJYIRSA-N 2 0 331.504 2.360 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235418 1240341433 /nfs/dbraw/zinc/34/14/33/1240341433.db2.gz KALZQNIVFOCBBR-OTWHNJEPSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525448 1241248967 /nfs/dbraw/zinc/24/89/67/1241248967.db2.gz QPHGHBMSGOREIZ-AQNXPRMDSA-N 2 0 343.515 2.482 20 30 EEEDRP N#Cc1ccc(C2([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000903932088 1242549969 /nfs/dbraw/zinc/54/99/69/1242549969.db2.gz MCNPRBGEWNWSAU-KRWDZBQOSA-N 2 0 336.443 2.243 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912751 1242674282 /nfs/dbraw/zinc/67/42/82/1242674282.db2.gz OILCLIBAFQIBKG-RTBURBONSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@H](F)CC)CC3)CC1 ZINC001050765819 1244319594 /nfs/dbraw/zinc/31/95/94/1244319594.db2.gz XOLFGUURKCTJTI-GOSISDBHSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701274 1244783511 /nfs/dbraw/zinc/78/35/11/1244783511.db2.gz CALFXXHCSJBBRT-APWZRJJASA-N 2 0 337.483 2.193 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820674 1245074251 /nfs/dbraw/zinc/07/42/51/1245074251.db2.gz SWEIWBAJWBJLMH-MRXNPFEDSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[N@@H+]1CCc2c(CNC(=O)C3CC[NH+](C)CC3)cccc2C1 ZINC001051298577 1245497175 /nfs/dbraw/zinc/49/71/75/1245497175.db2.gz XLOHJHBDGVDTHR-UHFFFAOYSA-N 2 0 339.483 2.026 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@H+]3CC)cccc2C1 ZINC001051306855 1245511419 /nfs/dbraw/zinc/51/14/19/1245511419.db2.gz UJYKUQWFBGWMQT-HXUWFJFHSA-N 2 0 339.483 2.169 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953666 1245545737 /nfs/dbraw/zinc/54/57/37/1245545737.db2.gz FLOCPWUAXXSESY-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105206 1245920307 /nfs/dbraw/zinc/92/03/07/1245920307.db2.gz MSHVPPAJTYHDJG-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001101574751 1245978918 /nfs/dbraw/zinc/97/89/18/1245978918.db2.gz BLYTWSNIGNJTQO-KRWDZBQOSA-N 2 0 333.520 2.206 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255276 1246780543 /nfs/dbraw/zinc/78/05/43/1246780543.db2.gz YPTVENQIETUOBK-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182885 1247638965 /nfs/dbraw/zinc/63/89/65/1247638965.db2.gz TUAXFHCBPXHPHL-PZJWPPBQSA-N 2 0 345.531 2.446 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042516 1257293160 /nfs/dbraw/zinc/29/31/60/1257293160.db2.gz WIILUOSWMDTSEO-VBQJREDUSA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115957 1257976562 /nfs/dbraw/zinc/97/65/62/1257976562.db2.gz LYYDERDBFMPMNN-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C(F)(F)F ZINC001099317179 1258078858 /nfs/dbraw/zinc/07/88/58/1258078858.db2.gz UKYIPBNHIFAFNR-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CC(C)(C)C ZINC001099530015 1258193145 /nfs/dbraw/zinc/19/31/45/1258193145.db2.gz ZCTVICCXCXQYNY-MANSERQUSA-N 2 0 345.531 2.156 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001185706358 1278748089 /nfs/dbraw/zinc/74/80/89/1278748089.db2.gz NPYYKHQXVBGOOD-QGZVFWFLSA-N 2 0 335.879 2.104 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187035166 1279376240 /nfs/dbraw/zinc/37/62/40/1279376240.db2.gz WCQIQUMRONTTAE-RTBURBONSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644899 1280992095 /nfs/dbraw/zinc/99/20/95/1280992095.db2.gz ONNFOLHITMBHOE-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194229369 1282933314 /nfs/dbraw/zinc/93/33/14/1282933314.db2.gz WSBOVLNHKNKFCK-LJQANCHMSA-N 2 0 345.487 2.097 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001197188166 1284478182 /nfs/dbraw/zinc/47/81/82/1284478182.db2.gz TYZVEIIASREZMS-BRWVUGGUSA-N 2 0 330.476 2.413 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1OC ZINC001198760452 1285347870 /nfs/dbraw/zinc/34/78/70/1285347870.db2.gz WXDHROVKAFRKLB-IEBWSBKVSA-N 2 0 345.487 2.358 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201421446 1289575494 /nfs/dbraw/zinc/57/54/94/1289575494.db2.gz UTHAVOSCWDWQMQ-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001211233789 1295771519 /nfs/dbraw/zinc/77/15/19/1295771519.db2.gz OXRSJQRFDUYCNU-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP N#CC1(NC(=O)C[C@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643332 1298486242 /nfs/dbraw/zinc/48/62/42/1298486242.db2.gz ASAGAWTWBNEAQQ-GOSISDBHSA-N 2 0 340.471 2.051 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710893 1299000996 /nfs/dbraw/zinc/00/09/96/1299000996.db2.gz NVPUOTOZJRLVPI-GUDVDZBRSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224558469 1300647896 /nfs/dbraw/zinc/64/78/96/1300647896.db2.gz FFFRATQPYZLEFZ-IBGZPJMESA-N 2 0 337.483 2.050 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001102601274 1301275551 /nfs/dbraw/zinc/27/55/51/1301275551.db2.gz VCRFCOBPPPALIT-VQIMIIECSA-N 2 0 342.487 2.083 20 30 EEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454004 1301835458 /nfs/dbraw/zinc/83/54/58/1301835458.db2.gz LPCJXYKLEHLFNI-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112072148 1304203445 /nfs/dbraw/zinc/20/34/45/1304203445.db2.gz LJSNGMDUFJGADU-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113425 1304251471 /nfs/dbraw/zinc/25/14/71/1304251471.db2.gz TUINLUNFDMSTCQ-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234434973 1304921768 /nfs/dbraw/zinc/92/17/68/1304921768.db2.gz AIXPMBFMVWWTOV-KRWDZBQOSA-N 2 0 330.476 2.261 20 30 EEEDRP N#Cc1cc(-c2ccn3cnc(C4C[NH2+]C4)c3c2)cc(C2C[NH2+]C2)c1 ZINC001240345246 1309308400 /nfs/dbraw/zinc/30/84/00/1309308400.db2.gz DNTTZZRMNCNWGT-UHFFFAOYSA-N 2 0 329.407 2.247 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001122118562 1310225455 /nfs/dbraw/zinc/22/54/55/1310225455.db2.gz JHWAQSLWFGOOKD-SJORKVTESA-N 2 0 339.524 2.339 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246414539 1310304931 /nfs/dbraw/zinc/30/49/31/1310304931.db2.gz IHVUGNIDFZHWJU-HFCFLWKCSA-N 2 0 346.450 2.102 20 30 EEEDRP C[C@@H]1CC[C@H](N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769949 1310421600 /nfs/dbraw/zinc/42/16/00/1310421600.db2.gz SGYZSZURTSYKMX-BPAFIMBUSA-N 2 0 338.455 2.128 20 30 EEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001162996847 1321008395 /nfs/dbraw/zinc/00/83/95/1321008395.db2.gz CQZYCIWPMQSOQJ-IBGZPJMESA-N 2 0 329.488 2.175 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203005222 1314815809 /nfs/dbraw/zinc/81/58/09/1314815809.db2.gz NTDCSBGEFHHSFB-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142696710 1315707152 /nfs/dbraw/zinc/70/71/52/1315707152.db2.gz SABCQPOTCJYQBR-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397444 1315957642 /nfs/dbraw/zinc/95/76/42/1315957642.db2.gz BTXWTZMPDHHRIH-MSOLQXFVSA-N 2 0 339.524 2.258 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001149818206 1316055662 /nfs/dbraw/zinc/05/56/62/1316055662.db2.gz QLAPEZIYFQVZOE-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)CN1CCC(CCOC)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001151403495 1316522111 /nfs/dbraw/zinc/52/21/11/1316522111.db2.gz WSQAOVLUKHOGJP-UHFFFAOYSA-N 2 0 345.915 2.068 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828640 1316894374 /nfs/dbraw/zinc/89/43/74/1316894374.db2.gz PIQBKNGHAWAPCD-GOSISDBHSA-N 2 0 341.499 2.349 20 30 EEEDRP N#Cc1ccccc1OCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683599 1318831014 /nfs/dbraw/zinc/83/10/14/1318831014.db2.gz FIZBBCJYHDIVKB-UHFFFAOYSA-N 2 0 329.444 2.170 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159328651 1319742246 /nfs/dbraw/zinc/74/22/46/1319742246.db2.gz VEYZRZBJDWFYPB-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780428 1320267062 /nfs/dbraw/zinc/26/70/62/1320267062.db2.gz RFQSYTMDLODTTI-DYXWJJEUSA-N 2 0 341.499 2.450 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001162848434 1320973034 /nfs/dbraw/zinc/97/30/34/1320973034.db2.gz ITSULOLFXAHVLM-FQEVSTJZSA-N 2 0 341.499 2.155 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001163820504 1321224979 /nfs/dbraw/zinc/22/49/79/1321224979.db2.gz FUFDYEJHWMVFTH-LJQANCHMSA-N 2 0 339.483 2.008 20 30 EEEDRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001165246851 1321482567 /nfs/dbraw/zinc/48/25/67/1321482567.db2.gz UWLOFGLFJGYJSJ-UHFFFAOYSA-N 2 0 346.456 2.184 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507273 1321900077 /nfs/dbraw/zinc/90/00/77/1321900077.db2.gz PJCGSDYWHYSASF-RTBURBONSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771404 1321957739 /nfs/dbraw/zinc/95/77/39/1321957739.db2.gz NKZXTEQIOOHFGJ-MOPGFXCFSA-N 2 0 343.515 2.315 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)C)C23CCC3)CC1 ZINC001203774231 1321958370 /nfs/dbraw/zinc/95/83/70/1321958370.db2.gz ZJCQMAKVCWJUPA-MOPGFXCFSA-N 2 0 345.531 2.395 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206794831 1323600655 /nfs/dbraw/zinc/60/06/55/1323600655.db2.gz VFFVWODOFKUIRT-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001208374106 1324459829 /nfs/dbraw/zinc/45/98/29/1324459829.db2.gz WHRPDRHULAJWDQ-PMACEKPBSA-N 2 0 341.499 2.205 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208424472 1324491108 /nfs/dbraw/zinc/49/11/08/1324491108.db2.gz ZHFDENIMOJWXNC-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276608637 1324764850 /nfs/dbraw/zinc/76/48/50/1324764850.db2.gz ROIBPCAISMTYLH-FQEVSTJZSA-N 2 0 343.519 2.136 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001210750864 1325414652 /nfs/dbraw/zinc/41/46/52/1325414652.db2.gz MSQNKDCSNMWDQU-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001210773374 1325424570 /nfs/dbraw/zinc/42/45/70/1325424570.db2.gz IARXFUAKPNDRLE-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001340111641 1337123831 /nfs/dbraw/zinc/12/38/31/1337123831.db2.gz GNSISWAFRAATIC-KRWDZBQOSA-N 2 0 330.476 2.369 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001100683730 1338636363 /nfs/dbraw/zinc/63/63/63/1338636363.db2.gz PATWQXIJSWXGCZ-PVARCSIZSA-N 2 0 346.450 2.022 20 30 EEEDRP C=CC1(CC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C[NH2+]C1 ZINC001574879586 1343708024 /nfs/dbraw/zinc/70/80/24/1343708024.db2.gz GDWMHZRMJCLXSO-OAHLLOKOSA-N 2 0 335.879 2.267 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001388736886 1387685114 /nfs/dbraw/zinc/68/51/14/1387685114.db2.gz UEKSVBZLPOJDQL-JCNLHEQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702068 1370560111 /nfs/dbraw/zinc/56/01/11/1370560111.db2.gz SQDDKSLRTCMVNF-FUHWJXTLSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CCc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O ZINC001138628990 1372406546 /nfs/dbraw/zinc/40/65/46/1372406546.db2.gz KFFWBVKOXCSVQE-UHFFFAOYSA-N 2 0 329.488 2.333 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001367400285 1374157838 /nfs/dbraw/zinc/15/78/38/1374157838.db2.gz MTCRSJAVJJEGEK-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001372651076 1376113537 /nfs/dbraw/zinc/11/35/37/1376113537.db2.gz NLEOBRADLNEPEE-RBUKOAKNSA-N 2 0 342.487 2.083 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001375497900 1377788951 /nfs/dbraw/zinc/78/89/51/1377788951.db2.gz DUOVMUDIOTYGOF-WOVMCDHWSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001390570313 1388685276 /nfs/dbraw/zinc/68/52/76/1388685276.db2.gz RONJIZZODLDTQB-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1C#N ZINC001390663721 1388723121 /nfs/dbraw/zinc/72/31/21/1388723121.db2.gz LWROALAITWQRHY-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390665251 1388723515 /nfs/dbraw/zinc/72/35/15/1388723515.db2.gz OYMJJAUCNIZQJI-CQSZACIVSA-N 2 0 346.450 2.166 20 30 EEEDRP CCCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccccc1C#N ZINC001391131443 1389060565 /nfs/dbraw/zinc/06/05/65/1389060565.db2.gz AMJCKADLZWOOPE-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001753032021 1406610019 /nfs/dbraw/zinc/61/00/19/1406610019.db2.gz HVTBHHLCWPHIOI-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001753074170 1406666798 /nfs/dbraw/zinc/66/67/98/1406666798.db2.gz BOJIOTYQKQWGLQ-UHFFFAOYSA-N 2 0 341.499 2.197 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001399083639 1394679573 /nfs/dbraw/zinc/67/95/73/1394679573.db2.gz ASBYKBJMZARFAT-INIZCTEOSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001401088303 1396925626 /nfs/dbraw/zinc/92/56/26/1396925626.db2.gz GVKVJAOSVOZLCE-UHFFFAOYSA-N 2 0 339.911 2.395 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983741 1398304326 /nfs/dbraw/zinc/30/43/26/1398304326.db2.gz XNGQFOBEXIBEEV-CABCVRRESA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423327591 1400525889 /nfs/dbraw/zinc/52/58/89/1400525889.db2.gz PONFSBSXWNOXCF-CJNGLKHVSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001425524209 1401595083 /nfs/dbraw/zinc/59/50/83/1401595083.db2.gz QHNROIZDKJGBLC-KBPBESRZSA-N 2 0 346.313 2.062 20 30 EEEDRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001576971329 1403616706 /nfs/dbraw/zinc/61/67/06/1403616706.db2.gz PIBMYRLHMXBPMJ-QAPCUYQASA-N 2 0 330.476 2.212 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001112439958 1410923994 /nfs/dbraw/zinc/92/39/94/1410923994.db2.gz LHVSUVOHFPMXDD-PXNSSMCTSA-N 2 0 342.487 2.312 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001075411084 759384724 /nfs/dbraw/zinc/38/47/24/759384724.db2.gz MSRHXFUGNHFPFD-QZTJIDSGSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454166 760709348 /nfs/dbraw/zinc/70/93/48/760709348.db2.gz MOJMYJZNMJMXJQ-WSTZPKSXSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001104682161 764735658 /nfs/dbraw/zinc/73/56/58/764735658.db2.gz DRBKPWWZWQOHLN-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430379 769089785 /nfs/dbraw/zinc/08/97/85/769089785.db2.gz MEMYNEMDRFQTOA-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980150089 773954725 /nfs/dbraw/zinc/95/47/25/773954725.db2.gz WOSMOXGLHAASLS-RYQLBKOJSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001089660528 774043352 /nfs/dbraw/zinc/04/33/52/774043352.db2.gz KRMCIHYUVNQRGN-IAGOWNOFSA-N 2 0 342.487 2.076 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCCC)C[C@@H]3C2)CC1 ZINC000980257924 774203088 /nfs/dbraw/zinc/20/30/88/774203088.db2.gz VRDGBUZVOOBEMU-SLFFLAALSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820824 776963786 /nfs/dbraw/zinc/96/37/86/776963786.db2.gz PBULAVMPDSUIBY-MHORFTMASA-N 2 0 331.504 2.216 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847744 777907244 /nfs/dbraw/zinc/90/72/44/777907244.db2.gz XKPGGMOLKYYABI-RDGPPVDQSA-N 2 0 343.515 2.053 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849870 777994000 /nfs/dbraw/zinc/99/40/00/777994000.db2.gz KHFWCRIHOJPMEV-YRPNKDGESA-N 2 0 345.531 2.463 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799223 778222612 /nfs/dbraw/zinc/22/26/12/778222612.db2.gz ZMVOBCSRXHDBCO-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000982013142 778866153 /nfs/dbraw/zinc/86/61/53/778866153.db2.gz MLCZWQONTDIYJP-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711353 779467889 /nfs/dbraw/zinc/46/78/89/779467889.db2.gz FEHOTZWUQNYCFE-VQTJNVASSA-N 2 0 341.499 2.326 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CCCC)CC3)CC1 ZINC001040947788 781737849 /nfs/dbraw/zinc/73/78/49/781737849.db2.gz GBSXWLRYDVWJFS-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395775 781889366 /nfs/dbraw/zinc/88/93/66/781889366.db2.gz FGYKIJXTUMWIEL-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184411 784019792 /nfs/dbraw/zinc/01/97/92/784019792.db2.gz JPXFZIJMMSONFK-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744207 784352380 /nfs/dbraw/zinc/35/23/80/784352380.db2.gz XTFSMKGCCJPGML-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086803457 784732183 /nfs/dbraw/zinc/73/21/83/784732183.db2.gz KFBSFFWRHXFGRF-PKOBYXMFSA-N 2 0 329.488 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CC[C@H](C)F)C3)CC2)CC1 ZINC001035856062 785294978 /nfs/dbraw/zinc/29/49/78/785294978.db2.gz GGUOGMUURPLAKN-KRWDZBQOSA-N 2 0 349.494 2.004 20 30 EEEDRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000996664751 787053350 /nfs/dbraw/zinc/05/33/50/787053350.db2.gz IPRRSMQZCAGJNP-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@@H]2C1 ZINC000946875072 789135362 /nfs/dbraw/zinc/13/53/62/789135362.db2.gz DJXRHRKWEZTVFI-NSHGMRRFSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000997365979 789739303 /nfs/dbraw/zinc/73/93/03/789739303.db2.gz XEJXXYUKCXRNGR-UHFFFAOYSA-N 2 0 339.483 2.112 20 30 EEEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001171215613 790074137 /nfs/dbraw/zinc/07/41/37/790074137.db2.gz BWJXYADRAVUWPB-LSTHTHJFSA-N 2 0 326.488 2.199 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001146383386 791254719 /nfs/dbraw/zinc/25/47/19/791254719.db2.gz FUUOESFSWQFJDQ-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292679 792330752 /nfs/dbraw/zinc/33/07/52/792330752.db2.gz POVNESHCRHLPEE-ROUUACIJSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998271690 792415623 /nfs/dbraw/zinc/41/56/23/792415623.db2.gz YGXTXWKXEVMQSY-KGLIPLIRSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942517 793035282 /nfs/dbraw/zinc/03/52/82/793035282.db2.gz UHNSMLSFYYGGFP-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC001036783312 794984119 /nfs/dbraw/zinc/98/41/19/794984119.db2.gz XYSZCHLOKSGSDL-IEBWSBKVSA-N 2 0 334.423 2.042 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093383771 795126394 /nfs/dbraw/zinc/12/63/94/795126394.db2.gz OFIWXUAACHWDDD-HXUWFJFHSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001093399907 795177859 /nfs/dbraw/zinc/17/78/59/795177859.db2.gz WJMWMYKXFVCXDP-BOHSKOPMSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820036 795287529 /nfs/dbraw/zinc/28/75/29/795287529.db2.gz BPRRWMBKSUHBFJ-HOTGVXAUSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842383 795425797 /nfs/dbraw/zinc/42/57/97/795425797.db2.gz OHIDPLZBSFSVIA-MOPGFXCFSA-N 2 0 327.472 2.471 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081126813 796670631 /nfs/dbraw/zinc/67/06/31/796670631.db2.gz GILKDOZQESCHRA-SLFFLAALSA-N 2 0 339.483 2.078 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683680 796675145 /nfs/dbraw/zinc/67/51/45/796675145.db2.gz PFCWECKNMYONNV-INIZCTEOSA-N 2 0 344.459 2.415 20 30 EEEDRP COCCC[NH+]1CCC(NC(=[NH2+])c2ccc3ccccc3n2)CC1 ZINC001172247659 796940743 /nfs/dbraw/zinc/94/07/43/796940743.db2.gz OQRFGCCJJPSGDB-UHFFFAOYSA-N 2 0 326.444 2.441 20 30 EEEDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172307387 796950100 /nfs/dbraw/zinc/95/01/00/796950100.db2.gz DIEWDGXIPBNYAZ-HNNXBMFYSA-N 2 0 329.444 2.236 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820733 797027455 /nfs/dbraw/zinc/02/74/55/797027455.db2.gz ZHJQTTQWGROALI-RBUKOAKNSA-N 2 0 343.515 2.149 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211887 797393161 /nfs/dbraw/zinc/39/31/61/797393161.db2.gz ZPOYJZACOBBDNB-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564451 806590099 /nfs/dbraw/zinc/59/00/99/806590099.db2.gz UIAMJYBWXJQHHB-PXNSSMCTSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543152 798004312 /nfs/dbraw/zinc/00/43/12/798004312.db2.gz HNGGYLSEWAQOQL-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958261 798578154 /nfs/dbraw/zinc/57/81/54/798578154.db2.gz RZGHZIZWWMQFFO-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP N#Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176879784 798610658 /nfs/dbraw/zinc/61/06/58/798610658.db2.gz KGKWSODORSEUJT-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001181476970 800813115 /nfs/dbraw/zinc/81/31/15/800813115.db2.gz PPSPYGMVGFVZGE-IMFGXOCKSA-N 2 0 333.520 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001183129616 801469644 /nfs/dbraw/zinc/46/96/44/801469644.db2.gz WMXJINWABIDVJE-DYESRHJHSA-N 2 0 345.531 2.206 20 30 EEEDRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001128552156 802962922 /nfs/dbraw/zinc/96/29/22/802962922.db2.gz KXTAIFRZHDXLFG-UHFFFAOYSA-N 2 0 342.468 2.201 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946743715 803018281 /nfs/dbraw/zinc/01/82/81/803018281.db2.gz ZRYAMQQERTWQSC-CALCHBBNSA-N 2 0 343.471 2.149 20 30 EEEDRP C=C(C)CCN1CCn2ncc(CNC(=O)CC[N@@H+](C)CCC)c2C1 ZINC001128559764 803072483 /nfs/dbraw/zinc/07/24/83/803072483.db2.gz DMYPPCDJTDGQSW-UHFFFAOYSA-N 2 0 347.507 2.013 20 30 EEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001108787154 804495026 /nfs/dbraw/zinc/49/50/26/804495026.db2.gz LFJUNRNJTWTBGT-KSZLIROESA-N 2 0 349.519 2.033 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438824810 1091441416 /nfs/dbraw/zinc/44/14/16/1091441416.db2.gz XAZCYWONJQEARA-ZWKOTPCHSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001445118969 1100364166 /nfs/dbraw/zinc/36/41/66/1100364166.db2.gz UGRWBSDZFRDFQB-JKSUJKDBSA-N 2 0 327.900 2.345 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001480536125 1100365189 /nfs/dbraw/zinc/36/51/89/1100365189.db2.gz CFPBJCFGGQAOKL-HNNXBMFYSA-N 2 0 330.476 2.130 20 30 EEEDRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(C#N)s1 ZINC001493292056 1107870523 /nfs/dbraw/zinc/87/05/23/1107870523.db2.gz XLPMMNUNXAYPGZ-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001479339125 1110683206 /nfs/dbraw/zinc/68/32/06/1110683206.db2.gz XFVUMBBRJQHCHW-IPELMVKDSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001502014749 1113559136 /nfs/dbraw/zinc/55/91/36/1113559136.db2.gz KSWRHMFVWOJRSX-UHFFFAOYSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003416 1113870625 /nfs/dbraw/zinc/87/06/25/1113870625.db2.gz RCDQXXRVKWQBMO-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000296699391 465230689 /nfs/dbraw/zinc/23/06/89/465230689.db2.gz YYOWFHXYKCTSIJ-LJQANCHMSA-N 2 0 342.487 2.078 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000067266973 462984338 /nfs/dbraw/zinc/98/43/38/462984338.db2.gz ADNBHHYTLLBMPF-LJQANCHMSA-N 2 0 327.472 2.059 20 30 EEEDRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161636441 463444278 /nfs/dbraw/zinc/44/42/78/463444278.db2.gz ZUZNUVROBNCVSC-UHFFFAOYSA-N 2 0 327.476 2.386 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186579291 464026144 /nfs/dbraw/zinc/02/61/44/464026144.db2.gz IAKYMXABUOCFIK-ROUUACIJSA-N 2 0 329.488 2.375 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186579310 464026229 /nfs/dbraw/zinc/02/62/29/464026229.db2.gz IAKYMXABUOCFIK-MSOLQXFVSA-N 2 0 329.488 2.375 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000264122947 464285465 /nfs/dbraw/zinc/28/54/65/464285465.db2.gz VQAFZLRPYJAXAO-UHFFFAOYSA-N 2 0 340.471 2.404 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(F)F)c1 ZINC000264316344 464294878 /nfs/dbraw/zinc/29/48/78/464294878.db2.gz WIALSLZREVIZMX-CQSZACIVSA-N 2 0 340.418 2.219 20 30 EEEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383428 464544286 /nfs/dbraw/zinc/54/42/86/464544286.db2.gz BOYWIDWPIWJJEO-YLJYHZDGSA-N 2 0 327.472 2.275 20 30 EEEDRP CC[NH+]=C(NCc1ccc([C@H](C)O)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175956393 464667554 /nfs/dbraw/zinc/66/75/54/464667554.db2.gz VIHGSOWRZFOCBJ-LPHOPBHVSA-N 2 0 342.487 2.152 20 30 EEEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N(C)C2CC2)cc1OC ZINC000273318868 464710720 /nfs/dbraw/zinc/71/07/20/464710720.db2.gz FPSPLZHZAZGEDW-UHFFFAOYSA-N 2 0 348.491 2.325 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000273324665 464710793 /nfs/dbraw/zinc/71/07/93/464710793.db2.gz HFKWNFTZRSMBKX-OAHLLOKOSA-N 2 0 348.491 2.373 20 30 EEEDRP C=CCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000282344818 464783690 /nfs/dbraw/zinc/78/36/90/464783690.db2.gz MJLIJVKJDMTUIZ-UHFFFAOYSA-N 2 0 347.503 2.376 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329865803 465456028 /nfs/dbraw/zinc/45/60/28/465456028.db2.gz APDBDCCPRVDGIK-HZPDHXFCSA-N 2 0 345.491 2.163 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304648829 466307964 /nfs/dbraw/zinc/30/79/64/466307964.db2.gz XQWNSXLXGMAGRU-GOEBONIOSA-N 2 0 338.521 2.462 20 30 EEEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570876 468484805 /nfs/dbraw/zinc/48/48/05/468484805.db2.gz YMFARKQWEKWYKF-OXQOHEQNSA-N 2 0 349.482 2.470 20 30 EEEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424148470 466990822 /nfs/dbraw/zinc/99/08/22/466990822.db2.gz ULRCTGOQBFBEBH-AEFFLSMTSA-N 2 0 328.460 2.131 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cn2ccccc2c1C#N ZINC000374421955 467045590 /nfs/dbraw/zinc/04/55/90/467045590.db2.gz QBBUUYKPPRWXEC-LSTHTHJFSA-N 2 0 338.455 2.494 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCOc1ccccc1C#N ZINC000374424028 467045793 /nfs/dbraw/zinc/04/57/93/467045793.db2.gz YEAGQYRRVJNLFC-AOIWGVFYSA-N 2 0 329.444 2.121 20 30 EEEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708314 467577395 /nfs/dbraw/zinc/57/73/95/467577395.db2.gz FTQLBUMNZOXCJD-VQTJNVASSA-N 2 0 326.488 2.476 20 30 EEEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000584478100 468882431 /nfs/dbraw/zinc/88/24/31/468882431.db2.gz HBARZEUKEFPGBQ-UHFFFAOYSA-N 2 0 330.476 2.098 20 30 EEEDRP C[C@H](CCC#N)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000602659939 468994035 /nfs/dbraw/zinc/99/40/35/468994035.db2.gz WKDXXNYHPPFBCQ-QGZVFWFLSA-N 2 0 334.508 2.240 20 30 EEEDRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000611391890 469239910 /nfs/dbraw/zinc/23/99/10/469239910.db2.gz CVAICDIPYADAGH-OXJNMPFZSA-N 2 0 326.488 2.409 20 30 EEEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602514452 469345320 /nfs/dbraw/zinc/34/53/20/469345320.db2.gz NDCKPHKSHWNQJP-UHFFFAOYSA-N 2 0 349.482 2.381 20 30 EEEDRP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602535590 469353455 /nfs/dbraw/zinc/35/34/55/469353455.db2.gz QOKKWIUKJIQXDP-OALUTQOASA-N 2 0 342.487 2.377 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021197 782134877 /nfs/dbraw/zinc/13/48/77/782134877.db2.gz CJQJHEFCICIIPV-VQTJNVASSA-N 2 0 339.483 2.151 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000747401805 577943621 /nfs/dbraw/zinc/94/36/21/577943621.db2.gz DQCVDKHMYJFFOJ-UHFFFAOYSA-N 2 0 348.450 2.465 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001020509374 674970677 /nfs/dbraw/zinc/97/06/77/674970677.db2.gz SJXSSTUOKZIFOI-LNMJFAINSA-N 2 0 340.471 2.025 20 30 EEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461140 675910941 /nfs/dbraw/zinc/91/09/41/675910941.db2.gz YNIBTWVTAWRYGA-AHRSYUTCSA-N 2 0 341.499 2.344 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182221 675942865 /nfs/dbraw/zinc/94/28/65/675942865.db2.gz LEZMNKORXDNUAD-LJQANCHMSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970043246 675415223 /nfs/dbraw/zinc/41/52/23/675415223.db2.gz TYNDITAYVQWZAQ-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156956 675715139 /nfs/dbraw/zinc/71/51/39/675715139.db2.gz ZWFWERJWJZLONJ-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021090837 675716537 /nfs/dbraw/zinc/71/65/37/675716537.db2.gz LSRMDYWIXZKXJR-LNMJFAINSA-N 2 0 340.471 2.168 20 30 EEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970211920 675719885 /nfs/dbraw/zinc/71/98/85/675719885.db2.gz BYXDNWWSHDZJKO-INIZCTEOSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000970922540 676244661 /nfs/dbraw/zinc/24/46/61/676244661.db2.gz YCNMGNSRIPJCLN-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972494475 678917434 /nfs/dbraw/zinc/91/74/34/678917434.db2.gz QVICFUABRWVRRA-FQEVSTJZSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001023122776 679133770 /nfs/dbraw/zinc/13/37/70/679133770.db2.gz DOUQYEXSECJKDW-XDQVBPFNSA-N 2 0 344.297 2.005 20 30 EEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604915 679410460 /nfs/dbraw/zinc/41/04/60/679410460.db2.gz UCFWAEIQWPFXBT-RLLQIKCJSA-N 2 0 341.499 2.346 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652965 681318550 /nfs/dbraw/zinc/31/85/50/681318550.db2.gz ZPOGNSFSELZCKW-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028602138 681350821 /nfs/dbraw/zinc/35/08/21/681350821.db2.gz XXFDXRZRZYHCMP-UXHICEINSA-N 2 0 345.531 2.493 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1 ZINC001028605702 681360926 /nfs/dbraw/zinc/36/09/26/681360926.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 0 349.438 2.023 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605345 681782693 /nfs/dbraw/zinc/78/26/93/681782693.db2.gz KWIRRKAFDWXCLV-YTQUADARSA-N 2 0 328.460 2.028 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025160317 682132958 /nfs/dbraw/zinc/13/29/58/682132958.db2.gz GVLAIDNWJHOKLU-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239744 682295447 /nfs/dbraw/zinc/29/54/47/682295447.db2.gz ITMQFKGBMDHEEH-ROUUACIJSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025288977 682397468 /nfs/dbraw/zinc/39/74/68/682397468.db2.gz NVTPCMDRJMUNLJ-RTBURBONSA-N 2 0 340.471 2.240 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261958625 682641062 /nfs/dbraw/zinc/64/10/62/682641062.db2.gz JNSFKAPWLYYOAQ-RVKKMQEKSA-N 2 0 342.487 2.200 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465834 682839942 /nfs/dbraw/zinc/83/99/42/682839942.db2.gz WLTXFHLPRHUKMQ-RDJZCZTQSA-N 2 0 338.455 2.496 20 30 EEEDRP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262015832 682848186 /nfs/dbraw/zinc/84/81/86/682848186.db2.gz XRYYXYJQRWEKBQ-TZMCWYRMSA-N 2 0 333.480 2.120 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001025629250 683160318 /nfs/dbraw/zinc/16/03/18/683160318.db2.gz DWCIDAZACWXREY-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992904948 683633356 /nfs/dbraw/zinc/63/33/56/683633356.db2.gz HUMGKMUPGPLOLZ-ARFHVFGLSA-N 2 0 325.884 2.051 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027043026 685735340 /nfs/dbraw/zinc/73/53/40/685735340.db2.gz UKGDVYICSRXCHV-RHSMWYFYSA-N 2 0 348.516 2.144 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978849427 693958439 /nfs/dbraw/zinc/95/84/39/693958439.db2.gz XIGGYBBWKMJNFY-LDLYASANSA-N 2 0 327.472 2.232 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262432071 686048383 /nfs/dbraw/zinc/04/83/83/686048383.db2.gz SPKUDCOBWDECGU-CENPHQPOSA-N 2 0 348.535 2.370 20 30 EEEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040091 686063663 /nfs/dbraw/zinc/06/36/63/686063663.db2.gz PCPAIPWKVHNAMS-BEFAXECRSA-N 2 0 337.483 2.049 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COCc1ccccc1 ZINC000303876274 686928671 /nfs/dbraw/zinc/92/86/71/686928671.db2.gz IBFWFPXRWLEZTC-FUHWJXTLSA-N 2 0 332.492 2.228 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC3CC(C)C3)CC2)CC1 ZINC000985805465 687734624 /nfs/dbraw/zinc/73/46/24/687734624.db2.gz YHVQCMJJZYMOSY-UHFFFAOYSA-N 2 0 345.531 2.301 20 30 EEEDRP C[NH+]=C(NCC[NH+]1CCCC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000179136119 690666548 /nfs/dbraw/zinc/66/65/48/690666548.db2.gz SRUTXCWNYGBIKM-MRXNPFEDSA-N 2 0 349.910 2.180 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978243850 693421699 /nfs/dbraw/zinc/42/16/99/693421699.db2.gz BIDQAOHRAJTABE-MKXGPGLRSA-N 2 0 333.520 2.225 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4nccn43)[C@@H]2C1 ZINC000978280553 693455455 /nfs/dbraw/zinc/45/54/55/693455455.db2.gz YXBGIZNYMHMVED-NXOAAHMSSA-N 2 0 328.460 2.021 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001481505886 1181590230 /nfs/dbraw/zinc/59/02/30/1181590230.db2.gz UXSRDWMTHKTDBB-HNNXBMFYSA-N 2 0 348.516 2.242 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001481942792 1183004438 /nfs/dbraw/zinc/00/44/38/1183004438.db2.gz UKGBSDQROJCICS-DZGCQCFKSA-N 2 0 346.313 2.110 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2F)[C@@H]1C ZINC001088630988 1188019281 /nfs/dbraw/zinc/01/92/81/1188019281.db2.gz LOBVPBYNTXWMHR-MNEFBYGVSA-N 2 0 343.446 2.002 20 30 EEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574919 1188189087 /nfs/dbraw/zinc/18/90/87/1188189087.db2.gz MBVSJCKHSABFOY-KRWDZBQOSA-N 2 0 331.504 2.409 20 30 EEEDRP C#CCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001101060217 1188525855 /nfs/dbraw/zinc/52/58/55/1188525855.db2.gz RUIRNWYNRZOPJQ-UHFFFAOYSA-N 2 0 331.460 2.243 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483227834 1189521886 /nfs/dbraw/zinc/52/18/86/1189521886.db2.gz VQCNQIABNJVUQV-INIZCTEOSA-N 2 0 342.487 2.417 20 30 EEEDRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001005180182 1194668277 /nfs/dbraw/zinc/66/82/77/1194668277.db2.gz RAZUNKCOKHJLFF-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001034046968 1195699045 /nfs/dbraw/zinc/69/90/45/1195699045.db2.gz WUFHOSRNJWNLNQ-IBGZPJMESA-N 2 0 331.504 2.221 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241146 1195991850 /nfs/dbraw/zinc/99/18/50/1195991850.db2.gz PBYFHNQHPROMQQ-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132931857 1200208284 /nfs/dbraw/zinc/20/82/84/1200208284.db2.gz DUNADLJKMVUIOJ-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001133117644 1200470425 /nfs/dbraw/zinc/47/04/25/1200470425.db2.gz NCERQQRIGPFXEV-PXNSSMCTSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCC(=C)C)C2)CC1 ZINC001133337686 1200761274 /nfs/dbraw/zinc/76/12/74/1200761274.db2.gz OYQHXTCNTZWSOW-ICSRJNTNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342198 1200766950 /nfs/dbraw/zinc/76/69/50/1200766950.db2.gz NOUNDSNXIKPODL-IEBWSBKVSA-N 2 0 341.499 2.459 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3C#N)C[C@H]2CC1 ZINC001275425350 1205354883 /nfs/dbraw/zinc/35/48/83/1205354883.db2.gz MXRLQSNSQBKARO-HDICACEKSA-N 2 0 344.478 2.403 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC000949115305 1209541806 /nfs/dbraw/zinc/54/18/06/1209541806.db2.gz ZKMCGOZCEJRACI-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)[NH+]1CCCC1)CCO2 ZINC000949154185 1209556337 /nfs/dbraw/zinc/55/63/37/1209556337.db2.gz SIAGNHPHCVSCDS-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000949358158 1209648928 /nfs/dbraw/zinc/64/89/28/1209648928.db2.gz FAWCBHJMCMFEMV-SFHVURJKSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568962 1215219837 /nfs/dbraw/zinc/21/98/37/1215219837.db2.gz SSHDHVHPUWDCPE-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000305701458 1216989981 /nfs/dbraw/zinc/98/99/81/1216989981.db2.gz PRBTWUIBFSVIDS-DOTOQJQBSA-N 2 0 332.492 2.262 20 30 EEEDRP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961027881 1217013579 /nfs/dbraw/zinc/01/35/79/1217013579.db2.gz LNOVWSCJJFPYHX-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266357 1217117914 /nfs/dbraw/zinc/11/79/14/1217117914.db2.gz XFBIBWNGUODSJE-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961405182 1217177547 /nfs/dbraw/zinc/17/75/47/1217177547.db2.gz JALGXNLWSIJLAO-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961764361 1217316699 /nfs/dbraw/zinc/31/66/99/1217316699.db2.gz NIWDGLPEYJOZOJ-PASDCYSWSA-N 2 0 337.483 2.212 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009679020 1223330525 /nfs/dbraw/zinc/33/05/25/1223330525.db2.gz BUQCLYWEOLLGCZ-MRXNPFEDSA-N 2 0 331.460 2.339 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818409 1226901886 /nfs/dbraw/zinc/90/18/86/1226901886.db2.gz DKQKHJUWKLJYFP-JXFKEZNVSA-N 2 0 349.494 2.193 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016984318 1227013668 /nfs/dbraw/zinc/01/36/68/1227013668.db2.gz YCAFTRXKLSBFSI-IBGZPJMESA-N 2 0 339.483 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@H](C)CC)CC3)CC1 ZINC001016987748 1227016024 /nfs/dbraw/zinc/01/60/24/1227016024.db2.gz ZYIZYIHXZQPBER-MJGOQNOKSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001020250862 1229583300 /nfs/dbraw/zinc/58/33/00/1229583300.db2.gz UZHDIFUWQXZFHT-BJLQDIEVSA-N 2 0 339.483 2.138 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020251242 1229583894 /nfs/dbraw/zinc/58/38/94/1229583894.db2.gz CCWCHZUXRYQRLG-OWYHZJEWSA-N 2 0 325.456 2.082 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020354868 1229642441 /nfs/dbraw/zinc/64/24/41/1229642441.db2.gz GVCPCMFKTLROAR-JOCQHMNTSA-N 2 0 349.232 2.093 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130425 1230338334 /nfs/dbraw/zinc/33/83/34/1230338334.db2.gz OVOSVPNWSBZJGR-WOJBJXKFSA-N 2 0 345.531 2.465 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039130422 1230338610 /nfs/dbraw/zinc/33/86/10/1230338610.db2.gz OVOSVPNWSBZJGR-PMACEKPBSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168017 1230392031 /nfs/dbraw/zinc/39/20/31/1230392031.db2.gz JVTJOVJKEURYLK-HXUWFJFHSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039172663 1230398002 /nfs/dbraw/zinc/39/80/02/1230398002.db2.gz AYHIIIGXKPCDDB-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040207300 1231103291 /nfs/dbraw/zinc/10/32/91/1231103291.db2.gz CCNBRGUZMRQOHS-UYAOXDASSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699940 1231340066 /nfs/dbraw/zinc/34/00/66/1231340066.db2.gz FNTDYSGROFLSJK-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001040741580 1231354609 /nfs/dbraw/zinc/35/46/09/1231354609.db2.gz WNDYCOCDCSXKGR-UHFFFAOYSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336102 1231511158 /nfs/dbraw/zinc/51/11/58/1231511158.db2.gz IVNPKDFDBBPBRF-LJQANCHMSA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432149 1231544429 /nfs/dbraw/zinc/54/44/29/1231544429.db2.gz OLUUBBGNEZOZKZ-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724350 1231662679 /nfs/dbraw/zinc/66/26/79/1231662679.db2.gz VLRLWSSGJAMNOZ-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCCC)[C@H]3C2)CC1 ZINC001042368216 1232049999 /nfs/dbraw/zinc/04/99/99/1232049999.db2.gz OVKZJCWIJQICNN-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001045070474 1233483248 /nfs/dbraw/zinc/48/32/48/1233483248.db2.gz HHIUCCRYQHUKQA-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001046556600 1234935556 /nfs/dbraw/zinc/93/55/56/1234935556.db2.gz JOHZZIHIGABVDR-AZUAARDMSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC=C(C)C)C3)CC1 ZINC001047209764 1235673406 /nfs/dbraw/zinc/67/34/06/1235673406.db2.gz WVFGKPLUBOGESX-IHPCNDPISA-N 2 0 343.515 2.267 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001047243744 1235734249 /nfs/dbraw/zinc/73/42/49/1235734249.db2.gz OGXACBFERGXAHG-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047245566 1235738918 /nfs/dbraw/zinc/73/89/18/1235738918.db2.gz ZVQAPUPPEJJLLD-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538559 1237909688 /nfs/dbraw/zinc/90/96/88/1237909688.db2.gz ZUKPDZIEAYBMFZ-OUUBHVDSSA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574254 1237998624 /nfs/dbraw/zinc/99/86/24/1237998624.db2.gz TZEVJWOZDJJABX-UHZRXMQZSA-N 2 0 343.515 2.386 20 30 EEEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821205 1238742361 /nfs/dbraw/zinc/74/23/61/1238742361.db2.gz VPHCZLNIMDNRBA-OKZBNKHCSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887613 1239143382 /nfs/dbraw/zinc/14/33/82/1239143382.db2.gz CZPCELQNVUMAKD-YVSFHVDLSA-N 2 0 337.895 2.146 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663810 1241813638 /nfs/dbraw/zinc/81/36/38/1241813638.db2.gz ODJPXUXNCWCCTQ-XUVXKRRUSA-N 2 0 343.515 2.482 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845358 1242400464 /nfs/dbraw/zinc/40/04/64/1242400464.db2.gz XXGQICYYJVKYPI-VQTJNVASSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC=C(C)C)CC1 ZINC001049909345 1242656545 /nfs/dbraw/zinc/65/65/45/1242656545.db2.gz ADXJDIKONQSRJC-UXHICEINSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(C)C)CC1 ZINC001049917892 1242703925 /nfs/dbraw/zinc/70/39/25/1242703925.db2.gz JBGKNIQMTWFCHQ-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001050694407 1244143642 /nfs/dbraw/zinc/14/36/42/1244143642.db2.gz YGIUYAULHSMNDK-MRXNPFEDSA-N 2 0 330.476 2.479 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313657 1245646360 /nfs/dbraw/zinc/64/63/60/1245646360.db2.gz HZOFSNJRDCHDKJ-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042206 1245750014 /nfs/dbraw/zinc/75/00/14/1245750014.db2.gz ADYXBCDPGYSQIM-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001101543075 1245945921 /nfs/dbraw/zinc/94/59/21/1245945921.db2.gz PLEHVVOPALBRFD-SJLPKXTDSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448179 1247309311 /nfs/dbraw/zinc/30/93/11/1247309311.db2.gz WNQCUSOMRZLCMY-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141594 1247505365 /nfs/dbraw/zinc/50/53/65/1247505365.db2.gz MPANBHZNFYJVEW-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054152807 1247541178 /nfs/dbraw/zinc/54/11/78/1247541178.db2.gz IEOMNVDUMIFNJX-FQEVSTJZSA-N 2 0 343.515 2.200 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209730 1247724640 /nfs/dbraw/zinc/72/46/40/1247724640.db2.gz WKZUGDGJKOYBPE-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245087 1247861910 /nfs/dbraw/zinc/86/19/10/1247861910.db2.gz OOIXFPCFXSAZCV-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071198755 1254045049 /nfs/dbraw/zinc/04/50/49/1254045049.db2.gz DLBRADNUUMBKAN-XLIONFOSSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676553 1254496289 /nfs/dbraw/zinc/49/62/89/1254496289.db2.gz MVACXSUICREYSK-GJZGRUSLSA-N 2 0 325.416 2.036 20 30 EEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676545 1254496649 /nfs/dbraw/zinc/49/66/49/1254496649.db2.gz MVACXSUICREYSK-CABCVRRESA-N 2 0 325.416 2.036 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828788 1254690788 /nfs/dbraw/zinc/69/07/88/1254690788.db2.gz UHZXBSWSFYFINO-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001099552905 1258201918 /nfs/dbraw/zinc/20/19/18/1258201918.db2.gz QDWYCDWVLUXTJA-VJANTYMQSA-N 2 0 333.520 2.462 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001100769771 1259240155 /nfs/dbraw/zinc/24/01/55/1259240155.db2.gz ZSTYIRVNILZKRP-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890078 1259398624 /nfs/dbraw/zinc/39/86/24/1259398624.db2.gz KTIGZUSZZZGBHR-UHFFFAOYSA-N 2 0 346.313 2.111 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037398 1259598244 /nfs/dbraw/zinc/59/82/44/1259598244.db2.gz LGKUWMUYRKWMMP-GPANFISMSA-N 2 0 327.900 2.344 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185780007 1278779457 /nfs/dbraw/zinc/77/94/57/1278779457.db2.gz ROZKOJQVYPXDNR-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001134763175 1278012749 /nfs/dbraw/zinc/01/27/49/1278012749.db2.gz OSVKHNSIQSQCOB-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001134762797 1278012851 /nfs/dbraw/zinc/01/28/51/1278012851.db2.gz HGUZSRFEZYHBSF-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203288781 1281304510 /nfs/dbraw/zinc/30/45/10/1281304510.db2.gz WSHWYFHQLTXAPF-FQEVSTJZSA-N 2 0 327.472 2.067 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC/C=C\CC)C2)CC1 ZINC001194246918 1282956811 /nfs/dbraw/zinc/95/68/11/1282956811.db2.gz SXAAOEGOKNYNOA-RURPWVQCSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198983992 1285460203 /nfs/dbraw/zinc/46/02/03/1285460203.db2.gz LLBNOFLRQJCLMX-FUHWJXTLSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C[NH+]1CCCCC1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001211436761 1295897651 /nfs/dbraw/zinc/89/76/51/1295897651.db2.gz WGFCTLZZKMJXFB-UHFFFAOYSA-N 2 0 325.416 2.276 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073634456 1297333281 /nfs/dbraw/zinc/33/32/81/1297333281.db2.gz SFLOMLFZJFHAMI-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)C1 ZINC001219757523 1298136613 /nfs/dbraw/zinc/13/66/13/1298136613.db2.gz PCUVBSQZHVJCQT-ICSRJNTNSA-N 2 0 339.483 2.485 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258018 1298988387 /nfs/dbraw/zinc/98/83/87/1298988387.db2.gz NJKULSUIYLKGJQ-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345732 1299064311 /nfs/dbraw/zinc/06/43/11/1299064311.db2.gz QRIWMJAVNCZDOH-MCIONIFRSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001099527167 1299189523 /nfs/dbraw/zinc/18/95/23/1299189523.db2.gz BXIFDXRIPKJFNS-VJANTYMQSA-N 2 0 345.531 2.156 20 30 EEEDRP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001223597897 1300187553 /nfs/dbraw/zinc/18/75/53/1300187553.db2.gz QLPJXOWWPUAGDY-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001223938206 1300339768 /nfs/dbraw/zinc/33/97/68/1300339768.db2.gz UMQJFUDFKQWJNJ-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507625 1301161148 /nfs/dbraw/zinc/16/11/48/1301161148.db2.gz HYYZOOQLMHVEEP-DBXWQHBBSA-N 2 0 341.499 2.171 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255002 1302176203 /nfs/dbraw/zinc/17/62/03/1302176203.db2.gz MRXHYBWAEMKEBG-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396778 1302905687 /nfs/dbraw/zinc/90/56/87/1302905687.db2.gz JHHXJSCWEXQISR-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCCC=C)C[C@H]2C)CC1 ZINC001103752450 1303295928 /nfs/dbraw/zinc/29/59/28/1303295928.db2.gz GWIIYLJZZRQGEV-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230605199 1303310926 /nfs/dbraw/zinc/31/09/26/1303310926.db2.gz NBNGNMUKSWPERA-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CC[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)Cc1cccnc1 ZINC001230932506 1303551330 /nfs/dbraw/zinc/55/13/30/1303551330.db2.gz XIDWYBVISVNOQR-UHFFFAOYSA-N 2 0 344.503 2.452 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001236434039 1305578169 /nfs/dbraw/zinc/57/81/69/1305578169.db2.gz NUKMZZVADYGIHI-UHFFFAOYSA-N 2 0 340.515 2.081 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729515 1305679820 /nfs/dbraw/zinc/67/98/20/1305679820.db2.gz IYSVMHUVTAOMIM-QGZVFWFLSA-N 2 0 337.508 2.082 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC[NH+]2CCCC2)cc1C#N ZINC001278060428 1305815755 /nfs/dbraw/zinc/81/57/55/1305815755.db2.gz SMNUCVMOIKHCHZ-YQQQUEKLSA-N 2 0 341.503 2.078 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122074536 1310214090 /nfs/dbraw/zinc/21/40/90/1310214090.db2.gz APUYFZHEUCAMNA-ROUUACIJSA-N 2 0 339.524 2.434 20 30 EEEDRP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480869 1316275885 /nfs/dbraw/zinc/27/58/85/1316275885.db2.gz QOVYPYMJTFGZRP-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150546770 1316296220 /nfs/dbraw/zinc/29/62/20/1316296220.db2.gz ICJNCJFIXWOWLG-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001150579102 1316304815 /nfs/dbraw/zinc/30/48/15/1316304815.db2.gz KCECUHMPJDNETR-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904165 1317377565 /nfs/dbraw/zinc/37/75/65/1317377565.db2.gz NGAAEWCLDWIJLC-MRXNPFEDSA-N 2 0 330.476 2.227 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252474020 1317612319 /nfs/dbraw/zinc/61/23/19/1317612319.db2.gz UYUHDYFAODIISD-VAMGGRTRSA-N 2 0 330.472 2.004 20 30 EEEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001252495339 1317616985 /nfs/dbraw/zinc/61/69/85/1317616985.db2.gz MFGLTGXHRKEVSU-SFHVURJKSA-N 2 0 336.451 2.191 20 30 EEEDRP C=CCC[C@@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252598769 1317644550 /nfs/dbraw/zinc/64/45/50/1317644550.db2.gz QUDHEOPYXWZHTG-GOSISDBHSA-N 2 0 332.492 2.054 20 30 EEEDRP C=CCCCCCC[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001253250394 1317808486 /nfs/dbraw/zinc/80/84/86/1317808486.db2.gz XYUCXXGFYXNFKZ-IBGZPJMESA-N 2 0 325.541 2.490 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC001158030574 1318977583 /nfs/dbraw/zinc/97/75/83/1318977583.db2.gz UTTNBCCKKLMEJG-OALUTQOASA-N 2 0 340.471 2.029 20 30 EEEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001158481056 1319262898 /nfs/dbraw/zinc/26/28/98/1319262898.db2.gz WVLVSYCJLFTYHJ-HXUWFJFHSA-N 2 0 341.499 2.107 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914293 1319503854 /nfs/dbraw/zinc/50/38/54/1319503854.db2.gz MBIMGMHAXYAXFH-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP N#Cc1cc(Nc2cccnc2N2CCC([NH3+])CC2)cc(C2C[NH2+]C2)c1 ZINC001159261248 1319710169 /nfs/dbraw/zinc/71/01/69/1319710169.db2.gz CJXQAILANWDEJG-UHFFFAOYSA-N 2 0 348.454 2.311 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001162905847 1320985488 /nfs/dbraw/zinc/98/54/88/1320985488.db2.gz AAQCTENQWQOVAX-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001162928537 1320990357 /nfs/dbraw/zinc/99/03/57/1320990357.db2.gz JZQHTRUREPTOKZ-GOSISDBHSA-N 2 0 329.488 2.175 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001164449216 1321381855 /nfs/dbraw/zinc/38/18/55/1321381855.db2.gz DXVKOXHTZSSEBA-IBGZPJMESA-N 2 0 342.487 2.276 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C12CCC2 ZINC001203359954 1321868998 /nfs/dbraw/zinc/86/89/98/1321868998.db2.gz VPCZNMPHXYKCMF-ZWKOTPCHSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325760 1322351570 /nfs/dbraw/zinc/35/15/70/1322351570.db2.gz GZRWNMYHWYWODM-RBUKOAKNSA-N 2 0 345.462 2.073 20 30 EEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415581 1323121461 /nfs/dbraw/zinc/12/14/61/1323121461.db2.gz BUBRABHKCNTASL-KRWDZBQOSA-N 2 0 327.488 2.461 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518874 1323173986 /nfs/dbraw/zinc/17/39/86/1323173986.db2.gz NUXYLJKELHWTOG-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678497 1323240302 /nfs/dbraw/zinc/24/03/02/1323240302.db2.gz KFWRWHRCZGVRJS-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206890255 1323673312 /nfs/dbraw/zinc/67/33/12/1323673312.db2.gz IPPAPZYJMLMJPA-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001207641400 1324062907 /nfs/dbraw/zinc/06/29/07/1324062907.db2.gz LANGWEZVXZZNAU-LZQZEXGQSA-N 2 0 342.487 2.081 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001209324728 1324902748 /nfs/dbraw/zinc/90/27/48/1324902748.db2.gz UJMCQCJCFCLKHH-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001339880328 1337089700 /nfs/dbraw/zinc/08/97/00/1337089700.db2.gz OFZFIXMLZWZNFX-HZPDHXFCSA-N 2 0 346.523 2.192 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076307 1337983614 /nfs/dbraw/zinc/98/36/14/1337983614.db2.gz JGZSDCKKFTUXCK-ROUUACIJSA-N 2 0 341.540 2.240 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCCO1 ZINC001200509950 1338377586 /nfs/dbraw/zinc/37/75/86/1338377586.db2.gz JGJDMDAHECZTEW-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001574925120 1343712385 /nfs/dbraw/zinc/71/23/85/1343712385.db2.gz IDDZOACQBSHNAY-KRWDZBQOSA-N 2 0 346.523 2.242 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001202218141 1368899068 /nfs/dbraw/zinc/89/90/68/1368899068.db2.gz ZUTLTOFKEHAINV-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)[NH+](C)C ZINC001367484532 1374178824 /nfs/dbraw/zinc/17/88/24/1374178824.db2.gz VVWNPRKDSIPUSD-MSOLQXFVSA-N 2 0 330.476 2.129 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001371867079 1375659278 /nfs/dbraw/zinc/65/92/78/1375659278.db2.gz GNYVCMRMBSSKQZ-MAUKXSAKSA-N 2 0 330.476 2.129 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001372674642 1376131851 /nfs/dbraw/zinc/13/18/51/1376131851.db2.gz VFIHCAXVZLZQPF-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001376524531 1378574114 /nfs/dbraw/zinc/57/41/14/1378574114.db2.gz CWWNLFRJKGCSBZ-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001376680482 1378673604 /nfs/dbraw/zinc/67/36/04/1378673604.db2.gz XTUKRHOOFBSYPY-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001392195098 1389887862 /nfs/dbraw/zinc/88/78/62/1389887862.db2.gz ZGWLYSDUMFDZRN-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001393876965 1390571901 /nfs/dbraw/zinc/57/19/01/1390571901.db2.gz AOGIZHBRVQUEOP-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001752920692 1406548646 /nfs/dbraw/zinc/54/86/46/1406548646.db2.gz FAPOUYUKIXZQCL-GOSISDBHSA-N 2 0 341.499 2.243 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001399408863 1395054728 /nfs/dbraw/zinc/05/47/28/1395054728.db2.gz XQGDYRZADMFALT-AWEZNQCLSA-N 2 0 346.313 2.111 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001401089941 1396926263 /nfs/dbraw/zinc/92/62/63/1396926263.db2.gz JSVFDOJPYWNABP-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001402833715 1398231047 /nfs/dbraw/zinc/23/10/47/1398231047.db2.gz WSXXSIBDRAEJKI-RUXDESIVSA-N 2 0 346.313 2.252 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001403270074 1399719643 /nfs/dbraw/zinc/71/96/43/1399719643.db2.gz MQSFLUQKVXYYBP-HNNXBMFYSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001423128571 1400438791 /nfs/dbraw/zinc/43/87/91/1400438791.db2.gz MFMZTHPHAGBMAM-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001424088271 1400907395 /nfs/dbraw/zinc/90/73/95/1400907395.db2.gz LILAOBJSHMYSFO-SHTZXODSSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001426170517 1401933647 /nfs/dbraw/zinc/93/36/47/1401933647.db2.gz XXXHGVWFGVXYKE-CYBMUJFWSA-N 2 0 348.329 2.357 20 30 EEEDRP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001755511036 1407562045 /nfs/dbraw/zinc/56/20/45/1407562045.db2.gz IJCDSPKEWPUUHU-INIZCTEOSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750169 1407808483 /nfs/dbraw/zinc/80/84/83/1407808483.db2.gz SFJCWACJOULKJA-HKUYNNGSSA-N 2 0 331.504 2.172 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112397248 1410896530 /nfs/dbraw/zinc/89/65/30/1410896530.db2.gz YRHWXMZWMCSITC-HBFSDRIKSA-N 2 0 333.520 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730152 1411043559 /nfs/dbraw/zinc/04/35/59/1411043559.db2.gz DDHNBQPZZDEOPD-ZFWWWQNUSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291167 758128656 /nfs/dbraw/zinc/12/86/56/758128656.db2.gz KPKOZEYWKHWTQG-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C(C)(C)[C@H]21 ZINC001087296343 761512749 /nfs/dbraw/zinc/51/27/49/761512749.db2.gz XRDQKAOSDIQBDV-SQNIBIBYSA-N 2 0 336.439 2.186 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317080 761613482 /nfs/dbraw/zinc/61/34/82/761613482.db2.gz CFLQZJZWHDWJHZ-QRVBRYPASA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415925 768912957 /nfs/dbraw/zinc/91/29/57/768912957.db2.gz FPMSTYAUYFVYSH-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666445 769941424 /nfs/dbraw/zinc/94/14/24/769941424.db2.gz BXEAQEDQTXVJOO-DLBZAZTESA-N 2 0 335.879 2.275 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001040849745 770369561 /nfs/dbraw/zinc/36/95/61/770369561.db2.gz WBNMFSFQXRDJHZ-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097387 783096434 /nfs/dbraw/zinc/09/64/34/783096434.db2.gz IFNUWEGNKMPKPS-UYAOXDASSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089652711 773850777 /nfs/dbraw/zinc/85/07/77/773850777.db2.gz KNXQZTWRHGLEPI-MOPGFXCFSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980151546 773958178 /nfs/dbraw/zinc/95/81/78/773958178.db2.gz CYELDJFRWLLEDN-RYQLBKOJSA-N 2 0 343.471 2.195 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC000980257500 774202157 /nfs/dbraw/zinc/20/21/57/774202157.db2.gz UQAHMWMFRFIAHS-WDSOQIARSA-N 2 0 339.483 2.212 20 30 EEEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])N(C)C2CC2)CCOCC1)c1ccccc1 ZINC000181480312 776733532 /nfs/dbraw/zinc/73/35/32/776733532.db2.gz CXBQSAWBPFIGSP-HNNXBMFYSA-N 2 0 330.476 2.295 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981220264 776834482 /nfs/dbraw/zinc/83/44/82/776834482.db2.gz AWHOBTGGMVPGGW-HOTGVXAUSA-N 2 0 339.443 2.474 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334712 777190655 /nfs/dbraw/zinc/19/06/55/777190655.db2.gz ODNWTOJWSIAWIV-GJZGRUSLSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957604 778657926 /nfs/dbraw/zinc/65/79/26/778657926.db2.gz NIBRKJKTTYKXKF-SFHVURJKSA-N 2 0 325.472 2.309 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cnc4c3CCCC4)C[C@@]2(C)C1 ZINC000982376385 779913548 /nfs/dbraw/zinc/91/35/48/779913548.db2.gz IZMLASFRHAEIPX-BGYRXZFFSA-N 2 0 342.487 2.118 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087523021 781663683 /nfs/dbraw/zinc/66/36/83/781663683.db2.gz GQAORTXJKTZQKX-IPMKNSEASA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101078 781723380 /nfs/dbraw/zinc/72/33/80/781723380.db2.gz QIHCBDREBJYNTF-GDBMZVCRSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575044 783901380 /nfs/dbraw/zinc/90/13/80/783901380.db2.gz OMNINOIJEMVWLJ-RBUKOAKNSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213625 784134199 /nfs/dbraw/zinc/13/41/99/784134199.db2.gz UFHSKXZCTKCULW-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035237401 784157843 /nfs/dbraw/zinc/15/78/43/784157843.db2.gz JQLVWSKZMWMWKF-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135857324 784638234 /nfs/dbraw/zinc/63/82/34/784638234.db2.gz GTRXGEZLBDCXDK-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135927600 784809472 /nfs/dbraw/zinc/80/94/72/784809472.db2.gz JBUYDPHWCVJMPK-DLBZAZTESA-N 2 0 329.529 2.408 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937861 784828750 /nfs/dbraw/zinc/82/87/50/784828750.db2.gz AXLCPLWJFSZXCW-ZWKOTPCHSA-N 2 0 339.483 2.007 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1nc2ccccc2s1 ZINC000170906276 791135031 /nfs/dbraw/zinc/13/50/31/791135031.db2.gz FPKODACWCCFYAP-CYBMUJFWSA-N 2 0 346.504 2.097 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001127066874 788317116 /nfs/dbraw/zinc/31/71/16/788317116.db2.gz UHJOFXJMMGTQGS-GOSISDBHSA-N 2 0 347.890 2.270 20 30 EEEDRP C=CCC[C@@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000923397303 789493445 /nfs/dbraw/zinc/49/34/45/789493445.db2.gz KWLVQSOSMNTUJV-QGZVFWFLSA-N 2 0 332.492 2.383 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089910080 789918921 /nfs/dbraw/zinc/91/89/21/789918921.db2.gz YZBFMESIPIYBRC-QAETUUGQSA-N 2 0 337.895 2.004 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001146336829 791180597 /nfs/dbraw/zinc/18/05/97/791180597.db2.gz BEVXRCPZLXJNGE-KBPBESRZSA-N 2 0 334.489 2.088 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590852 791360296 /nfs/dbraw/zinc/36/02/96/791360296.db2.gz CEMPJLRIXGALOY-HOTGVXAUSA-N 2 0 330.476 2.271 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593170 791363184 /nfs/dbraw/zinc/36/31/84/791363184.db2.gz OHKUUJCKXLMDDT-HUUCEWRRSA-N 2 0 348.466 2.410 20 30 EEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000998043834 791874631 /nfs/dbraw/zinc/87/46/31/791874631.db2.gz BZKZTVSFJMEFCI-MRXNPFEDSA-N 2 0 346.475 2.076 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032640923 793368798 /nfs/dbraw/zinc/36/87/98/793368798.db2.gz WORHNWSJRVDPHO-HAGHYFMRSA-N 2 0 339.483 2.193 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153151 793746484 /nfs/dbraw/zinc/74/64/84/793746484.db2.gz GSBVRRQELZVHTB-KRWDZBQOSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992400447 793964968 /nfs/dbraw/zinc/96/49/68/793964968.db2.gz DQLCHFIMNDAPSW-QUCCMNQESA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676851 794223705 /nfs/dbraw/zinc/22/37/05/794223705.db2.gz MXUVANBKAQFMMN-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000999391931 794404425 /nfs/dbraw/zinc/40/44/25/794404425.db2.gz OBMZKKVNHWFZKJ-OALUTQOASA-N 2 0 329.488 2.165 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992512501 794463006 /nfs/dbraw/zinc/46/30/06/794463006.db2.gz STRVBZQAWXECJM-UYAOXDASSA-N 2 0 325.456 2.108 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@H]12 ZINC000992518792 794486457 /nfs/dbraw/zinc/48/64/57/794486457.db2.gz SMDMLAPUAOTUKT-ICSRJNTNSA-N 2 0 343.471 2.481 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC(C)C3)C[C@H]2C)CC1 ZINC001093223668 794878341 /nfs/dbraw/zinc/87/83/41/794878341.db2.gz GHUMQTBYAYFJCD-CBJHCWRLSA-N 2 0 345.531 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001093224140 794879304 /nfs/dbraw/zinc/87/93/04/794879304.db2.gz LRXGTDXVPCNSKC-IEBWSBKVSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198503 795219696 /nfs/dbraw/zinc/21/96/96/795219696.db2.gz CSYGYJRZUASTKV-YUELXQCFSA-N 2 0 333.879 2.103 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992589 795245067 /nfs/dbraw/zinc/24/50/67/795245067.db2.gz ADPVOFXHBRDYGI-SJLPKXTDSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079847497 795317383 /nfs/dbraw/zinc/31/73/83/795317383.db2.gz IQPOKRWOWRAHPG-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106472355 795664306 /nfs/dbraw/zinc/66/43/06/795664306.db2.gz UYRCZIIGGMQIHJ-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574378 795862210 /nfs/dbraw/zinc/86/22/10/795862210.db2.gz HRNAVELCEIMQJY-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497467 796290106 /nfs/dbraw/zinc/29/01/06/796290106.db2.gz ZMYAGUVRSXMDCZ-QKNQBKEWSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902321 796439993 /nfs/dbraw/zinc/43/99/93/796439993.db2.gz IYXONHUYPABLMX-QUCCMNQESA-N 2 0 339.483 2.308 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902502 796440730 /nfs/dbraw/zinc/44/07/30/796440730.db2.gz LLWYTPJILQQRMG-WOJBJXKFSA-N 2 0 339.483 2.308 20 30 EEEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001106779201 796522219 /nfs/dbraw/zinc/52/22/19/796522219.db2.gz HJJTUOLPQDLMEJ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667295 796821922 /nfs/dbraw/zinc/82/19/22/796821922.db2.gz BCOGCQQZZGXCFV-HUUCEWRRSA-N 2 0 337.895 2.384 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726000 796886096 /nfs/dbraw/zinc/88/60/96/796886096.db2.gz QALHYNMPRPNJAR-GJZGRUSLSA-N 2 0 339.911 2.488 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078717889 796909778 /nfs/dbraw/zinc/90/97/78/796909778.db2.gz HTDPUDAURUOBIQ-CABCVRRESA-N 2 0 325.884 2.098 20 30 EEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](OC)C1 ZINC001082319654 797447208 /nfs/dbraw/zinc/44/72/08/797447208.db2.gz DHPUQRVHMKUSMP-FGTMMUONSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994462187 798043544 /nfs/dbraw/zinc/04/35/44/798043544.db2.gz KNRQMJRUEARQOJ-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001176926168 798631130 /nfs/dbraw/zinc/63/11/30/798631130.db2.gz HUIQTFIUXKNTGM-HXUWFJFHSA-N 2 0 339.483 2.115 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968428 800217627 /nfs/dbraw/zinc/21/76/27/800217627.db2.gz VCXDXHYZQKVXTG-ICSRJNTNSA-N 2 0 341.499 2.349 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001180279136 800355171 /nfs/dbraw/zinc/35/51/71/800355171.db2.gz YBLXHUJLYMONGG-SFHVURJKSA-N 2 0 339.524 2.187 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001182486150 801225156 /nfs/dbraw/zinc/22/51/56/801225156.db2.gz LASDTEWAYXZKHH-OXQOHEQNSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806527 801356023 /nfs/dbraw/zinc/35/60/23/801356023.db2.gz IVIHGCXNSRRYCU-QWFCFKBJSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001183581495 801658554 /nfs/dbraw/zinc/65/85/54/801658554.db2.gz KWEHPSRAABSEHP-QZTJIDSGSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004460845 802131530 /nfs/dbraw/zinc/13/15/30/802131530.db2.gz XIZZISVKSBKRMA-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001185072714 802336879 /nfs/dbraw/zinc/33/68/79/802336879.db2.gz JOFZAOJTCHDZHH-CABCVRRESA-N 2 0 348.516 2.146 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CCF)CC2)CC1 ZINC001004618140 802494772 /nfs/dbraw/zinc/49/47/72/802494772.db2.gz BLWPPRPMCUMSCI-LJQANCHMSA-N 2 0 349.494 2.004 20 30 EEEDRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033197536 803044197 /nfs/dbraw/zinc/04/41/97/803044197.db2.gz IEJBGLJLBJBAAC-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419765 803510801 /nfs/dbraw/zinc/51/08/01/803510801.db2.gz QRFUWGIUTBADPU-IBGZPJMESA-N 2 0 337.508 2.036 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001169941397 804227484 /nfs/dbraw/zinc/22/74/84/804227484.db2.gz RFVSJTXRSRYFIG-UHFFFAOYSA-N 2 0 348.516 2.336 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001129841833 811005071 /nfs/dbraw/zinc/00/50/71/811005071.db2.gz PTHUHPNAOCBWBZ-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438376681 1090856500 /nfs/dbraw/zinc/85/65/00/1090856500.db2.gz UQRWHJZWTJXWIV-AEFFLSMTSA-N 2 0 348.466 2.268 20 30 EEEDRP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001438729089 1091266683 /nfs/dbraw/zinc/26/66/83/1091266683.db2.gz VCAKENSMTGUWCM-RBUKOAKNSA-N 2 0 342.487 2.273 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001438958477 1091650622 /nfs/dbraw/zinc/65/06/22/1091650622.db2.gz GMJRSQXJOWPVAV-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)C1 ZINC001440339830 1093487115 /nfs/dbraw/zinc/48/71/15/1093487115.db2.gz NZBAZDYIRKJUTL-AWEZNQCLSA-N 2 0 346.500 2.090 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001440359677 1093519944 /nfs/dbraw/zinc/51/99/44/1093519944.db2.gz PBGZAVYIWRUEDY-BZUAXINKSA-N 2 0 327.900 2.488 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443841065 1098354051 /nfs/dbraw/zinc/35/40/51/1098354051.db2.gz PHBRQHSGCKIVQF-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]Cc1ccccc1C#N ZINC001495771086 1101569355 /nfs/dbraw/zinc/56/93/55/1101569355.db2.gz NIIJIZBZOBFMOH-KRWDZBQOSA-N 2 0 342.487 2.132 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001447319645 1102441582 /nfs/dbraw/zinc/44/15/82/1102441582.db2.gz HTBDQZNGXSTAJC-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001507129888 1115124095 /nfs/dbraw/zinc/12/40/95/1115124095.db2.gz YWXHOXWJFOBZDS-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1C#N ZINC000191580726 239196893 /nfs/dbraw/zinc/19/68/93/239196893.db2.gz LOOQWMYXRDZIMA-LJQANCHMSA-N 2 0 338.455 2.143 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@H]1CC ZINC001087630532 781976614 /nfs/dbraw/zinc/97/66/14/781976614.db2.gz NIEVXBRFPFQLQE-QILLFSRXSA-N 2 0 330.476 2.368 20 30 EEEDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000577484853 320257891 /nfs/dbraw/zinc/25/78/91/320257891.db2.gz MXESAZQRSWJDMO-LJQANCHMSA-N 2 0 345.487 2.400 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)CC1 ZINC000491148955 468309162 /nfs/dbraw/zinc/30/91/62/468309162.db2.gz YFGRSFYESNCWIV-UHFFFAOYSA-N 2 0 333.520 2.445 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779601 463251049 /nfs/dbraw/zinc/25/10/49/463251049.db2.gz YWMZMSKWHAPRCP-MJGOQNOKSA-N 2 0 340.471 2.349 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261803801 463866309 /nfs/dbraw/zinc/86/63/09/463866309.db2.gz SAUHLQPFXHCOFG-GDBMZVCRSA-N 2 0 349.910 2.035 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185885726 463898337 /nfs/dbraw/zinc/89/83/37/463898337.db2.gz NUIISCNAHIWOFJ-AEFFLSMTSA-N 2 0 328.460 2.150 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1sccc1Br ZINC000262001145 463923397 /nfs/dbraw/zinc/92/33/97/463923397.db2.gz PVGMERNINRRXIQ-JTQLQIEISA-N 2 0 345.310 2.399 20 30 EEEDRP C=CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262046660 463933996 /nfs/dbraw/zinc/93/39/96/463933996.db2.gz ZCPSPVMAVALJMT-HOTGVXAUSA-N 2 0 326.448 2.211 20 30 EEEDRP CC[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262355770 464009269 /nfs/dbraw/zinc/00/92/69/464009269.db2.gz FWSOWOCUHJVVQP-HNNXBMFYSA-N 2 0 333.505 2.172 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000264086939 464281105 /nfs/dbraw/zinc/28/11/05/464281105.db2.gz JTIKIYXMKKQRPV-HNNXBMFYSA-N 2 0 348.491 2.229 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264086353 464281253 /nfs/dbraw/zinc/28/12/53/464281253.db2.gz JNLJVNKBORDYBF-UHFFFAOYSA-N 2 0 343.519 2.065 20 30 EEEDRP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264791061 464467348 /nfs/dbraw/zinc/46/73/48/464467348.db2.gz HHJYPHZECLOCKY-LJQANCHMSA-N 2 0 345.535 2.076 20 30 EEEDRP C=CCN(CCc1ccco1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000272592533 464672890 /nfs/dbraw/zinc/67/28/90/464672890.db2.gz OFECTVKRHZYVQR-UHFFFAOYSA-N 2 0 348.491 2.046 20 30 EEEDRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1C#N ZINC000282460523 464827418 /nfs/dbraw/zinc/82/74/18/464827418.db2.gz VQALQSNHJHBKEY-UHFFFAOYSA-N 2 0 329.444 2.111 20 30 EEEDRP CC(C)(C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918748 468433552 /nfs/dbraw/zinc/43/35/52/468433552.db2.gz HRTUHDQKMUWXIA-QGZVFWFLSA-N 2 0 328.460 2.012 20 30 EEEDRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918780 468433687 /nfs/dbraw/zinc/43/36/87/468433687.db2.gz IVTUCDHGHMANNP-RBUKOAKNSA-N 2 0 340.471 2.027 20 30 EEEDRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919302 468433848 /nfs/dbraw/zinc/43/38/48/468433848.db2.gz RUMOQSPPHUHPGP-UHFFFAOYSA-N 2 0 342.487 2.404 20 30 EEEDRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593919112 468434021 /nfs/dbraw/zinc/43/40/21/468434021.db2.gz OTJMWKANYRLJJN-DNVCBOLYSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000343576327 465529779 /nfs/dbraw/zinc/52/97/79/465529779.db2.gz GSYYCSVDZZTFJF-VQIMIIECSA-N 2 0 336.524 2.483 20 30 EEEDRP CC(C)(C)CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330268820 465591231 /nfs/dbraw/zinc/59/12/31/465591231.db2.gz IWSUHMGKXKLTHQ-HNNXBMFYSA-N 2 0 333.480 2.166 20 30 EEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330419512 465652089 /nfs/dbraw/zinc/65/20/89/465652089.db2.gz GACIKRVHGXBDRX-DOTOQJQBSA-N 2 0 334.508 2.095 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000417058138 466767749 /nfs/dbraw/zinc/76/77/49/466767749.db2.gz DQHGYRWONBYHDN-ZWKOTPCHSA-N 2 0 336.524 2.455 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000424156249 466992006 /nfs/dbraw/zinc/99/20/06/466992006.db2.gz OFHLBTYFLVRWHQ-GOEBONIOSA-N 2 0 334.489 2.097 20 30 EEEDRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424153244 466992046 /nfs/dbraw/zinc/99/20/46/466992046.db2.gz JVTVZUNSRIATPI-QAPCUYQASA-N 2 0 328.460 2.349 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000374172787 467022950 /nfs/dbraw/zinc/02/29/50/467022950.db2.gz LWTSRGNKQGQCBG-SFHVURJKSA-N 2 0 343.471 2.106 20 30 EEEDRP N#Cc1ncn(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602654508 468990902 /nfs/dbraw/zinc/99/09/02/468990902.db2.gz MTPLTISVMMMBDV-AEFFLSMTSA-N 2 0 336.443 2.107 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000562995549 469128232 /nfs/dbraw/zinc/12/82/32/469128232.db2.gz KUUUIEPOBBHFIF-SFHVURJKSA-N 2 0 331.460 2.010 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1cccc(C#N)c1 ZINC000603109443 469267191 /nfs/dbraw/zinc/26/71/91/469267191.db2.gz BBVZBRYFUXMWLT-UHFFFAOYSA-N 2 0 342.487 2.372 20 30 EEEDRP C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611564139 469280742 /nfs/dbraw/zinc/28/07/42/469280742.db2.gz NGOBTFDOPDCZBB-PKOBYXMFSA-N 2 0 326.488 2.475 20 30 EEEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000104158035 528196862 /nfs/dbraw/zinc/19/68/62/528196862.db2.gz NRWOFPXKDCIEPQ-IBGZPJMESA-N 3 0 345.535 2.417 20 30 EEEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000131365027 528250891 /nfs/dbraw/zinc/25/08/91/528250891.db2.gz ZYZHNYVEUNDZEI-GOSISDBHSA-N 2 0 334.508 2.192 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)CC)CC1 ZINC001021469465 676117768 /nfs/dbraw/zinc/11/77/68/676117768.db2.gz DEARVPDTMNERIO-VOBGVNJCSA-N 2 0 345.531 2.489 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138976 675643094 /nfs/dbraw/zinc/64/30/94/675643094.db2.gz ZNKGTVYZMDSJLH-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682540 676338429 /nfs/dbraw/zinc/33/84/29/676338429.db2.gz RHAIRVWNMVYGLA-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(=C)C)CC[C@@H]32)CC1 ZINC001021739682 676398499 /nfs/dbraw/zinc/39/84/99/676398499.db2.gz LWIDPWZXKYTSMU-PMACEKPBSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCCC)CC[C@H]32)CC1 ZINC001021740397 676399659 /nfs/dbraw/zinc/39/96/59/676399659.db2.gz SMXFXQIQZGXODX-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000971734912 676766174 /nfs/dbraw/zinc/76/61/74/676766174.db2.gz IRZUKZYKGZAKDR-MOPGFXCFSA-N 2 0 342.487 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001023127950 679134788 /nfs/dbraw/zinc/13/47/88/679134788.db2.gz KIVBTXNUKUNDAV-KDURUIRLSA-N 2 0 343.515 2.149 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001024162606 679829273 /nfs/dbraw/zinc/82/92/73/679829273.db2.gz XLVPXJYDIOFXHP-OALUTQOASA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@@H](C(C)C)C2)C1 ZINC000261779249 681187392 /nfs/dbraw/zinc/18/73/92/681187392.db2.gz PBAOZHWUPLEDSI-HZPDHXFCSA-N 2 0 326.554 2.367 20 30 EEEDRP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833416 681356303 /nfs/dbraw/zinc/35/63/03/681356303.db2.gz KHENMGUESMGZAO-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814638 681462221 /nfs/dbraw/zinc/46/22/21/681462221.db2.gz UTQMFWQIVFQZPW-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)s1 ZINC000261969629 682697311 /nfs/dbraw/zinc/69/73/11/682697311.db2.gz CQWYUGYUHLSMPA-SNVBAGLBSA-N 2 0 345.310 2.399 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC000992746404 683362203 /nfs/dbraw/zinc/36/22/03/683362203.db2.gz WPMCTGQOFSOTCD-YTQUADARSA-N 2 0 345.531 2.489 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682173 693950319 /nfs/dbraw/zinc/95/03/19/693950319.db2.gz LEKCPYCGLXBABN-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332421 687514639 /nfs/dbraw/zinc/51/46/39/687514639.db2.gz OZOXLSHKSUSYFL-OALUTQOASA-N 2 0 340.471 2.075 20 30 EEEDRP C#CCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989774982 692292957 /nfs/dbraw/zinc/29/29/57/692292957.db2.gz JOQAAOSRQOZKGC-UHFFFAOYSA-N 2 0 331.460 2.293 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554350 1193145566 /nfs/dbraw/zinc/14/55/66/1193145566.db2.gz WPOAEPISFQDVSF-HZPDHXFCSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC000945179427 1193414758 /nfs/dbraw/zinc/41/47/58/1193414758.db2.gz IVHBEEJNZSQQTR-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168147333 1187025963 /nfs/dbraw/zinc/02/59/63/1187025963.db2.gz QNNFSHBNKKAHCS-UHFFFAOYSA-N 2 0 340.471 2.030 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518507 1188135874 /nfs/dbraw/zinc/13/58/74/1188135874.db2.gz ZWEWMLNVBHCQMV-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576480 1188190553 /nfs/dbraw/zinc/19/05/53/1188190553.db2.gz FHRVPTDMLBKJEK-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737156 1188397950 /nfs/dbraw/zinc/39/79/50/1188397950.db2.gz DQQWOTAYXNEBJW-ZBFHGGJFSA-N 2 0 325.416 2.036 20 30 EEEDRP C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409591149 1190072584 /nfs/dbraw/zinc/07/25/84/1190072584.db2.gz SZHGRRMABPYULQ-ZDUSSCGKSA-N 2 0 333.823 2.070 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001034045466 1195697040 /nfs/dbraw/zinc/69/70/40/1195697040.db2.gz JHSOXBXYKLJCKD-MJGOQNOKSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240419 1195990749 /nfs/dbraw/zinc/99/07/49/1195990749.db2.gz IEQXIVIHTFFDJV-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001034964620 1196945223 /nfs/dbraw/zinc/94/52/23/1196945223.db2.gz UBLZIIKHXFGZKX-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001132266755 1199505851 /nfs/dbraw/zinc/50/58/51/1199505851.db2.gz ZQKXQEPGDMHCQP-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876756802 1199759362 /nfs/dbraw/zinc/75/93/62/1199759362.db2.gz YUDMOCNDTDCMLL-HNNXBMFYSA-N 2 0 341.377 2.472 20 30 EEEDRP C[NH+](C)CCN1C(=O)C2(CCN(CCC#N)CC2)[C@H]1c1ccccc1 ZINC001274031032 1204336918 /nfs/dbraw/zinc/33/69/18/1204336918.db2.gz FTDIGCYCUNCAAZ-GOSISDBHSA-N 2 0 340.471 2.127 20 30 EEEDRP C[NH+](C)CCN1c2ccccc2C2(CC[NH+](CCCC#N)CC2)C1=O ZINC001274040825 1204341920 /nfs/dbraw/zinc/34/19/20/1204341920.db2.gz XUVSRDXMOMWLOK-UHFFFAOYSA-N 2 0 340.471 2.232 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(F)(F)F ZINC000104158614 1204610597 /nfs/dbraw/zinc/61/05/97/1204610597.db2.gz JIWSLJOZZGRMTJ-ZDUSSCGKSA-N 2 0 344.381 2.474 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001276090899 1205775067 /nfs/dbraw/zinc/77/50/67/1205775067.db2.gz HMUQUDXEBXZBOH-AZUAARDMSA-N 2 0 329.488 2.319 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957597418 1215243381 /nfs/dbraw/zinc/24/33/81/1215243381.db2.gz SISYLMYVHQAPJG-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603432 1215248392 /nfs/dbraw/zinc/24/83/92/1215248392.db2.gz SDPCVGYLYOKEMR-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961375588 1217164086 /nfs/dbraw/zinc/16/40/86/1217164086.db2.gz PAIMGGGXFDDPII-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337103 1217531315 /nfs/dbraw/zinc/53/13/15/1217531315.db2.gz KTOCKEANZWYYQJ-QZTJIDSGSA-N 2 0 342.487 2.079 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000963909102 1218119568 /nfs/dbraw/zinc/11/95/68/1218119568.db2.gz SHEFJXSJBJQBLH-UHFFFAOYSA-N 2 0 331.485 2.074 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887677 1221647205 /nfs/dbraw/zinc/64/72/05/1221647205.db2.gz JSQDRQPNIOILJI-MOPGFXCFSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968915804 1221667124 /nfs/dbraw/zinc/66/71/24/1221667124.db2.gz RCRHGLHHYFHDDI-GDBMZVCRSA-N 2 0 325.884 2.336 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001016725450 1226817929 /nfs/dbraw/zinc/81/79/29/1226817929.db2.gz IBYSPICCQGAHAW-KRWDZBQOSA-N 2 0 337.427 2.038 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916589 1226968807 /nfs/dbraw/zinc/96/88/07/1226968807.db2.gz UMGLKGREGXLPIX-GOSISDBHSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039134187 1230345093 /nfs/dbraw/zinc/34/50/93/1230345093.db2.gz XSLYDPBDCSRZLW-BHIYHBOVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174249 1230400723 /nfs/dbraw/zinc/40/07/23/1230400723.db2.gz PTNYMBSUMVZFHC-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039282791 1230507536 /nfs/dbraw/zinc/50/75/36/1230507536.db2.gz UXWPYPOJIVACBM-XVLXNVKGSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349179 1231181416 /nfs/dbraw/zinc/18/14/16/1231181416.db2.gz WMUDSZGWWBRRHU-FPOVZHCZSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336008 1231510995 /nfs/dbraw/zinc/51/09/95/1231510995.db2.gz GKTFFLQWSUUXRY-LJQANCHMSA-N 2 0 345.512 2.371 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268418 1231993892 /nfs/dbraw/zinc/99/38/92/1231993892.db2.gz CZVMYDDZFFSTCR-ICSRJNTNSA-N 2 0 339.483 2.308 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859016 1233322191 /nfs/dbraw/zinc/32/21/91/1233322191.db2.gz YVEMNPJVIVMUOF-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001046849806 1235247455 /nfs/dbraw/zinc/24/74/55/1235247455.db2.gz JJAADAALBRITQJ-NRFANRHFSA-N 2 0 343.515 2.413 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046965881 1235366340 /nfs/dbraw/zinc/36/63/40/1235366340.db2.gz FBMZDTGMYRYTNW-JYJNAYRXSA-N 2 0 343.462 2.366 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047243412 1235732761 /nfs/dbraw/zinc/73/27/61/1235732761.db2.gz LBHKRQAKVQRDCT-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257825 1235763043 /nfs/dbraw/zinc/76/30/43/1235763043.db2.gz UWPPXXYRUWCAKG-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047265974 1235779770 /nfs/dbraw/zinc/77/97/70/1235779770.db2.gz NATNIHCOXWHPCK-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001049001547 1239711895 /nfs/dbraw/zinc/71/18/95/1239711895.db2.gz YOUWANVUIIOWRJ-GBESFXJTSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094997 1239983791 /nfs/dbraw/zinc/98/37/91/1239983791.db2.gz SGELTMXTKSOYPL-ZACQAIPSSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049160716 1240153046 /nfs/dbraw/zinc/15/30/46/1240153046.db2.gz HWSBUYAVVAAFOI-KDURUIRLSA-N 2 0 331.504 2.075 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000593742 1240561234 /nfs/dbraw/zinc/56/12/34/1240561234.db2.gz RLWIXGFQOSLQPO-MRXNPFEDSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(C)C)CC1 ZINC001049917894 1242704044 /nfs/dbraw/zinc/70/40/44/1242704044.db2.gz JBGKNIQMTWFCHQ-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC2CC2)CC1 ZINC001049922321 1242722730 /nfs/dbraw/zinc/72/27/30/1242722730.db2.gz YTHKXGSOYCPVPC-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207236 1243121878 /nfs/dbraw/zinc/12/18/78/1243121878.db2.gz HCPIHYGOBLLZQZ-VQTJNVASSA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701487 1244783689 /nfs/dbraw/zinc/78/36/89/1244783689.db2.gz FPNQQMZAKUSXAH-APWZRJJASA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101392 1245909505 /nfs/dbraw/zinc/90/95/05/1245909505.db2.gz NJZSZJHKDDQQNZ-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160018 1247565655 /nfs/dbraw/zinc/56/56/55/1247565655.db2.gz SRBFWRGNMAIEFV-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054245532 1247860277 /nfs/dbraw/zinc/86/02/77/1247860277.db2.gz VDWRXNJZNQVTMR-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958558 1278092291 /nfs/dbraw/zinc/09/22/91/1278092291.db2.gz BRYDLOSYXJQESU-CABCVRRESA-N 2 0 327.432 2.330 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299693 1278316823 /nfs/dbraw/zinc/31/68/23/1278316823.db2.gz YSFVWKRHYWOEKY-ROUUACIJSA-N 2 0 341.499 2.253 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001135299691 1278317122 /nfs/dbraw/zinc/31/71/22/1278317122.db2.gz YSFVWKRHYWOEKY-MSOLQXFVSA-N 2 0 341.499 2.253 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001135436839 1278318987 /nfs/dbraw/zinc/31/89/87/1278318987.db2.gz BSXYAKNVZMRAPR-UHFFFAOYSA-N 2 0 347.478 2.395 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001185468188 1278654188 /nfs/dbraw/zinc/65/41/88/1278654188.db2.gz AKQBCALSNYZQPN-APWZRJJASA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCC=C)[C@@H](C)C2)CC1 ZINC001185727644 1278766585 /nfs/dbraw/zinc/76/65/85/1278766585.db2.gz BABPIPRHCWYMTM-ICSRJNTNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185742058 1278769003 /nfs/dbraw/zinc/76/90/03/1278769003.db2.gz RBQGNHSPEJYEAB-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001186093905 1278949145 /nfs/dbraw/zinc/94/91/45/1278949145.db2.gz FKIGOCXATZXVAX-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001190818098 1281090287 /nfs/dbraw/zinc/09/02/87/1281090287.db2.gz OBTPGNDOPLUPDE-ROUUACIJSA-N 2 0 348.491 2.206 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC/C=C\CC)C2)CC1 ZINC001194246915 1282956862 /nfs/dbraw/zinc/95/68/62/1282956862.db2.gz SXAAOEGOKNYNOA-LIXSYLKWSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558386 1289665185 /nfs/dbraw/zinc/66/51/85/1289665185.db2.gz OCGRUDQEADQUTN-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616735 1291638718 /nfs/dbraw/zinc/63/87/18/1291638718.db2.gz OWDYYMHTKJZSFB-VQHPVUNQSA-N 2 0 325.472 2.354 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000113321500 1293213632 /nfs/dbraw/zinc/21/36/32/1293213632.db2.gz CYLCBWYKSAWXCD-UHFFFAOYSA-N 2 0 329.488 2.206 20 30 EEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921741 1296223220 /nfs/dbraw/zinc/22/32/20/1296223220.db2.gz JKVRCTLLJYIUOI-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001215122159 1296728415 /nfs/dbraw/zinc/72/84/15/1296728415.db2.gz LOWGDTQBDVTUSA-CRAIPNDOSA-N 2 0 339.443 2.284 20 30 EEEDRP N#Cc1c2c(sc1NC(=O)CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[NH2+]CC2 ZINC001218551909 1297708539 /nfs/dbraw/zinc/70/85/39/1297708539.db2.gz CWPHEEVLUFYUNX-YOGCLGLASA-N 2 0 330.457 2.125 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099100968 1298895138 /nfs/dbraw/zinc/89/51/38/1298895138.db2.gz AQILYVMSIYJVPD-ICSRJNTNSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)CC)[C@@H]2C1 ZINC001221942428 1299213548 /nfs/dbraw/zinc/21/35/48/1299213548.db2.gz LLAUMYQOUXHXPN-QRVBRYPASA-N 2 0 327.472 2.398 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190194 1300531731 /nfs/dbraw/zinc/53/17/31/1300531731.db2.gz VYKDHDYZNVYFBS-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001228032825 1302065036 /nfs/dbraw/zinc/06/50/36/1302065036.db2.gz MCPIAAIUDJEAMS-JKSUJKDBSA-N 2 0 330.476 2.381 20 30 EEEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229716457 1302923188 /nfs/dbraw/zinc/92/31/88/1302923188.db2.gz JOWFOJPNZYIPRJ-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)C1 ZINC001230138090 1303082671 /nfs/dbraw/zinc/08/26/71/1303082671.db2.gz FOIJFYSBRJEJER-XUVXKRRUSA-N 2 0 339.483 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC001103752484 1303296756 /nfs/dbraw/zinc/29/67/56/1303296756.db2.gz IEZMWOGVBVEZJL-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)CC[N@@H+](C)CC)Cc1cccnc1 ZINC001230891387 1303529559 /nfs/dbraw/zinc/52/95/59/1303529559.db2.gz VGEJZEBIUAEPPZ-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCCCCC)C[C@H]32)CC1 ZINC001115290733 1304908203 /nfs/dbraw/zinc/90/82/03/1304908203.db2.gz ZXBFLUYCRQBOGH-PMOLBWCYSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCn1c([C@H]2CCCCN2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001121509854 1310035321 /nfs/dbraw/zinc/03/53/21/1310035321.db2.gz OZFSHRNWHNWBOI-QGZVFWFLSA-N 2 0 344.507 2.153 20 30 EEEDRP COc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C#N)C2)cc1 ZINC001246966890 1310482559 /nfs/dbraw/zinc/48/25/59/1310482559.db2.gz WANVJJWZWNVYQK-CADBVGFASA-N 2 0 342.487 2.411 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219735 1315343243 /nfs/dbraw/zinc/34/32/43/1315343243.db2.gz NGUKFUKLJULWCV-UHFFFAOYSA-N 2 0 349.519 2.059 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149860765 1316069779 /nfs/dbraw/zinc/06/97/79/1316069779.db2.gz KCONORQMZRNMLT-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706789 1316349669 /nfs/dbraw/zinc/34/96/69/1316349669.db2.gz NKRFCTYFRGTAKQ-ZWKOTPCHSA-N 2 0 339.524 2.116 20 30 EEEDRP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001151162100 1316463599 /nfs/dbraw/zinc/46/35/99/1316463599.db2.gz OZIRWTQVNPKRKL-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552648 1317634102 /nfs/dbraw/zinc/63/41/02/1317634102.db2.gz LDQACJASHKHNMY-SJLPKXTDSA-N 2 0 334.460 2.272 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC001253105254 1317771070 /nfs/dbraw/zinc/77/10/70/1317771070.db2.gz GNVYKRQFGQWUKA-OAQYLSRUSA-N 2 0 343.515 2.186 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158040485 1318981202 /nfs/dbraw/zinc/98/12/02/1318981202.db2.gz XCJLMVULZCXGPJ-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001158404237 1319221388 /nfs/dbraw/zinc/22/13/88/1319221388.db2.gz SGDRWEATLBQOFO-FUHWJXTLSA-N 2 0 346.450 2.024 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001159911367 1320019260 /nfs/dbraw/zinc/01/92/60/1320019260.db2.gz XIIYFBUFUVOFAP-OAHLLOKOSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160292031 1320124521 /nfs/dbraw/zinc/12/45/21/1320124521.db2.gz KVXCPNHLHQOXLA-QGZVFWFLSA-N 2 0 325.472 2.381 20 30 EEEDRP C=CC[N@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160551405 1320194770 /nfs/dbraw/zinc/19/47/70/1320194770.db2.gz KUNXWTJOIVZUKW-UHFFFAOYSA-N 2 0 328.460 2.232 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001163833173 1321229449 /nfs/dbraw/zinc/22/94/49/1321229449.db2.gz LQUATZGSORPJEV-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165717977 1321572779 /nfs/dbraw/zinc/57/27/79/1321572779.db2.gz BUYSLOOKDFMWSH-UHFFFAOYSA-N 2 0 339.911 2.491 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001166857322 1321802314 /nfs/dbraw/zinc/80/23/14/1321802314.db2.gz CLCYEJYUFLDOKS-KRWDZBQOSA-N 2 0 335.879 2.128 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C12CCC2 ZINC001203359953 1321869090 /nfs/dbraw/zinc/86/90/90/1321869090.db2.gz VPCZNMPHXYKCMF-ROUUACIJSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770206 1321957274 /nfs/dbraw/zinc/95/72/74/1321957274.db2.gz FEIKVMNIDWMKIN-ZWKOTPCHSA-N 2 0 349.519 2.082 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774276 1321958381 /nfs/dbraw/zinc/95/83/81/1321958381.db2.gz ZQZDBPZYVBKFPJ-RTBURBONSA-N 2 0 339.483 2.402 20 30 EEEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cc2)c1 ZINC001205221420 1322319008 /nfs/dbraw/zinc/31/90/08/1322319008.db2.gz UQIULIYRNPOHDR-HXUWFJFHSA-N 2 0 336.439 2.296 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205645093 1323227274 /nfs/dbraw/zinc/22/72/74/1323227274.db2.gz TVAKJSVZQXKXMB-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453691 1324506470 /nfs/dbraw/zinc/50/64/70/1324506470.db2.gz NBRUQRATVQHJOP-CYBMUJFWSA-N 2 0 346.313 2.206 20 30 EEEDRP C#CCCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001209266020 1324878133 /nfs/dbraw/zinc/87/81/33/1324878133.db2.gz OQRKBDDABKITKF-UHFFFAOYSA-N 2 0 327.472 2.409 20 30 EEEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001341644581 1337295913 /nfs/dbraw/zinc/29/59/13/1337295913.db2.gz IJWMQZMPEOKXQW-IRXDYDNUSA-N 2 0 327.472 2.004 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001112425476 1371439626 /nfs/dbraw/zinc/43/96/26/1371439626.db2.gz NUOLSKHOEPQUEJ-RXVVDRJESA-N 2 0 343.515 2.104 20 30 EEEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239065 1374140905 /nfs/dbraw/zinc/14/09/05/1374140905.db2.gz DNMAFUICRBLGQK-WMLDXEAASA-N 2 0 348.516 2.334 20 30 EEEDRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1cc(C#N)ccc1F ZINC001367249610 1374144501 /nfs/dbraw/zinc/14/45/01/1374144501.db2.gz XHZXQFGLBUWADF-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001367862045 1374291422 /nfs/dbraw/zinc/29/14/22/1374291422.db2.gz MGGLNAMNWHQCCZ-ZBFHGGJFSA-N 2 0 327.900 2.488 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001371867078 1375658755 /nfs/dbraw/zinc/65/87/55/1375658755.db2.gz GNYVCMRMBSSKQZ-CRAIPNDOSA-N 2 0 330.476 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001382336033 1382073874 /nfs/dbraw/zinc/07/38/74/1382073874.db2.gz AEWMEEPWYKPNBP-JKSUJKDBSA-N 2 0 327.900 2.345 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCCC2)C1 ZINC001392021639 1389774686 /nfs/dbraw/zinc/77/46/86/1389774686.db2.gz HBGPMAUPLBYIHZ-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001401257392 1397091287 /nfs/dbraw/zinc/09/12/87/1397091287.db2.gz OYZALDSPKVSKOR-QGZVFWFLSA-N 2 0 342.487 2.227 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403054397 1398325329 /nfs/dbraw/zinc/32/53/29/1398325329.db2.gz JBNJIXIZBQIHRU-SFHVURJKSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001754946723 1407009421 /nfs/dbraw/zinc/00/94/21/1407009421.db2.gz UNBDGDQCXLIXBG-UHFFFAOYSA-N 2 0 327.472 2.100 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001403357193 1399782784 /nfs/dbraw/zinc/78/27/84/1399782784.db2.gz RWOPHZHRKZGARL-DNVCBOLYSA-N 2 0 342.487 2.081 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755075542 1407084592 /nfs/dbraw/zinc/08/45/92/1407084592.db2.gz ITAWZEJABZKNLT-PXNSSMCTSA-N 2 0 341.499 2.447 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001574970423 1403529499 /nfs/dbraw/zinc/52/94/99/1403529499.db2.gz VSCSZGJPJZRUQV-CRAIPNDOSA-N 2 0 329.444 2.086 20 30 EEEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001716808276 1405700286 /nfs/dbraw/zinc/70/02/86/1405700286.db2.gz PNEBYWMCYUCEEZ-HXUWFJFHSA-N 2 0 339.483 2.207 20 30 EEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H](F)C[NH+](CC)CC)CC2)CC1 ZINC001755868695 1407920811 /nfs/dbraw/zinc/92/08/11/1407920811.db2.gz DALCYQXBMXEDSY-INIZCTEOSA-N 2 0 325.472 2.213 20 30 EEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081433 1410520441 /nfs/dbraw/zinc/52/04/41/1410520441.db2.gz SIGUJGJNNMWPRG-ROUUACIJSA-N 2 0 339.524 2.016 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536734 1411035014 /nfs/dbraw/zinc/03/50/14/1411035014.db2.gz FWJNWHSUPCQMFT-ZWKOTPCHSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104578872 761977258 /nfs/dbraw/zinc/97/72/58/761977258.db2.gz FXRFHLDIPZQCDY-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287020 757944906 /nfs/dbraw/zinc/94/49/06/757944906.db2.gz QSBCNFNHIPJOCU-QRVBRYPASA-N 2 0 333.520 2.062 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203202816 758247957 /nfs/dbraw/zinc/24/79/57/758247957.db2.gz BCXSUMRCMDMQEA-UHFFFAOYSA-N 2 0 345.462 2.100 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425844 758349821 /nfs/dbraw/zinc/34/98/21/758349821.db2.gz LSPRTSONZCWCHS-MSOLQXFVSA-N 2 0 349.519 2.082 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001075410490 759377086 /nfs/dbraw/zinc/37/70/86/759377086.db2.gz CODAWNQOIOWLBA-UYAOXDASSA-N 2 0 349.519 2.033 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448090 760371062 /nfs/dbraw/zinc/37/10/62/760371062.db2.gz NOVQMYCQJCSJIK-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001112517935 761252831 /nfs/dbraw/zinc/25/28/31/761252831.db2.gz JQKLTISFZPQMTA-PXNSSMCTSA-N 2 0 343.471 2.196 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445045 769263058 /nfs/dbraw/zinc/26/30/58/769263058.db2.gz CRKMZUOQCWLTPA-RTBURBONSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479060 769671808 /nfs/dbraw/zinc/67/18/08/769671808.db2.gz XKIOZYPIAVKXMQ-BZSNNMDCSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115560205 769939214 /nfs/dbraw/zinc/93/92/14/769939214.db2.gz XUXNKPPKZZQRCT-INIZCTEOSA-N 2 0 325.472 2.098 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509069 770000871 /nfs/dbraw/zinc/00/08/71/770000871.db2.gz DRKZIKOGXIKQQG-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089564866 770422267 /nfs/dbraw/zinc/42/22/67/770422267.db2.gz KGAPEHCMQIVDOP-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089868542 782931144 /nfs/dbraw/zinc/93/11/44/782931144.db2.gz DCCHGZCDANIEIJ-MUGJNUQGSA-N 2 0 345.531 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723195 775932822 /nfs/dbraw/zinc/93/28/22/775932822.db2.gz SLUMLWOEVJUQTR-XLIONFOSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000981220265 776834068 /nfs/dbraw/zinc/83/40/68/776834068.db2.gz AWHOBTGGMVPGGW-HZPDHXFCSA-N 2 0 339.443 2.474 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089833472 777338350 /nfs/dbraw/zinc/33/83/50/777338350.db2.gz KPIJRQJGIVDRHT-NQYYFHDYSA-N 2 0 336.439 2.303 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847715 777906111 /nfs/dbraw/zinc/90/61/11/777906111.db2.gz WVFQVDGZPKMTEO-MHORFTMASA-N 2 0 331.504 2.216 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000981813693 778238721 /nfs/dbraw/zinc/23/87/21/778238721.db2.gz QIKWHPICDMRSDM-IBGZPJMESA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001035048994 783653597 /nfs/dbraw/zinc/65/35/97/783653597.db2.gz LJCJGVGSZFWWPA-HUUCEWRRSA-N 2 0 346.500 2.042 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC001135477656 783868020 /nfs/dbraw/zinc/86/80/20/783868020.db2.gz MKJKNHWPENVESG-SFHVURJKSA-N 2 0 348.466 2.270 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035227620 784116188 /nfs/dbraw/zinc/11/61/88/784116188.db2.gz SRSOQBHLNXZNTG-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995825005 785725998 /nfs/dbraw/zinc/72/59/98/785725998.db2.gz MEWADBGLHWDMON-ZNMIVQPWSA-N 2 0 327.900 2.296 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1)[NH+](C)C ZINC000995952896 785868973 /nfs/dbraw/zinc/86/89/73/785868973.db2.gz SQEPKIVMLITYJZ-HZPDHXFCSA-N 2 0 348.516 2.287 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996193408 786128169 /nfs/dbraw/zinc/12/81/69/786128169.db2.gz ANRNVVBQDCRKKC-KKUMJFAQSA-N 2 0 327.900 2.296 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996508547 786470131 /nfs/dbraw/zinc/47/01/31/786470131.db2.gz VHTDBGONAZPDEG-YLJYHZDGSA-N 2 0 329.488 2.476 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000923389340 789485290 /nfs/dbraw/zinc/48/52/90/789485290.db2.gz PATRWRHCOXIAAN-BPQIPLTHSA-N 2 0 348.487 2.223 20 30 EEEDRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001171215903 790074419 /nfs/dbraw/zinc/07/44/19/790074419.db2.gz GBCQVVFYUNGBFM-QGZVFWFLSA-N 2 0 347.890 2.129 20 30 EEEDRP C[C@@H](Cc1cccc(C#N)c1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001171231417 790232015 /nfs/dbraw/zinc/23/20/15/790232015.db2.gz JLEIHGAKEXRGNZ-SFHVURJKSA-N 2 0 340.515 2.449 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001146338909 791192476 /nfs/dbraw/zinc/19/24/76/791192476.db2.gz ITOBWTVMRFTSSZ-JKSUJKDBSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001146339404 791210262 /nfs/dbraw/zinc/21/02/62/791210262.db2.gz LBOIJPMCSLFBRA-CABCVRRESA-N 2 0 346.450 2.166 20 30 EEEDRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000997854624 791287453 /nfs/dbraw/zinc/28/74/53/791287453.db2.gz HCRNOAXFYJYTHP-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584529 791336980 /nfs/dbraw/zinc/33/69/80/791336980.db2.gz TWGQRCTZOHXECR-IAGOWNOFSA-N 2 0 347.503 2.437 20 30 EEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098949 792121337 /nfs/dbraw/zinc/12/13/37/792121337.db2.gz ZJRUGHLFOQYYSI-HOTGVXAUSA-N 2 0 327.488 2.459 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC000998284413 792464187 /nfs/dbraw/zinc/46/41/87/792464187.db2.gz GWNBDKQXQPDHFY-CABCVRRESA-N 2 0 347.425 2.273 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923068 792992287 /nfs/dbraw/zinc/99/22/87/792992287.db2.gz HSWVPVBNNCOXIR-AEFFLSMTSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942302 793034353 /nfs/dbraw/zinc/03/43/53/793034353.db2.gz NQROPLVGUHRJOG-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)CC1 ZINC001086958421 793103769 /nfs/dbraw/zinc/10/37/69/793103769.db2.gz PUUZKQCJUAVSIS-GOSISDBHSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCC(C)C)C[C@@]3(C)C2)CC1 ZINC001092299750 793775163 /nfs/dbraw/zinc/77/51/63/793775163.db2.gz GPNMNCSVZSZZEE-CTNGQTDRSA-N 2 0 345.531 2.158 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC000992691371 795106534 /nfs/dbraw/zinc/10/65/34/795106534.db2.gz NRSWPKNGPIOIDE-KZNAEPCWSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036864085 795563076 /nfs/dbraw/zinc/56/30/76/795563076.db2.gz RELCKVWEFYBIFV-RBUKOAKNSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106477023 795674398 /nfs/dbraw/zinc/67/43/98/795674398.db2.gz DUOLDIQGEQQCLS-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001171762784 796723713 /nfs/dbraw/zinc/72/37/13/796723713.db2.gz KZIZDFUWUAIDNZ-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976827 797178284 /nfs/dbraw/zinc/17/82/84/797178284.db2.gz VSCNNUBXJSNKGF-GJZGRUSLSA-N 2 0 338.496 2.455 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012501 797226657 /nfs/dbraw/zinc/22/66/57/797226657.db2.gz UXZZEFZPAPGBGU-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383411 798283956 /nfs/dbraw/zinc/28/39/56/798283956.db2.gz YGEIACDHXHOSEF-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001176736868 798542484 /nfs/dbraw/zinc/54/24/84/798542484.db2.gz FUFPFZBYTBVLQX-IAGOWNOFSA-N 2 0 339.499 2.344 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462350 798596475 /nfs/dbraw/zinc/59/64/75/798596475.db2.gz BSFIYUXQASUTHO-BRWVUGGUSA-N 2 0 327.513 2.112 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072610 798654016 /nfs/dbraw/zinc/65/40/16/798654016.db2.gz JUURXACIUOZFFC-QRVBRYPASA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060421 800247992 /nfs/dbraw/zinc/24/79/92/800247992.db2.gz BBNCUCZOUBTRNA-QGZVFWFLSA-N 2 0 327.513 2.186 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004451379 802074030 /nfs/dbraw/zinc/07/40/30/802074030.db2.gz PWWDFQDSJHDAQP-XUVXKRRUSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004459317 802124989 /nfs/dbraw/zinc/12/49/89/802124989.db2.gz PLPHYTRWFMFOAU-LJQANCHMSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004570518 802391607 /nfs/dbraw/zinc/39/16/07/802391607.db2.gz UETUHXVDKKETCM-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291363 810781502 /nfs/dbraw/zinc/78/15/02/810781502.db2.gz XAMPUFLITSTUNN-INDMIFKZSA-N 2 0 333.520 2.345 20 30 EEEDRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001130615181 811843555 /nfs/dbraw/zinc/84/35/55/811843555.db2.gz IXXUMVKHQVQTBA-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131700929 813132251 /nfs/dbraw/zinc/13/22/51/813132251.db2.gz LLMWVXRMBXVCEO-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445867667 1091789827 /nfs/dbraw/zinc/78/98/27/1091789827.db2.gz GVJUWCFQJQZDEA-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496238572 1100806844 /nfs/dbraw/zinc/80/68/44/1100806844.db2.gz LVRWPFIVZYHACS-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497254942 1102199860 /nfs/dbraw/zinc/19/98/60/1102199860.db2.gz WMYQZEJMQZQHSG-YJBOKZPZSA-N 2 0 328.460 2.027 20 30 EEEDRP O=C(NCCc1cn2c(n1)CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329323503 539771920 /nfs/dbraw/zinc/77/19/20/539771920.db2.gz SALNVWIRQYXMNF-QGZVFWFLSA-N 2 0 345.491 2.236 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105396747 781942398 /nfs/dbraw/zinc/94/23/98/781942398.db2.gz UUVILLYDZCBUEG-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000104155213 285204841 /nfs/dbraw/zinc/20/48/41/285204841.db2.gz IGKWJWSNHPZUNR-HUUCEWRRSA-N 2 0 338.521 2.460 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109514 319245760 /nfs/dbraw/zinc/24/57/60/319245760.db2.gz RZYAZINKIPXTBL-ROUUACIJSA-N 2 0 331.460 2.008 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109513 319246033 /nfs/dbraw/zinc/24/60/33/319246033.db2.gz RZYAZINKIPXTBL-QZTJIDSGSA-N 2 0 331.460 2.008 20 30 EEEDRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(C#N)cn1 ZINC000580173752 324008308 /nfs/dbraw/zinc/00/83/08/324008308.db2.gz CRDUHTDKURREDP-UHFFFAOYSA-N 2 0 336.443 2.482 20 30 EEEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@@H]1C ZINC000328662110 465093243 /nfs/dbraw/zinc/09/32/43/465093243.db2.gz AJQIXIFCUIIOHL-BBWFWOEESA-N 2 0 345.491 2.379 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000341297135 465097827 /nfs/dbraw/zinc/09/78/27/465097827.db2.gz LXSNVLYKBMTUCX-YTQUADARSA-N 2 0 348.535 2.467 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000521029616 468283495 /nfs/dbraw/zinc/28/34/95/468283495.db2.gz ITTCVDUYRSFJLG-LJQANCHMSA-N 2 0 332.488 2.476 20 30 EEEDRP CN(C)C(=[NH+]CCc1ccc(OCC[NH+]2CCCC2)cc1)N(C)C ZINC000091537606 462886529 /nfs/dbraw/zinc/88/65/29/462886529.db2.gz UXRGDOMVDBJZCC-UHFFFAOYSA-N 2 0 332.492 2.183 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908958 463739913 /nfs/dbraw/zinc/73/99/13/463739913.db2.gz PYIPIVPXGICEFU-LJQANCHMSA-N 3 0 343.519 2.171 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCN(c2cccs2)CC1 ZINC000261747682 463848431 /nfs/dbraw/zinc/84/84/31/463848431.db2.gz LLBFNTRTGLNPEF-INIZCTEOSA-N 2 0 349.548 2.177 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185630539 463852820 /nfs/dbraw/zinc/85/28/20/463852820.db2.gz QZRBMFFWCXFYCJ-UHFFFAOYSA-N 2 0 336.524 2.448 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000171724259 463913865 /nfs/dbraw/zinc/91/38/65/463913865.db2.gz QWXAMRPWJNJPED-YESZJQIVSA-N 2 0 336.524 2.302 20 30 EEEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597004298 468414613 /nfs/dbraw/zinc/41/46/13/468414613.db2.gz ZIMAXNMEIZGZPI-HXUWFJFHSA-N 2 0 338.499 2.454 20 30 EEEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C[C@H](C)O1 ZINC000273363181 464713046 /nfs/dbraw/zinc/71/30/46/464713046.db2.gz TXUNCILYMGQXLA-GASCZTMLSA-N 2 0 330.476 2.205 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000593918732 468433452 /nfs/dbraw/zinc/43/34/52/468433452.db2.gz HABONALDSJGHTK-FQEVSTJZSA-N 2 0 348.450 2.339 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000362617751 465886976 /nfs/dbraw/zinc/88/69/76/465886976.db2.gz SJYIJHOVGMZULJ-UHFFFAOYSA-N 2 0 334.508 2.297 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)C(C)C ZINC000367888817 466551734 /nfs/dbraw/zinc/55/17/34/466551734.db2.gz YUNNSYBZGYMZMC-IPMKNSEASA-N 2 0 348.535 2.421 20 30 EEEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000424138056 466987020 /nfs/dbraw/zinc/98/70/20/466987020.db2.gz SZXAZIHDXMQNBU-MSOLQXFVSA-N 2 0 328.460 2.131 20 30 EEEDRP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424148477 466990673 /nfs/dbraw/zinc/99/06/73/466990673.db2.gz ULRCTGOQBFBEBH-WMZOPIPTSA-N 2 0 328.460 2.131 20 30 EEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000442818386 467578015 /nfs/dbraw/zinc/57/80/15/467578015.db2.gz NVPPQBQWLHNZIA-MJGOQNOKSA-N 2 0 340.471 2.294 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000571875009 468852139 /nfs/dbraw/zinc/85/21/39/468852139.db2.gz HIWKFMYBHMXCEX-LZQZEXGQSA-N 2 0 330.472 2.227 20 30 EEEDRP C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610812970 469078522 /nfs/dbraw/zinc/07/85/22/469078522.db2.gz QWLVXCPPEFRJSF-INIZCTEOSA-N 2 0 330.476 2.266 20 30 EEEDRP C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000602199917 469238306 /nfs/dbraw/zinc/23/83/06/469238306.db2.gz BNSXCBOJNWNYKG-QGZVFWFLSA-N 2 0 343.471 2.150 20 30 EEEDRP CCC(C#N)(CC)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602511682 469344527 /nfs/dbraw/zinc/34/45/27/469344527.db2.gz PXFMVTYWDOJGLU-UHFFFAOYSA-N 2 0 342.487 2.426 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000602605988 469382713 /nfs/dbraw/zinc/38/27/13/469382713.db2.gz MQRWKPMJIIBKSJ-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155824 675718350 /nfs/dbraw/zinc/71/83/50/675718350.db2.gz DRQYGRWDLCEWJA-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971703249 676747586 /nfs/dbraw/zinc/74/75/86/676747586.db2.gz BKIOZQFRXVLJDY-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800492 676812088 /nfs/dbraw/zinc/81/20/88/676812088.db2.gz KCECELYSCYWXEB-YOEHRIQHSA-N 2 0 346.500 2.137 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336275 678564972 /nfs/dbraw/zinc/56/49/72/678564972.db2.gz VSDKNOHKLQWNLR-CRAIPNDOSA-N 2 0 325.472 2.308 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000972355765 678597204 /nfs/dbraw/zinc/59/72/04/678597204.db2.gz ZGMVUMRRABYODG-AEFFLSMTSA-N 2 0 346.450 2.070 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553125 679374303 /nfs/dbraw/zinc/37/43/03/679374303.db2.gz VWNGVYWHPHFLFS-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001024038988 679772510 /nfs/dbraw/zinc/77/25/10/679772510.db2.gz LXIVWHXVWBYBOE-RBUKOAKNSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246947 682316228 /nfs/dbraw/zinc/31/62/28/682316228.db2.gz HWQJXJUCLDEULF-MOPGFXCFSA-N 2 0 343.515 2.484 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514794 682943399 /nfs/dbraw/zinc/94/33/99/682943399.db2.gz FWTDYUMTHFUGDW-HZPDHXFCSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585072 683041998 /nfs/dbraw/zinc/04/19/98/683041998.db2.gz NFNGVIARRPMTHE-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]12 ZINC001026331591 684293984 /nfs/dbraw/zinc/29/39/84/684293984.db2.gz WYNBRDSWRQLKSH-BZUAXINKSA-N 2 0 339.911 2.440 20 30 EEEDRP COC1CC[NH+](C2(CNC(=[NH2+])N3CCC[C@H](C)C3)CCCC2)CC1 ZINC000262518565 686714379 /nfs/dbraw/zinc/71/43/79/686714379.db2.gz HOPURHSZFHZWDT-INIZCTEOSA-N 2 0 336.524 2.457 20 30 EEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985665286 687430663 /nfs/dbraw/zinc/43/06/63/687430663.db2.gz UPILUYMLNKOEQP-UXHICEINSA-N 2 0 341.499 2.441 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013859 694186595 /nfs/dbraw/zinc/18/65/95/694186595.db2.gz AIUAHTCBOHQBSD-QWFCFKBJSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C[C@@H]2C)CC1 ZINC000989829352 692355631 /nfs/dbraw/zinc/35/56/31/692355631.db2.gz RTYKDOHHLYUFKP-MAUKXSAKSA-N 2 0 345.512 2.172 20 30 EEEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977449411 692634506 /nfs/dbraw/zinc/63/45/06/692634506.db2.gz JPRLCRZLIWJEMI-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978269712 693435168 /nfs/dbraw/zinc/43/51/68/693435168.db2.gz KLPXIVRCLFCPAD-OKYOBFRVSA-N 2 0 331.504 2.264 20 30 EEEDRP C[C@@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268392852 1182455027 /nfs/dbraw/zinc/45/50/27/1182455027.db2.gz SLEBYHZQJMEKBN-MAUKXSAKSA-N 2 0 347.890 2.270 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC000945179426 1193415102 /nfs/dbraw/zinc/41/51/02/1193415102.db2.gz IVHBEEJNZSQQTR-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001105439002 1187121316 /nfs/dbraw/zinc/12/13/16/1187121316.db2.gz VNEQBKVGSAKUOX-MCNSAMFCSA-N 2 0 341.499 2.176 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001105472785 1188021344 /nfs/dbraw/zinc/02/13/44/1188021344.db2.gz HAQBPKHNZXXRCR-UHFFFAOYSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001105485542 1188102072 /nfs/dbraw/zinc/10/20/72/1188102072.db2.gz METIAYWUSVTPDF-ZJRDLVKKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001105570566 1188183601 /nfs/dbraw/zinc/18/36/01/1188183601.db2.gz VCCDCYBPXNJOKE-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297630 1188261070 /nfs/dbraw/zinc/26/10/70/1188261070.db2.gz UYFIEIUBEIGTQO-UHFFFAOYSA-N 2 0 327.900 2.491 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484120219 1191220306 /nfs/dbraw/zinc/22/03/06/1191220306.db2.gz MMMWHHLSXOCQSD-GOSISDBHSA-N 2 0 348.516 2.290 20 30 EEEDRP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273101074 1194383222 /nfs/dbraw/zinc/38/32/22/1194383222.db2.gz NFNFCBQEQRQKRT-FQEVSTJZSA-N 2 0 346.519 2.479 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034539259 1196364082 /nfs/dbraw/zinc/36/40/82/1196364082.db2.gz ZSVBJIAFUUIZTR-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001273143242 1197000052 /nfs/dbraw/zinc/00/00/52/1197000052.db2.gz DHKLERMVBDPOTM-LJQANCHMSA-N 2 0 332.492 2.089 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086717039 1199303267 /nfs/dbraw/zinc/30/32/67/1199303267.db2.gz CMVVFJCHDPQSLC-YQVWRLOYSA-N 2 0 349.519 2.080 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582991 1199672629 /nfs/dbraw/zinc/67/26/29/1199672629.db2.gz CNVKFUORBAYHKH-ZWKOTPCHSA-N 2 0 341.499 2.395 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877202037 1199880062 /nfs/dbraw/zinc/88/00/62/1199880062.db2.gz WUDRSMKXJPXUIG-LJQANCHMSA-N 2 0 342.487 2.426 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435450 1209136739 /nfs/dbraw/zinc/13/67/39/1209136739.db2.gz LTMQFSYCBWGKNI-MOPGFXCFSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711013 1209317395 /nfs/dbraw/zinc/31/73/95/1209317395.db2.gz KBUWRDSXTNLGBI-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]Cc3ccsc3)C2)CC1 ZINC000962809796 1216107798 /nfs/dbraw/zinc/10/77/98/1216107798.db2.gz VDCQTBRXYLZUOQ-UHFFFAOYSA-N 2 0 345.512 2.078 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959907923 1216219278 /nfs/dbraw/zinc/21/92/78/1216219278.db2.gz CYPSLCOSXCJPSO-GDAAHCPNSA-N 2 0 331.504 2.264 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960276819 1216466383 /nfs/dbraw/zinc/46/63/83/1216466383.db2.gz UIASLVFIBCDCFY-RTBURBONSA-N 2 0 339.483 2.420 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199642 1217084904 /nfs/dbraw/zinc/08/49/04/1217084904.db2.gz LARFNRJVJBQIJD-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220270 1217095039 /nfs/dbraw/zinc/09/50/39/1217095039.db2.gz KICZACFPSBFTFO-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376817 1217164592 /nfs/dbraw/zinc/16/45/92/1217164592.db2.gz DJDMOWHSWNUZGM-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961407358 1217178211 /nfs/dbraw/zinc/17/82/11/1217178211.db2.gz XFQFYWYVDRDING-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000965064961 1218869427 /nfs/dbraw/zinc/86/94/27/1218869427.db2.gz RZJRSKYCXPMLOU-HOUHCIJLSA-N 2 0 325.884 2.240 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968967500 1221705928 /nfs/dbraw/zinc/70/59/28/1221705928.db2.gz RSLHSVSWZDHWDL-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016690377 1226783384 /nfs/dbraw/zinc/78/33/84/1226783384.db2.gz KCAXDAFEINMELY-CABCVRRESA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788590 1226878571 /nfs/dbraw/zinc/87/85/71/1226878571.db2.gz BRNFXNIOZXBPQF-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818034 1226901455 /nfs/dbraw/zinc/90/14/55/1226901455.db2.gz ABZFMKRILBBXME-DNVCBOLYSA-N 2 0 337.483 2.356 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019151164 1228803367 /nfs/dbraw/zinc/80/33/67/1228803367.db2.gz LTMFOWUBUHYIEN-SFHVURJKSA-N 2 0 345.406 2.210 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038718495 1229995073 /nfs/dbraw/zinc/99/50/73/1229995073.db2.gz TYDBLMPNMYGELQ-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137349 1230350565 /nfs/dbraw/zinc/35/05/65/1230350565.db2.gz GTCPDDWVLBPWLM-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001039182101 1230408373 /nfs/dbraw/zinc/40/83/73/1230408373.db2.gz IXGHSIDQZWKZLL-HXUWFJFHSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001039250430 1230486221 /nfs/dbraw/zinc/48/62/21/1230486221.db2.gz KKXCJLQDQGFYCF-PMACEKPBSA-N 2 0 343.515 2.221 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040497031 1231263467 /nfs/dbraw/zinc/26/34/67/1231263467.db2.gz POSQMDCBYWNVFA-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001040761331 1231360401 /nfs/dbraw/zinc/36/04/01/1231360401.db2.gz UJULGHXKEWQXFO-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001040940076 1231407103 /nfs/dbraw/zinc/40/71/03/1231407103.db2.gz ZRTPJTGLNOUEAW-UHFFFAOYSA-N 2 0 325.884 2.149 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845862 1231729012 /nfs/dbraw/zinc/72/90/12/1231729012.db2.gz PVIPZFDHGCUJEL-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365011 1232047429 /nfs/dbraw/zinc/04/74/29/1232047429.db2.gz ICOOADUQSUKFOI-UYAOXDASSA-N 2 0 339.483 2.308 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045200918 1233576872 /nfs/dbraw/zinc/57/68/72/1233576872.db2.gz VCKSPKIKNGSVRO-CABCVRRESA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986675 1234282752 /nfs/dbraw/zinc/28/27/52/1234282752.db2.gz XZKQNZOSVNWMRT-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001046946509 1235340310 /nfs/dbraw/zinc/34/03/10/1235340310.db2.gz WGYWAJLSDKRXPF-CABCVRRESA-N 2 0 329.435 2.120 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047241608 1235728437 /nfs/dbraw/zinc/72/84/37/1235728437.db2.gz FEWVRRVTVOJOML-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047253316 1235755850 /nfs/dbraw/zinc/75/58/50/1235755850.db2.gz WAZCZYKMYMJUSU-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097920 1239993302 /nfs/dbraw/zinc/99/33/02/1239993302.db2.gz XCJBITDNMDCZPQ-BBWFWOEESA-N 2 0 339.911 2.392 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC001000290754 1240136337 /nfs/dbraw/zinc/13/63/37/1240136337.db2.gz WDCHEOWEFSUCDH-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001000319645 1240166651 /nfs/dbraw/zinc/16/66/51/1240166651.db2.gz YOWFGEVKQRFOGC-PKOBYXMFSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525453 1241249158 /nfs/dbraw/zinc/24/91/58/1241249158.db2.gz QPHGHBMSGOREIZ-XUVXKRRUSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526188 1241250629 /nfs/dbraw/zinc/25/06/29/1241250629.db2.gz UFTMYCQKYAMSNL-IPMKNSEASA-N 2 0 329.488 2.092 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001049554917 1241394180 /nfs/dbraw/zinc/39/41/80/1241394180.db2.gz ILGWTIZUNUIBIU-BHIYHBOVSA-N 2 0 342.487 2.477 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913374 1242676651 /nfs/dbraw/zinc/67/66/51/1242676651.db2.gz WJUCFTLVQLQSTG-VQTJNVASSA-N 2 0 339.483 2.450 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103415 1242876032 /nfs/dbraw/zinc/87/60/32/1242876032.db2.gz ILNAAFXEMKRBJX-IPMKNSEASA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050729769 1244232892 /nfs/dbraw/zinc/23/28/92/1244232892.db2.gz BJLYOIHFTUTVMP-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097580842 1244381387 /nfs/dbraw/zinc/38/13/87/1244381387.db2.gz LBBREAGEPMMZQK-RLLQIKCJSA-N 2 0 339.483 2.149 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053032969 1245725747 /nfs/dbraw/zinc/72/57/47/1245725747.db2.gz QKZUETCSHBWQSB-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248884 1246758940 /nfs/dbraw/zinc/75/89/40/1246758940.db2.gz BBSMSFJAZVWWAT-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135820 1247489950 /nfs/dbraw/zinc/48/99/50/1247489950.db2.gz JZJPUIWJLOFSOD-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054159398 1247563941 /nfs/dbraw/zinc/56/39/41/1247563941.db2.gz VFUJVEKWFZARPO-FQEVSTJZSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001099106929 1257971028 /nfs/dbraw/zinc/97/10/28/1257971028.db2.gz SDBGWDMHXLPKSH-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115953 1257976796 /nfs/dbraw/zinc/97/67/96/1257976796.db2.gz LYYDERDBFMPMNN-MSOLQXFVSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C(F)(F)F ZINC001099317180 1258079793 /nfs/dbraw/zinc/07/97/93/1258079793.db2.gz UKYIPBNHIFAFNR-RRFJBIMHSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099522963 1258190444 /nfs/dbraw/zinc/19/04/44/1258190444.db2.gz XSNIHNWXXCWDFZ-VJANTYMQSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081743 1278134910 /nfs/dbraw/zinc/13/49/10/1278134910.db2.gz RFUGTORPGSQXCZ-IAGOWNOFSA-N 2 0 339.524 2.326 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC=C(C)C)[C@@H](C)C2)CC1 ZINC001185730310 1278767265 /nfs/dbraw/zinc/76/72/65/1278767265.db2.gz MTDBWAGIGLZJSC-ICSRJNTNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185752879 1278787189 /nfs/dbraw/zinc/78/71/89/1278787189.db2.gz VUMWQNVKZAASHZ-IRXDYDNUSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062097 1287259832 /nfs/dbraw/zinc/25/98/32/1287259832.db2.gz HSOXIHRFDDCBTA-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044448 1287271467 /nfs/dbraw/zinc/27/14/67/1287271467.db2.gz WFAWDKGTPHQMPS-GOSISDBHSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232932 1279312159 /nfs/dbraw/zinc/31/21/59/1279312159.db2.gz YKXPECKTHJRDAP-IAGOWNOFSA-N 2 0 331.504 2.291 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001187276947 1279474045 /nfs/dbraw/zinc/47/40/45/1279474045.db2.gz YGRQXNIUXDJSSG-LJQANCHMSA-N 2 0 345.462 2.100 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001188090516 1279761610 /nfs/dbraw/zinc/76/16/10/1279761610.db2.gz FODUNCDQGXITNH-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353808 1281945823 /nfs/dbraw/zinc/94/58/23/1281945823.db2.gz ICZNVCJKWVPZCH-CRAIPNDOSA-N 2 0 325.472 2.308 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001193569433 1282566415 /nfs/dbraw/zinc/56/64/15/1282566415.db2.gz BTTKAMRKCIWCTC-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193571135 1282568028 /nfs/dbraw/zinc/56/80/28/1282568028.db2.gz QDOAASQQWVRKNF-OAHLLOKOSA-N 2 0 348.516 2.384 20 30 EEEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001216463836 1297180340 /nfs/dbraw/zinc/18/03/40/1297180340.db2.gz JMCMSFYQVCGYJN-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001073850410 1297599524 /nfs/dbraw/zinc/59/95/24/1297599524.db2.gz BSBSZENYJHGUHF-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218695171 1297765948 /nfs/dbraw/zinc/76/59/48/1297765948.db2.gz OHGRKUNHLBKWIV-KRWDZBQOSA-N 2 0 345.491 2.213 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220785925 1298539148 /nfs/dbraw/zinc/53/91/48/1298539148.db2.gz GWHGGVFONIMADV-SQNIBIBYSA-N 2 0 330.476 2.312 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001102596540 1301269434 /nfs/dbraw/zinc/26/94/34/1301269434.db2.gz LXRFDLZAUBALOB-CWHLKURSSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495896 1303035341 /nfs/dbraw/zinc/03/53/41/1303035341.db2.gz YBVXETAMVIPCAJ-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778105 1303449698 /nfs/dbraw/zinc/44/96/98/1303449698.db2.gz IRNHGEJJUWKEJU-LJQANCHMSA-N 2 0 344.503 2.306 20 30 EEEDRP N#CCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001277949180 1305253559 /nfs/dbraw/zinc/25/35/59/1305253559.db2.gz TZVBLZIRBRNLQM-QZTJIDSGSA-N 2 0 344.503 2.135 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CCN(CCC[NH+](C)C)CC3)cc1C#N ZINC001278049808 1305789962 /nfs/dbraw/zinc/78/99/62/1305789962.db2.gz RTSILRZUCLRSFS-UHFFFAOYSA-N 2 0 343.519 2.136 20 30 EEEDRP N#Cc1cc(-c2ccccc2CN2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001240361255 1309312757 /nfs/dbraw/zinc/31/27/57/1309312757.db2.gz NHISSEHDXZWESD-UHFFFAOYSA-N 2 0 332.451 2.317 20 30 EEEDRP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001121595622 1310064232 /nfs/dbraw/zinc/06/42/32/1310064232.db2.gz UIUXWIWHSSVQFF-IKGGRYGDSA-N 2 0 346.523 2.192 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CC[NH2+]CC3)c3cc(F)ccc32)CCN1 ZINC001246140903 1310244525 /nfs/dbraw/zinc/24/45/25/1310244525.db2.gz OXHKGAHAHWXRMP-RLFYNMQTSA-N 2 0 328.435 2.125 20 30 EEEDRP C=CCN1CC[C@@]2(C[N@@H+](C3CC[NH2+]CC3)C[C@@H]2c2ccccc2)C1=O ZINC001246705767 1310388301 /nfs/dbraw/zinc/38/83/01/1310388301.db2.gz YQCDBILIDRXTCT-CTNGQTDRSA-N 2 0 339.483 2.243 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000832544166 1314684382 /nfs/dbraw/zinc/68/43/82/1314684382.db2.gz LLZBTGXHONUATH-UHFFFAOYSA-N 2 0 330.476 2.095 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142883591 1315785789 /nfs/dbraw/zinc/78/57/89/1315785789.db2.gz JIHCVIXZKDCRKF-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150394448 1316254114 /nfs/dbraw/zinc/25/41/14/1316254114.db2.gz JFFZJLQIYLJRTK-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001151174965 1316467602 /nfs/dbraw/zinc/46/76/02/1316467602.db2.gz RCJIKBPVZFPNKK-QGZVFWFLSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001151399141 1316520857 /nfs/dbraw/zinc/52/08/57/1316520857.db2.gz QCPJMHYXYSEGMV-UHFFFAOYSA-N 2 0 349.519 2.036 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152148859 1316638269 /nfs/dbraw/zinc/63/82/69/1316638269.db2.gz SEXZWLFKWHMZHL-HZPDHXFCSA-N 2 0 347.890 2.270 20 30 EEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097768 1319010438 /nfs/dbraw/zinc/01/04/38/1319010438.db2.gz DWDREJKLOVTBCB-OAHLLOKOSA-N 2 0 327.900 2.489 20 30 EEEDRP CN(Cc1ccccc1C#N)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450442 1319246320 /nfs/dbraw/zinc/24/63/20/1319246320.db2.gz QUSZXKDWSOIONR-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704689 1320595191 /nfs/dbraw/zinc/59/51/91/1320595191.db2.gz GBEXTMZBGVHYHP-RTBURBONSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)CC1 ZINC001161946763 1320688013 /nfs/dbraw/zinc/68/80/13/1320688013.db2.gz BPCWCJKNILCTSW-UHFFFAOYSA-N 2 0 343.515 2.270 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC001163834277 1321229355 /nfs/dbraw/zinc/22/93/55/1321229355.db2.gz YRVOVPGZQLRYDU-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP N#Cc1c2c(cnc1N1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C[NH2+]CCC2 ZINC001165350109 1321506426 /nfs/dbraw/zinc/50/64/26/1321506426.db2.gz NWQLNWDNTNWPBN-VQTJNVASSA-N 2 0 345.450 2.065 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001166432378 1321718721 /nfs/dbraw/zinc/71/87/21/1321718721.db2.gz AQVDPSLQPOQJRU-MRXNPFEDSA-N 2 0 336.505 2.336 20 30 EEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203554258 1321910904 /nfs/dbraw/zinc/91/09/04/1321910904.db2.gz BHSJUBAVNWTPOO-QZTJIDSGSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)CC1 ZINC001203887528 1321982394 /nfs/dbraw/zinc/98/23/94/1321982394.db2.gz DPXLLSQKMMHQQN-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001262562444 1322323959 /nfs/dbraw/zinc/32/39/59/1322323959.db2.gz AVPPLKLVPMFBCO-MDZRGWNJSA-N 2 0 331.460 2.071 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284297 1322342130 /nfs/dbraw/zinc/34/21/30/1322342130.db2.gz LIPMOHXLHVUSSA-IRXDYDNUSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205462468 1323147892 /nfs/dbraw/zinc/14/78/92/1323147892.db2.gz ZDCYFEKZDAMLEP-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206024033 1323372687 /nfs/dbraw/zinc/37/26/87/1323372687.db2.gz XXHNNVHMUXKPOQ-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001208594213 1324578278 /nfs/dbraw/zinc/57/82/78/1324578278.db2.gz LPMUTSRWDJAPNS-UHFFFAOYSA-N 2 0 335.492 2.439 20 30 EEEDRP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208599057 1324581801 /nfs/dbraw/zinc/58/18/01/1324581801.db2.gz DJIBCARIGJYBAK-GOSISDBHSA-N 2 0 332.492 2.254 20 30 EEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208604754 1324585889 /nfs/dbraw/zinc/58/58/89/1324585889.db2.gz SZGXIMHUQZRFQU-MJGOQNOKSA-N 2 0 335.492 2.439 20 30 EEEDRP N#Cc1ccc(CC[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001208924083 1324720900 /nfs/dbraw/zinc/72/09/00/1324720900.db2.gz VTIYALNVBQDABB-UHFFFAOYSA-N 2 0 349.482 2.451 20 30 EEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209232561 1324866804 /nfs/dbraw/zinc/86/68/04/1324866804.db2.gz KGXAAVZUJVRSKW-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001574614416 1343689020 /nfs/dbraw/zinc/68/90/20/1343689020.db2.gz AZBSILPKPMEFDS-IRXDYDNUSA-N 2 0 344.507 2.037 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001574925330 1343712500 /nfs/dbraw/zinc/71/25/00/1343712500.db2.gz NPSWHIXUNDGXGN-CVEARBPZSA-N 2 0 332.496 2.057 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000111386429 1369345182 /nfs/dbraw/zinc/34/51/82/1369345182.db2.gz AVWQFVHGEAKTLB-FUHWJXTLSA-N 2 0 331.460 2.304 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643842 1371043950 /nfs/dbraw/zinc/04/39/50/1371043950.db2.gz SOARKZVXYVTUNC-FVQBIDKESA-N 2 0 327.900 2.155 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC001367317139 1374149298 /nfs/dbraw/zinc/14/92/98/1374149298.db2.gz SJGGUWKMYUBVSG-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001369257572 1374517707 /nfs/dbraw/zinc/51/77/07/1374517707.db2.gz SNWMSLPMYNXVLE-KSSFIOAISA-N 2 0 348.466 2.220 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001374384673 1376755488 /nfs/dbraw/zinc/75/54/88/1376755488.db2.gz NNMGMKAGCNAYJC-PBHICJAKSA-N 2 0 348.516 2.288 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001377413793 1379220905 /nfs/dbraw/zinc/22/09/05/1379220905.db2.gz RKBQHJMEBUUWQB-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205017 1379785515 /nfs/dbraw/zinc/78/55/15/1379785515.db2.gz VRMNTAHDNNEKGG-KSSFIOAISA-N 2 0 348.466 2.220 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001390569862 1388685248 /nfs/dbraw/zinc/68/52/48/1388685248.db2.gz BKLFNYNZNRIZHF-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001393618512 1390496703 /nfs/dbraw/zinc/49/67/03/1390496703.db2.gz LHZSEAWSGJNQEE-VQIMIIECSA-N 2 0 342.487 2.179 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001401504734 1397413625 /nfs/dbraw/zinc/41/36/25/1397413625.db2.gz VUIYEOOAYODOHK-GJZGRUSLSA-N 2 0 325.884 2.242 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1)[NH+](C)C ZINC001424215879 1400974843 /nfs/dbraw/zinc/97/48/43/1400974843.db2.gz SCNHTKHYANVUNL-KRWDZBQOSA-N 2 0 346.450 2.166 20 30 EEEDRP CN(CCC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC[NH+]1C ZINC001424307134 1401044423 /nfs/dbraw/zinc/04/44/23/1401044423.db2.gz KCIDUWZTTTUBLZ-GOSISDBHSA-N 2 0 346.450 2.072 20 30 EEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001755185233 1407190366 /nfs/dbraw/zinc/19/03/66/1407190366.db2.gz ZNHBNNBSRKYRPL-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001567182478 1403500898 /nfs/dbraw/zinc/50/08/98/1403500898.db2.gz GTLFCEWOFFCTFP-IBGZPJMESA-N 2 0 329.488 2.495 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC(=C)C)CCCCC2)CC1 ZINC001755356148 1407355024 /nfs/dbraw/zinc/35/50/24/1407355024.db2.gz GLOZMIWCIJKSNP-UHFFFAOYSA-N 2 0 331.504 2.316 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001755713033 1407767115 /nfs/dbraw/zinc/76/71/15/1407767115.db2.gz TUCQOJDRIXICQL-GUDVDZBRSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001755741036 1407800429 /nfs/dbraw/zinc/80/04/29/1407800429.db2.gz CZQDZTAALJNIMS-UXHICEINSA-N 2 0 341.499 2.059 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750172 1407808676 /nfs/dbraw/zinc/80/86/76/1407808676.db2.gz SFJCWACJOULKJA-PKOBYXMFSA-N 2 0 331.504 2.172 20 30 EEEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000325751412 1409871075 /nfs/dbraw/zinc/87/10/75/1409871075.db2.gz RFMHGSLNHVUPPC-UHFFFAOYSA-N 2 0 326.488 2.226 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001122242556 1410267818 /nfs/dbraw/zinc/26/78/18/1410267818.db2.gz ITQMURSDUGKPNC-UHFFFAOYSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104288281 757958097 /nfs/dbraw/zinc/95/80/97/757958097.db2.gz VGYPXWCEBDQDQD-GUDVDZBRSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075453761 760705757 /nfs/dbraw/zinc/70/57/57/760705757.db2.gz AQMPCWGGJUUOCI-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167700666 761877810 /nfs/dbraw/zinc/87/78/10/761877810.db2.gz SELINZNINFMBMW-FQEVSTJZSA-N 2 0 341.499 2.363 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104753130 765198622 /nfs/dbraw/zinc/19/86/22/765198622.db2.gz UTBHMPTYDZXSGB-CEXWTWQISA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992122 782734651 /nfs/dbraw/zinc/73/46/51/782734651.db2.gz FAMNSFYKOQVTBK-QRVBRYPASA-N 2 0 333.520 2.321 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992123 782735632 /nfs/dbraw/zinc/73/56/32/782735632.db2.gz FAMNSFYKOQVTBK-QYZOEREBSA-N 2 0 333.520 2.321 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001040849744 770370331 /nfs/dbraw/zinc/37/03/31/770370331.db2.gz WBNMFSFQXRDJHZ-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565706 770433789 /nfs/dbraw/zinc/43/37/89/770433789.db2.gz XGDZBBZLPMDTEW-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166568 783011588 /nfs/dbraw/zinc/01/15/88/783011588.db2.gz HYCHHNUVRFTARA-HSALFYBXSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088211604 783062120 /nfs/dbraw/zinc/06/21/20/783062120.db2.gz RKOXURBAFQPVTR-IKGGRYGDSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001089649227 773742236 /nfs/dbraw/zinc/74/22/36/773742236.db2.gz DZEYXPDARKKTGD-IRXDYDNUSA-N 2 0 342.487 2.391 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138972 773928223 /nfs/dbraw/zinc/92/82/23/773928223.db2.gz IEOLWAZQURGSTR-OKZBNKHCSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980169841 774000536 /nfs/dbraw/zinc/00/05/36/774000536.db2.gz JJAVZLZHEYLKIV-RCCFBDPRSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027930054 774554603 /nfs/dbraw/zinc/55/46/03/774554603.db2.gz MAEDYMQAZBANPM-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719686 774685511 /nfs/dbraw/zinc/68/55/11/774685511.db2.gz JFSHJKYRHCPFAT-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[NH+]1CCCC1 ZINC000980800268 775628658 /nfs/dbraw/zinc/62/86/58/775628658.db2.gz OOMNWSWIRNZGIM-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089846211 777802121 /nfs/dbraw/zinc/80/21/21/777802121.db2.gz KWWHPYYLVUHXMJ-VJANTYMQSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163569 779183370 /nfs/dbraw/zinc/18/33/70/779183370.db2.gz HOMTXVFMFRIECT-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982344152 779814922 /nfs/dbraw/zinc/81/49/22/779814922.db2.gz UAMKICHTSGLGMT-KDURUIRLSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982430547 780134342 /nfs/dbraw/zinc/13/43/42/780134342.db2.gz ZCTIBHIIPIMIET-BGYRXZFFSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001131834583 783333276 /nfs/dbraw/zinc/33/32/76/783333276.db2.gz DJHWZDYVSZVZRZ-UHFFFAOYSA-N 2 0 334.489 2.090 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001035052829 783660156 /nfs/dbraw/zinc/66/01/56/783660156.db2.gz UCJPSAAJNGDDCZ-CJNGLKHVSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001035131549 783862570 /nfs/dbraw/zinc/86/25/70/783862570.db2.gz NOZRZDOXJJBECL-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2)CC1 ZINC001035131711 783862768 /nfs/dbraw/zinc/86/27/68/783862768.db2.gz PAPYFGQOFJVNLN-HXUWFJFHSA-N 2 0 339.483 2.112 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)C(C)C ZINC001135477810 783868777 /nfs/dbraw/zinc/86/87/77/783868777.db2.gz PGRVIVDZWJLKOI-IBGZPJMESA-N 2 0 329.488 2.110 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)C(C)C ZINC001135478008 783868836 /nfs/dbraw/zinc/86/88/36/783868836.db2.gz SZHOXMNHSXVQPD-SFHVURJKSA-N 2 0 348.466 2.270 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193437 784082192 /nfs/dbraw/zinc/08/21/92/784082192.db2.gz CNQPWPQHHQNIOM-INIZCTEOSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035836199 785258213 /nfs/dbraw/zinc/25/82/13/785258213.db2.gz WKONCKLTDXZSMP-UHFFFAOYSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)CC2 ZINC001035860132 785304260 /nfs/dbraw/zinc/30/42/60/785304260.db2.gz SQSKZVQUYVZKGS-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1(C)C ZINC000996039204 785954499 /nfs/dbraw/zinc/95/44/99/785954499.db2.gz HITWZUOPOLPRAO-QGZVFWFLSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036307208 786217310 /nfs/dbraw/zinc/21/73/10/786217310.db2.gz ZHLZXNCYKUASSS-HOCLYGCPSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635754 805810884 /nfs/dbraw/zinc/81/08/84/805810884.db2.gz PWVZTPBUFWOBRO-RDGPPVDQSA-N 2 0 349.519 2.033 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001109652588 805830521 /nfs/dbraw/zinc/83/05/21/805830521.db2.gz BFTQWFZSHQVBLS-QYZOEREBSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846364 788565821 /nfs/dbraw/zinc/56/58/21/788565821.db2.gz YQMWANJVOMDFMN-BGYRXZFFSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997093781 788775961 /nfs/dbraw/zinc/77/59/61/788775961.db2.gz OEEYAYHBIKPZAG-HOTGVXAUSA-N 2 0 325.884 2.336 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)CC2)C1 ZINC001030031464 789100112 /nfs/dbraw/zinc/10/01/12/789100112.db2.gz LVSYGRBYSRNOLQ-GUMHCPJTSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997185152 789378438 /nfs/dbraw/zinc/37/84/38/789378438.db2.gz QRLDMBKOJZUVHZ-GOEBONIOSA-N 2 0 327.900 2.440 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182435 789671978 /nfs/dbraw/zinc/67/19/78/789671978.db2.gz HZPLCMFMDIRFEG-GOSISDBHSA-N 2 0 327.513 2.116 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC000997365315 789734490 /nfs/dbraw/zinc/73/44/90/789734490.db2.gz REGLYIKMCSRQCT-UHFFFAOYSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593037 791362145 /nfs/dbraw/zinc/36/21/45/791362145.db2.gz MRXXUSFAXAUDNT-QWHCGFSZSA-N 2 0 334.302 2.108 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981753 792356553 /nfs/dbraw/zinc/35/65/53/792356553.db2.gz FLIDNRHRXSRJAS-IEBWSBKVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC000998266061 792396237 /nfs/dbraw/zinc/39/62/37/792396237.db2.gz HIRIBUPZWSZVCS-QWHCGFSZSA-N 2 0 333.398 2.026 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809339 793280893 /nfs/dbraw/zinc/28/08/93/793280893.db2.gz CHOGOJSLOFUWEP-GGPKGHCWSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992374723 793867412 /nfs/dbraw/zinc/86/74/12/793867412.db2.gz YFIXOSCFPHFTKR-AZUAARDMSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992374730 793867710 /nfs/dbraw/zinc/86/77/10/793867710.db2.gz YFIXOSCFPHFTKR-QUCCMNQESA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CCC1 ZINC000999345876 794335563 /nfs/dbraw/zinc/33/55/63/794335563.db2.gz BMMYLEIGQQIMQS-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000999391939 794404139 /nfs/dbraw/zinc/40/41/39/794404139.db2.gz OEPBUUDUGPCHSX-MJGOQNOKSA-N 2 0 343.446 2.004 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842384 795425768 /nfs/dbraw/zinc/42/57/68/795425768.db2.gz OHIDPLZBSFSVIA-OALUTQOASA-N 2 0 327.472 2.471 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902896 796441756 /nfs/dbraw/zinc/44/17/56/796441756.db2.gz RQHGGKKVIRAGSO-ICSRJNTNSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902985 796441827 /nfs/dbraw/zinc/44/18/27/796441827.db2.gz SXITUAZYRWGDMU-MJGOQNOKSA-N 2 0 327.472 2.471 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683681 796675345 /nfs/dbraw/zinc/67/53/45/796675345.db2.gz PFCWECKNMYONNV-MRXNPFEDSA-N 2 0 344.459 2.415 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001171725042 796704718 /nfs/dbraw/zinc/70/47/18/796704718.db2.gz FISAEFYSABXLNP-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078717890 796909997 /nfs/dbraw/zinc/90/99/97/796909997.db2.gz HTDPUDAURUOBIQ-GJZGRUSLSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078822846 797076189 /nfs/dbraw/zinc/07/61/89/797076189.db2.gz FORFGGGHYOQNNX-QZTJIDSGSA-N 2 0 343.471 2.385 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001094954938 797106013 /nfs/dbraw/zinc/10/60/13/797106013.db2.gz NLFLTGYTIGRDPS-JYJNAYRXSA-N 2 0 337.895 2.336 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001094962489 797119005 /nfs/dbraw/zinc/11/90/05/797119005.db2.gz HMWVBLKDVZDAEL-UXLLHSPISA-N 2 0 337.427 2.036 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001095000173 797211518 /nfs/dbraw/zinc/21/15/18/797211518.db2.gz VLVROXYXFGYWGW-SXLOBPIMSA-N 2 0 339.483 2.007 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001082557025 797587538 /nfs/dbraw/zinc/58/75/38/797587538.db2.gz LXXAXNIWAVPDCP-VNQPRFMTSA-N 2 0 327.900 2.153 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001099306438 797880858 /nfs/dbraw/zinc/88/08/58/797880858.db2.gz CRMQIXWDZHSAAW-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC001016335106 798671312 /nfs/dbraw/zinc/67/13/12/798671312.db2.gz AQVFXEOEXNIICZ-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502422 799500165 /nfs/dbraw/zinc/50/01/65/799500165.db2.gz QDMZTXGDGNHBCS-INIZCTEOSA-N 2 0 327.900 2.347 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612302 799548726 /nfs/dbraw/zinc/54/87/26/799548726.db2.gz SIJRFUUILIZQMB-KRWDZBQOSA-N 2 0 345.503 2.135 20 30 EEEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001179001003 799739452 /nfs/dbraw/zinc/73/94/52/799739452.db2.gz WPTMUCVNFQLVLN-UHFFFAOYSA-N 2 0 339.443 2.170 20 30 EEEDRP C=CCC[NH2+]CCCCCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001179620416 800027135 /nfs/dbraw/zinc/02/71/35/800027135.db2.gz NNUVCCLVWIVNDJ-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001180222610 800315669 /nfs/dbraw/zinc/31/56/69/800315669.db2.gz QLZJGQRAOIEHLD-LPHOPBHVSA-N 2 0 345.462 2.096 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001004201976 801254992 /nfs/dbraw/zinc/25/49/92/801254992.db2.gz UGVULPUOOBPBRT-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC001183365394 801569476 /nfs/dbraw/zinc/56/94/76/801569476.db2.gz JSPSQAKHGYSAKE-GOSISDBHSA-N 2 0 342.487 2.247 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001184496620 802037446 /nfs/dbraw/zinc/03/74/46/802037446.db2.gz DJXKBKBGMRZUBN-LSDHHAIUSA-N 2 0 333.501 2.131 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946616207 802175177 /nfs/dbraw/zinc/17/51/77/802175177.db2.gz ZQDRLQFCTDBUIE-IYBDPMFKSA-N 2 0 345.512 2.227 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946624007 802294621 /nfs/dbraw/zinc/29/46/21/802294621.db2.gz YJIZAMJYEYPFKC-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033159972 802685405 /nfs/dbraw/zinc/68/54/05/802685405.db2.gz CDXCPIHBSAUSKX-OALUTQOASA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001005004887 803435003 /nfs/dbraw/zinc/43/50/03/803435003.db2.gz QHFPZEFYJUARGN-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169807962 804083709 /nfs/dbraw/zinc/08/37/09/804083709.db2.gz AHDBIEKABCWBIR-APWZRJJASA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001445868769 1091792186 /nfs/dbraw/zinc/79/21/86/1091792186.db2.gz HSLNNEJSCVGYBA-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001439267563 1091924208 /nfs/dbraw/zinc/92/42/08/1091924208.db2.gz VJIMTLZYWYEMRX-HNNXBMFYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001480708782 1106921517 /nfs/dbraw/zinc/92/15/17/1106921517.db2.gz QQIPLFRJDOCHIA-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001480708779 1106930459 /nfs/dbraw/zinc/93/04/59/1106930459.db2.gz QQIPLFRJDOCHIA-KGLIPLIRSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001498493694 1107629577 /nfs/dbraw/zinc/62/95/77/1107629577.db2.gz YVOLICZUMZDNHM-LSDHHAIUSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396217 781923324 /nfs/dbraw/zinc/92/33/24/781923324.db2.gz JRCFRMUFIDETBU-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000491717297 533164305 /nfs/dbraw/zinc/16/43/05/533164305.db2.gz WAMXTVUOMVPMPS-KRWDZBQOSA-N 2 0 327.472 2.148 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000076894058 159092300 /nfs/dbraw/zinc/09/23/00/159092300.db2.gz VSIKOTKUBORHHT-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000328736049 465113485 /nfs/dbraw/zinc/11/34/85/465113485.db2.gz JJKRMZNZFMEENQ-ZNNBLSDJSA-N 2 0 336.480 2.399 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CC#N)cc1 ZINC000270248784 464233423 /nfs/dbraw/zinc/23/34/23/464233423.db2.gz DYXDIIXFLKJRIV-LJQANCHMSA-N 2 0 342.487 2.241 20 30 EEEDRP COCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270547574 464260833 /nfs/dbraw/zinc/26/08/33/464260833.db2.gz FFAPPXDIYJQNPT-WFASDCNBSA-N 2 0 342.846 2.023 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000264113737 464284878 /nfs/dbraw/zinc/28/48/78/464284878.db2.gz RXJWQUAUJBXOFD-UHFFFAOYSA-N 2 0 348.491 2.396 20 30 EEEDRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330598413 465723441 /nfs/dbraw/zinc/72/34/41/465723441.db2.gz FIDBYGBIRVVEIY-CQSZACIVSA-N 2 0 338.496 2.011 20 30 EEEDRP C[N@@H+]1CCC[C@@H](N2CCN(CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000363219526 466290823 /nfs/dbraw/zinc/29/08/23/466290823.db2.gz SPAHIOHCPINOHV-LJQANCHMSA-N 2 0 342.487 2.039 20 30 EEEDRP C[C@H](CCC#N)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000411400555 466820414 /nfs/dbraw/zinc/82/04/14/466820414.db2.gz UTGKKKOIZUULSI-QGZVFWFLSA-N 2 0 334.508 2.383 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](C(C)C)CC1)C(C)C ZINC000503391454 467938206 /nfs/dbraw/zinc/93/82/06/467938206.db2.gz LHVJPFDHJUSFPU-SFHVURJKSA-N 2 0 336.524 2.421 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714671 468630387 /nfs/dbraw/zinc/63/03/87/468630387.db2.gz BBXROSLALKFUSN-ZIFCJYIRSA-N 2 0 345.487 2.256 20 30 EEEDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)C[NH+]1CCCCC1 ZINC000600717529 468632061 /nfs/dbraw/zinc/63/20/61/468632061.db2.gz BNZOHLNCDKSBIO-FUHWJXTLSA-N 2 0 331.460 2.010 20 30 EEEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595504075 468879887 /nfs/dbraw/zinc/87/98/87/468879887.db2.gz DRKQHBMDWRIDPR-LJQANCHMSA-N 2 0 326.444 2.305 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000730098467 576714309 /nfs/dbraw/zinc/71/43/09/576714309.db2.gz GUWRSBYXJFDCMT-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021285148 675916470 /nfs/dbraw/zinc/91/64/70/675916470.db2.gz CXFCGGUVPGKSAA-IPQPSQTFSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC(C)C)CC[C@@H]32)CC1 ZINC001021740187 676399319 /nfs/dbraw/zinc/39/93/19/676399319.db2.gz RCMBDWZJSBFDSF-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022068977 676633318 /nfs/dbraw/zinc/63/33/18/676633318.db2.gz FGONMBREJIEFSE-VBQJREDUSA-N 2 0 346.500 2.229 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001022436812 676901159 /nfs/dbraw/zinc/90/11/59/676901159.db2.gz QVCGTIOUGGLKBS-HDICACEKSA-N 2 0 345.406 2.257 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC000972329758 678552243 /nfs/dbraw/zinc/55/22/43/678552243.db2.gz BBBPVYQZYONQLW-APWZRJJASA-N 2 0 340.471 2.075 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642170 681950460 /nfs/dbraw/zinc/95/04/60/681950460.db2.gz QQQNIIZMYGSNHH-JYAXBFRTSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025253979 682343029 /nfs/dbraw/zinc/34/30/29/682343029.db2.gz YSUKLSGYKQGDKA-OALUTQOASA-N 2 0 336.439 2.427 20 30 EEEDRP C=CC[C@@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894460915 682909815 /nfs/dbraw/zinc/90/98/15/682909815.db2.gz IFNCITUAMLBDAD-ZDUSSCGKSA-N 2 0 328.359 2.096 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984042787 684013770 /nfs/dbraw/zinc/01/37/70/684013770.db2.gz PKXSBNJUZOPDRJ-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001026606505 684782945 /nfs/dbraw/zinc/78/29/45/684782945.db2.gz GOYYAKDLLHKQQB-UHFFFAOYSA-N 2 0 346.500 2.233 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000985146854 685849836 /nfs/dbraw/zinc/84/98/36/685849836.db2.gz UTCPYKYIYXDIDI-UAPYVXQJSA-N 2 0 331.504 2.006 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262450567 686124537 /nfs/dbraw/zinc/12/45/37/686124537.db2.gz VXHZMCJUCHOELZ-FCEWJHQRSA-N 2 0 336.524 2.183 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029843184 687293307 /nfs/dbraw/zinc/29/33/07/687293307.db2.gz FHXJQWZPJAMJSA-MOPGFXCFSA-N 2 0 342.487 2.179 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001029971009 688748256 /nfs/dbraw/zinc/74/82/56/688748256.db2.gz CEGCUDLDPFTWMU-UUKMXZOPSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241291 692086201 /nfs/dbraw/zinc/08/62/01/692086201.db2.gz MWFCFJBALDUZTG-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)cnc4c3)CCC[C@H]12 ZINC000990712391 693276336 /nfs/dbraw/zinc/27/63/36/693276336.db2.gz NZRNBHFNBDVQAX-FXAWDEMLSA-N 2 0 336.439 2.393 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518899 1192328721 /nfs/dbraw/zinc/32/87/21/1192328721.db2.gz UDULCCUNQKWLSU-APWZRJJASA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947909229 1192500367 /nfs/dbraw/zinc/50/03/67/1192500367.db2.gz YGSUHHNTHCEBGA-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001481858006 1182809017 /nfs/dbraw/zinc/80/90/17/1182809017.db2.gz YVKBCUYTWBJFHT-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC000945177593 1193413665 /nfs/dbraw/zinc/41/36/65/1193413665.db2.gz BKFOCKMKKHRLNE-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)CC1 ZINC001272888054 1193591877 /nfs/dbraw/zinc/59/18/77/1193591877.db2.gz NKHUQWAIZRMRKN-UHFFFAOYSA-N 2 0 346.519 2.337 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001483908471 1191120367 /nfs/dbraw/zinc/12/03/67/1191120367.db2.gz KVVWOFBKGLJJBC-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038908 1194344088 /nfs/dbraw/zinc/34/40/88/1194344088.db2.gz KJMFUDJTTLHCJQ-HXUWFJFHSA-N 2 0 347.503 2.136 20 30 EEEDRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033777377 1195262293 /nfs/dbraw/zinc/26/22/93/1195262293.db2.gz VIFDQZNONZTPBT-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)CC1 ZINC001005406874 1195408783 /nfs/dbraw/zinc/40/87/83/1195408783.db2.gz JEXWCJCLPGZNHE-GOSISDBHSA-N 2 0 345.491 2.289 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005477952 1195526042 /nfs/dbraw/zinc/52/60/42/1195526042.db2.gz ZXHZCAFRFIWBTM-UHFFFAOYSA-N 2 0 333.501 2.369 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001034973016 1196929458 /nfs/dbraw/zinc/92/94/58/1196929458.db2.gz JSBJCAHNQYRLRK-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132870100 1200133005 /nfs/dbraw/zinc/13/30/05/1200133005.db2.gz QCFODEWGCFVAIE-GOEBONIOSA-N 2 0 333.501 2.131 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165445 1200539418 /nfs/dbraw/zinc/53/94/18/1200539418.db2.gz GYESNSDAXGNRTK-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+](CC)CC ZINC001133684700 1201196481 /nfs/dbraw/zinc/19/64/81/1201196481.db2.gz LMOIKRRNGREINP-KRWDZBQOSA-N 2 0 334.439 2.024 20 30 EEEDRP COCCC[N@@H+]1CCC[C@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940287 1205211104 /nfs/dbraw/zinc/21/11/04/1205211104.db2.gz XQAVUYWSTJJQDI-IBGZPJMESA-N 2 0 330.476 2.221 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2ccnc2)c1 ZINC001275268503 1205294928 /nfs/dbraw/zinc/29/49/28/1205294928.db2.gz GQGXAIJNLRPQJN-RTBURBONSA-N 2 0 349.438 2.020 20 30 EEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cccnc2)CC3)cc1C#N ZINC001275885097 1205575831 /nfs/dbraw/zinc/57/58/31/1205575831.db2.gz WMEFJSVUYSTORC-UHFFFAOYSA-N 2 0 335.455 2.390 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCCN3C)n[nH]1)C2 ZINC001095442329 1205758420 /nfs/dbraw/zinc/75/84/20/1205758420.db2.gz VTYVVBQJAVJCSO-NONVJHHQSA-N 2 0 343.475 2.088 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(F)F ZINC000303770290 1213903983 /nfs/dbraw/zinc/90/39/83/1213903983.db2.gz BVJLSJCWJIWZBZ-CYBMUJFWSA-N 2 0 326.391 2.177 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC(C)C)cc1 ZINC000303891720 1213921269 /nfs/dbraw/zinc/92/12/69/1213921269.db2.gz NHCJTIGZFAYMGU-QGZVFWFLSA-N 2 0 332.492 2.405 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552200 1215203928 /nfs/dbraw/zinc/20/39/28/1215203928.db2.gz IOXKHAPSNMHETH-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568144 1215218694 /nfs/dbraw/zinc/21/86/94/1215218694.db2.gz FALVVFODDMODIX-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2ccccc2)n1 ZINC000304741421 1216102633 /nfs/dbraw/zinc/10/26/33/1216102633.db2.gz CCNIBSJCKJVPBN-MRXNPFEDSA-N 2 0 327.432 2.230 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C(C)C)CC1 ZINC000960334468 1216501246 /nfs/dbraw/zinc/50/12/46/1216501246.db2.gz QJCYLFIKZCSEDL-WOJBJXKFSA-N 2 0 339.483 2.112 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961029016 1217014271 /nfs/dbraw/zinc/01/42/71/1217014271.db2.gz PRIPUTAFVPLLCG-OAHLLOKOSA-N 2 0 346.500 2.138 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230131 1217099333 /nfs/dbraw/zinc/09/93/33/1217099333.db2.gz KLTMRXQSZXMAAK-RBUKOAKNSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277535 1217124020 /nfs/dbraw/zinc/12/40/20/1217124020.db2.gz SZVHMSDFTJTDHO-QZTJIDSGSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1CC ZINC001037985320 1220891081 /nfs/dbraw/zinc/89/10/81/1220891081.db2.gz VBXZVXQTIHMGCZ-IEBWSBKVSA-N 2 0 327.472 2.212 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968850745 1221621330 /nfs/dbraw/zinc/62/13/30/1221621330.db2.gz HICFFVCCYWNTAV-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007493850 1222258677 /nfs/dbraw/zinc/25/86/77/1222258677.db2.gz VSYNZZZDCSVNTQ-HZPDHXFCSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001016335832 1226359002 /nfs/dbraw/zinc/35/90/02/1226359002.db2.gz GBZWATRGPBOYPF-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3csc(C)c3)C2)CC1 ZINC001016336859 1226360740 /nfs/dbraw/zinc/36/07/40/1226360740.db2.gz NTWKOIFZPSISBZ-GOSISDBHSA-N 2 0 345.512 2.092 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001016340732 1226367160 /nfs/dbraw/zinc/36/71/60/1226367160.db2.gz ZKEVZLDTNROUKZ-PMACEKPBSA-N 2 0 339.483 2.103 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016631500 1226706629 /nfs/dbraw/zinc/70/66/29/1226706629.db2.gz SSLMRKCIFCKCCM-XHSDSOJGSA-N 2 0 339.911 2.440 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818082 1226901236 /nfs/dbraw/zinc/90/12/36/1226901236.db2.gz BHIAMOKWMODRDG-UZLBHIALSA-N 2 0 349.494 2.193 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018938473 1228552402 /nfs/dbraw/zinc/55/24/02/1228552402.db2.gz PRDLUKYRXRXGBT-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2ccccc2)CC1 ZINC001039041535 1230258148 /nfs/dbraw/zinc/25/81/48/1230258148.db2.gz FAWPSJTWXLOIQM-XLIONFOSSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039385095 1230570256 /nfs/dbraw/zinc/57/02/56/1230570256.db2.gz YBCRDWJSVHZQRP-QRVBRYPASA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200914 1231096992 /nfs/dbraw/zinc/09/69/92/1231096992.db2.gz JHRKOIRJABWEQR-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001040954313 1231409292 /nfs/dbraw/zinc/40/92/92/1231409292.db2.gz WRSGBJLKRPULOC-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845577 1231728773 /nfs/dbraw/zinc/72/87/73/1231728773.db2.gz ISBFYTRPEJNYSO-ICSRJNTNSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001044674968 1233169596 /nfs/dbraw/zinc/16/95/96/1233169596.db2.gz YTLIIPFGCRVBRW-CVEARBPZSA-N 2 0 339.443 2.426 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044859014 1233321877 /nfs/dbraw/zinc/32/18/77/1233321877.db2.gz YVEMNPJVIVMUOF-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982102 1234275318 /nfs/dbraw/zinc/27/53/18/1234275318.db2.gz NWYZTSDJFLNIGV-HXUWFJFHSA-N 2 0 342.487 2.081 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046942524 1235335923 /nfs/dbraw/zinc/33/59/23/1235335923.db2.gz KEGUUOZEQGCARD-JKSUJKDBSA-N 2 0 343.462 2.224 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583165 1238022173 /nfs/dbraw/zinc/02/21/73/1238022173.db2.gz DWACDOHKJYDAAW-OMZCGLGVSA-N 2 0 345.531 2.489 20 30 EEEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821204 1238741006 /nfs/dbraw/zinc/74/10/06/1238741006.db2.gz VPHCZLNIMDNRBA-KURKYZTESA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001049001548 1239711287 /nfs/dbraw/zinc/71/12/87/1239711287.db2.gz YOUWANVUIIOWRJ-QRVBRYPASA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058614 1239884260 /nfs/dbraw/zinc/88/42/60/1239884260.db2.gz GTPPQMMPMYLZOX-JTDSTZFVSA-N 2 0 337.483 2.165 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049147351 1240120116 /nfs/dbraw/zinc/12/01/16/1240120116.db2.gz UMJKEWGQEMQPOE-CALCHBBNSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC[C@H](C)F)CC1 ZINC001049909452 1242656675 /nfs/dbraw/zinc/65/66/75/1242656675.db2.gz BGNQRWSOINMKQF-QXAKKESOSA-N 2 0 349.494 2.145 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140241 1242965626 /nfs/dbraw/zinc/96/56/26/1242965626.db2.gz KJUGTBPSCPTSNQ-SQGPQFPESA-N 2 0 349.494 2.145 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050648668 1244030688 /nfs/dbraw/zinc/03/06/88/1244030688.db2.gz LKUZUOLWUNAAID-OAHLLOKOSA-N 2 0 327.900 2.250 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052789590 1244991452 /nfs/dbraw/zinc/99/14/52/1244991452.db2.gz YUUZNFIMDKBNKL-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC[C@@H](C)F)CC2)CC1 ZINC001052958381 1245557030 /nfs/dbraw/zinc/55/70/30/1245557030.db2.gz MPNKSAJDCAKPFZ-SJLPKXTDSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053099720 1245904607 /nfs/dbraw/zinc/90/46/07/1245904607.db2.gz XZWILHVLTRCISB-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101574864 1245978880 /nfs/dbraw/zinc/97/88/80/1245978880.db2.gz HGZFIUDHBNSPGO-FUHWJXTLSA-N 2 0 333.520 2.062 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448177 1247307847 /nfs/dbraw/zinc/30/78/47/1247307847.db2.gz WNQCUSOMRZLCMY-IEBWSBKVSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129271 1247472423 /nfs/dbraw/zinc/47/24/23/1247472423.db2.gz NWBRKAQTJOUZCS-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054140061 1247499810 /nfs/dbraw/zinc/49/98/10/1247499810.db2.gz YUNPDYODLJTGAB-LJQANCHMSA-N 2 0 345.512 2.371 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190047 1247662354 /nfs/dbraw/zinc/66/23/54/1247662354.db2.gz BPSSLNSXUUUMKK-SFHVURJKSA-N 2 0 339.911 2.395 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001071243780 1254089404 /nfs/dbraw/zinc/08/94/04/1254089404.db2.gz LGJHASJJIUDLEW-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098990958 1257918378 /nfs/dbraw/zinc/91/83/78/1257918378.db2.gz LKKMJOTWFIUCOT-HBFSDRIKSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)CC1 ZINC001101024642 1259576926 /nfs/dbraw/zinc/57/69/26/1259576926.db2.gz ASPXOZNNELMIGF-UHFFFAOYSA-N 2 0 333.520 2.252 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298726 1278314895 /nfs/dbraw/zinc/31/48/95/1278314895.db2.gz OQNBFQWKKNNBMZ-JKSUJKDBSA-N 2 0 342.487 2.273 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C[C@@H]1C ZINC001185789888 1278783334 /nfs/dbraw/zinc/78/33/34/1278783334.db2.gz WFPGBPGBPMHUIZ-ICSRJNTNSA-N 2 0 341.499 2.216 20 30 EEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177605 1280723712 /nfs/dbraw/zinc/72/37/12/1280723712.db2.gz RBJCEXPOLNMJTM-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655898 1280998081 /nfs/dbraw/zinc/99/80/81/1280998081.db2.gz QYLMNARSBOUPHJ-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029973 1281183700 /nfs/dbraw/zinc/18/37/00/1281183700.db2.gz PICKTPOIJDQHLE-SFHVURJKSA-N 2 0 330.476 2.407 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192958167 1282246317 /nfs/dbraw/zinc/24/63/17/1282246317.db2.gz FPMYMAHGILSFCK-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001205759718 1283910484 /nfs/dbraw/zinc/91/04/84/1283910484.db2.gz WUVPKIDWMPAJLH-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198618247 1285274496 /nfs/dbraw/zinc/27/44/96/1285274496.db2.gz XKMDZCDGHSSWOP-DLBZAZTESA-N 2 0 331.460 2.112 20 30 EEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198983993 1285460559 /nfs/dbraw/zinc/46/05/59/1285460559.db2.gz LLBNOFLRQJCLMX-SJLPKXTDSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198985545 1285474223 /nfs/dbraw/zinc/47/42/23/1285474223.db2.gz ZPZYPWAURCQHHP-WMZOPIPTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCO1 ZINC001201558265 1289665228 /nfs/dbraw/zinc/66/52/28/1289665228.db2.gz NGOQLIMJVWXWLS-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001073111954 1296532564 /nfs/dbraw/zinc/53/25/64/1296532564.db2.gz FGPVWTYPRDMSIT-UHFFFAOYSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001073116266 1296539101 /nfs/dbraw/zinc/53/91/01/1296539101.db2.gz IEKRQTHUZOMKGY-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166249 1297046920 /nfs/dbraw/zinc/04/69/20/1297046920.db2.gz UTXLVGIWHMEZIJ-SJLPKXTDSA-N 2 0 345.491 2.092 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C)[NH+](C)C ZINC001074711059 1298269021 /nfs/dbraw/zinc/26/90/21/1298269021.db2.gz OQPWKXXEIWVCKN-DOPJRALCSA-N 2 0 346.450 2.117 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC/C=C\CC)C[C@H]32)CC1 ZINC001222043889 1299299829 /nfs/dbraw/zinc/29/98/29/1299299829.db2.gz HAKVDSRWXWVPLP-SBUVDCAVSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619198 1303326816 /nfs/dbraw/zinc/32/68/16/1303326816.db2.gz VZPUMPGCLKKKDB-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846361 1303497780 /nfs/dbraw/zinc/49/77/80/1303497780.db2.gz HDOUMRMMKLURLY-GOSISDBHSA-N 2 0 344.503 2.308 20 30 EEEDRP N#Cc1cncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000721622667 1303799760 /nfs/dbraw/zinc/79/97/60/1303799760.db2.gz KEGUMANEWOVFNM-UHFFFAOYSA-N 2 0 336.439 2.070 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112116966 1304254453 /nfs/dbraw/zinc/25/44/53/1304254453.db2.gz KTUHHNQARJROEZ-RRFJBIMHSA-N 2 0 347.425 2.416 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592010 1305465413 /nfs/dbraw/zinc/46/54/13/1305465413.db2.gz OPHRYYICFZKBEI-UHFFFAOYSA-N 2 0 331.504 2.294 20 30 EEEDRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCCC1 ZINC001115707973 1305643358 /nfs/dbraw/zinc/64/33/58/1305643358.db2.gz HFXOPGZWKORVNP-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768780 1305753330 /nfs/dbraw/zinc/75/33/30/1305753330.db2.gz GSBPBAGHUFAWAQ-ZWKOTPCHSA-N 2 0 331.504 2.435 20 30 EEEDRP C=CCOc1ccccc1C[N@@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001237430207 1305928215 /nfs/dbraw/zinc/92/82/15/1305928215.db2.gz KLJUVMHSXPLAFJ-QGZVFWFLSA-N 2 0 344.455 2.226 20 30 EEEDRP Cc1cc(OC2CC[NH2+]CC2)nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)n1 ZINC001240338166 1309308595 /nfs/dbraw/zinc/30/85/95/1309308595.db2.gz NSVQOWHTGSXDIF-UHFFFAOYSA-N 2 0 349.438 2.141 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448660 1309545138 /nfs/dbraw/zinc/54/51/38/1309545138.db2.gz DCAKGLOWBRLXOD-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470689 1309567134 /nfs/dbraw/zinc/56/71/34/1309567134.db2.gz SVNJDJJJIURCQS-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001121117709 1309920800 /nfs/dbraw/zinc/92/08/00/1309920800.db2.gz QTANJENPUCBOPT-FKXCTXBZSA-N 2 0 331.504 2.454 20 30 EEEDRP C=CCCNC(=S)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001247627100 1310651785 /nfs/dbraw/zinc/65/17/85/1310651785.db2.gz CIMJYZIDAQHOBS-UHFFFAOYSA-N 2 0 328.570 2.423 20 30 EEEDRP C=CCN1CCN(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000840029921 1315278417 /nfs/dbraw/zinc/27/84/17/1315278417.db2.gz HNAJTTMYEXKBOV-UHFFFAOYSA-N 2 0 334.508 2.456 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142349526 1315578552 /nfs/dbraw/zinc/57/85/52/1315578552.db2.gz BBYUJKIINUJUJI-IBGZPJMESA-N 2 0 342.487 2.060 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606585 1316314003 /nfs/dbraw/zinc/31/40/03/1316314003.db2.gz HGOPTFXURNTHRE-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706787 1316349816 /nfs/dbraw/zinc/34/98/16/1316349816.db2.gz NKRFCTYFRGTAKQ-QZTJIDSGSA-N 2 0 339.524 2.116 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001151132535 1316456409 /nfs/dbraw/zinc/45/64/09/1316456409.db2.gz RSKOLUHQRWFNGE-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386713 1316665103 /nfs/dbraw/zinc/66/51/03/1316665103.db2.gz PBPJRSBZKYTXJT-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159327201 1319740690 /nfs/dbraw/zinc/74/06/90/1319740690.db2.gz ACVSCLFEWZCLQF-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679650 1320990655 /nfs/dbraw/zinc/99/06/55/1320990655.db2.gz LYFOKTDNTRRUOU-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP C[NH+]1CCN(c2ccc(NC=CC3CC[NH2+]CC3)cc2C#N)CC1 ZINC001165213223 1321474063 /nfs/dbraw/zinc/47/40/63/1321474063.db2.gz POROVHHLACURCP-TWGQIWQCSA-N 2 0 325.460 2.235 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC001207367913 1323948756 /nfs/dbraw/zinc/94/87/56/1323948756.db2.gz WZKIFPUAGYBLMD-LJQANCHMSA-N 2 0 335.536 2.483 20 30 EEEDRP C=CCOC(=O)N1CCC2(C[NH+](CCC3CC[NH+](C)CC3)C2)CC1 ZINC001207479381 1323988184 /nfs/dbraw/zinc/98/81/84/1323988184.db2.gz HBTQNYQUJVXIJB-UHFFFAOYSA-N 2 0 335.492 2.439 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784087 1324148330 /nfs/dbraw/zinc/14/83/30/1324148330.db2.gz DSOCVEGJYLYQOD-SJLPKXTDSA-N 2 0 330.476 2.311 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202465 1371156836 /nfs/dbraw/zinc/15/68/36/1371156836.db2.gz BIMULDKCAGMRAB-XYPHTWIQSA-N 2 0 339.911 2.155 20 30 EEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122063763 1371943078 /nfs/dbraw/zinc/94/30/78/1371943078.db2.gz MSLHMXRZCKVIJE-KZIPQDEESA-N 2 0 331.504 2.454 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001122064176 1371943239 /nfs/dbraw/zinc/94/32/39/1371943239.db2.gz VFLKGHXXMDXRGI-YYIRHMBSSA-N 2 0 331.504 2.147 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058839 1374090680 /nfs/dbraw/zinc/09/06/80/1374090680.db2.gz AUCMYGNKGVREGW-OALUTQOASA-N 2 0 342.487 2.177 20 30 EEEDRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001378302951 1379851996 /nfs/dbraw/zinc/85/19/96/1379851996.db2.gz ZXEQMMNKYSWOET-OAHLLOKOSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001380286786 1381152410 /nfs/dbraw/zinc/15/24/10/1381152410.db2.gz PPMIPXSTKOZZDX-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001380290145 1381154473 /nfs/dbraw/zinc/15/44/73/1381154473.db2.gz IAYKFMYUHPCKCF-INIZCTEOSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001381121337 1381520896 /nfs/dbraw/zinc/52/08/96/1381520896.db2.gz DLGCDAFNXRMRDC-HOCLYGCPSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753039668 1406623055 /nfs/dbraw/zinc/62/30/55/1406623055.db2.gz HSOUOZSSPRCUDT-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001399719253 1395439285 /nfs/dbraw/zinc/43/92/85/1395439285.db2.gz ILLYOGDYSLVZHR-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001400720947 1396555644 /nfs/dbraw/zinc/55/56/44/1396555644.db2.gz JKEOPJFBUPIGCV-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2C)CC1 ZINC001755328891 1407327687 /nfs/dbraw/zinc/32/76/87/1407327687.db2.gz UTGYHFJLPDJUKZ-GOSISDBHSA-N 2 0 341.499 2.277 20 30 EEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755566868 1407638060 /nfs/dbraw/zinc/63/80/60/1407638060.db2.gz CEOGFYIHSHKNEB-QFBILLFUSA-N 2 0 337.483 2.049 20 30 EEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001100675962 1410694704 /nfs/dbraw/zinc/69/47/04/1410694704.db2.gz FCVJRKZLDRVDJZ-UHFFFAOYSA-N 2 0 329.488 2.465 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001167242497 757560191 /nfs/dbraw/zinc/56/01/91/757560191.db2.gz ADRAMFDOSDVGQX-UHFFFAOYSA-N 2 0 341.499 2.060 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087304132 761544923 /nfs/dbraw/zinc/54/49/23/761544923.db2.gz XUPLIKWEXFCZSN-BHIYHBOVSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304135 761545118 /nfs/dbraw/zinc/54/51/18/761545118.db2.gz XUPLIKWEXFCZSN-QRQLOZEOSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C[C@@H](C)O2 ZINC001098603028 764968194 /nfs/dbraw/zinc/96/81/94/764968194.db2.gz JDELEZLLPDOXAH-MSOLQXFVSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC(C)(C)C1 ZINC001089495645 769883135 /nfs/dbraw/zinc/88/31/35/769883135.db2.gz YBJPVVOIRRYTKI-BZUAXINKSA-N 2 0 330.476 2.316 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001131696863 783095520 /nfs/dbraw/zinc/09/55/20/783095520.db2.gz BZSWMGQYXLWTHG-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040894713 775196459 /nfs/dbraw/zinc/19/64/59/775196459.db2.gz NEWXOQZCOKDSDP-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991786779 790495149 /nfs/dbraw/zinc/49/51/49/790495149.db2.gz SPPMACXBLORUCZ-UYAOXDASSA-N 2 0 349.438 2.017 20 30 EEEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001089839274 777494537 /nfs/dbraw/zinc/49/45/37/777494537.db2.gz RWLGGQXHPJESDU-KNTRFNDTSA-N 2 0 348.450 2.140 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000981527868 777591782 /nfs/dbraw/zinc/59/17/82/777591782.db2.gz METSMRDVQJSUKN-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC[C@H](C)F)C3)CC1 ZINC000982162290 779180987 /nfs/dbraw/zinc/18/09/87/779180987.db2.gz MIVWEYWOMBPFSC-KRWDZBQOSA-N 2 0 349.494 2.004 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279742 779507807 /nfs/dbraw/zinc/50/78/07/779507807.db2.gz GGSFXIYVDKGTTQ-RLLQIKCJSA-N 2 0 331.504 2.075 20 30 EEEDRP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261695071 780422528 /nfs/dbraw/zinc/42/25/28/780422528.db2.gz FNUXDRJGIPAOII-MQIPJXDCSA-N 2 0 333.480 2.043 20 30 EEEDRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088857974 790814337 /nfs/dbraw/zinc/81/43/37/790814337.db2.gz LDMVXQSAPGMIQS-FCEWJHQRSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391908 783687317 /nfs/dbraw/zinc/68/73/17/783687317.db2.gz WBWNZELLUSVSRC-STQMWFEESA-N 2 0 346.313 2.110 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035538350 784641772 /nfs/dbraw/zinc/64/17/72/784641772.db2.gz ZQBRILDRHIABDN-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1 ZINC001035724681 785023437 /nfs/dbraw/zinc/02/34/37/785023437.db2.gz OGYQGTGSDRKXGC-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794518 785144702 /nfs/dbraw/zinc/14/47/02/785144702.db2.gz FALCWXLWKWOIIV-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC1(C)C ZINC000996525280 786499724 /nfs/dbraw/zinc/49/97/24/786499724.db2.gz JPYPTNYDIUWZRS-OAHLLOKOSA-N 2 0 336.867 2.340 20 30 EEEDRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996611607 786796228 /nfs/dbraw/zinc/79/62/28/786796228.db2.gz MZQBUKYPIQJBMF-MRXNPFEDSA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996670972 787090407 /nfs/dbraw/zinc/09/04/07/787090407.db2.gz LLJMTSVMRPNLGK-HNNXBMFYSA-N 2 0 327.900 2.442 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1)[NH+](C)C ZINC000996712448 787242552 /nfs/dbraw/zinc/24/25/52/787242552.db2.gz OYFDHDSWVKGGPJ-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000911743453 787680143 /nfs/dbraw/zinc/68/01/43/787680143.db2.gz CTIGCMYRASXIHS-IAGOWNOFSA-N 2 0 345.443 2.218 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923348364 789411349 /nfs/dbraw/zinc/41/13/49/789411349.db2.gz FDSYRCWLFUQICX-QZTJIDSGSA-N 2 0 348.487 2.224 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001171159995 789558614 /nfs/dbraw/zinc/55/86/14/789558614.db2.gz CFVYMKVOQJAGSM-GJZGRUSLSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657888 791903341 /nfs/dbraw/zinc/90/33/41/791903341.db2.gz GPFUOLCGWWVCEN-INIZCTEOSA-N 2 0 325.472 2.167 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998266057 792396467 /nfs/dbraw/zinc/39/64/67/792396467.db2.gz HIRIBUPZWSZVCS-CHWSQXEVSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925305 792998299 /nfs/dbraw/zinc/99/82/99/792998299.db2.gz RZDBZLSLCOUGHS-CEXWTWQISA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001086951622 793084117 /nfs/dbraw/zinc/08/41/17/793084117.db2.gz LBGCKGBRTPDIAV-GOSISDBHSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001086951623 793084225 /nfs/dbraw/zinc/08/42/25/793084225.db2.gz LBGCKGBRTPDIAV-SFHVURJKSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311769 793628884 /nfs/dbraw/zinc/62/88/84/793628884.db2.gz BRGNOUGMRVGKRY-ICSRJNTNSA-N 2 0 325.456 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC2)CC1 ZINC001089259187 793781158 /nfs/dbraw/zinc/78/11/58/793781158.db2.gz GCWUQLKQSUXQJW-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992400443 793965175 /nfs/dbraw/zinc/96/51/75/793965175.db2.gz DQLCHFIMNDAPSW-AZUAARDMSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036747003 794755219 /nfs/dbraw/zinc/75/52/19/794755219.db2.gz CAIILTZTVHEGCS-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)CC1 ZINC000999868718 795062221 /nfs/dbraw/zinc/06/22/21/795062221.db2.gz ADFCFTOLYSPGLY-UHFFFAOYSA-N 2 0 343.515 2.411 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441360 796015268 /nfs/dbraw/zinc/01/52/68/796015268.db2.gz KABOCBVORRSYBH-IIDMSEBBSA-N 2 0 325.472 2.212 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001081173907 796669071 /nfs/dbraw/zinc/66/90/71/796669071.db2.gz UIICUVYKGZPZHP-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819205 797024132 /nfs/dbraw/zinc/02/41/32/797024132.db2.gz JZJPZEKJFABBDB-MSOLQXFVSA-N 2 0 331.504 2.005 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](OC)C1 ZINC001082392736 797493068 /nfs/dbraw/zinc/49/30/68/797493068.db2.gz XNHLIPBJWPDAIH-SJLPKXTDSA-N 2 0 349.475 2.127 20 30 EEEDRP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099300023 797655397 /nfs/dbraw/zinc/65/53/97/797655397.db2.gz YTIIFVCSSWMEAH-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994490628 798083655 /nfs/dbraw/zinc/08/36/55/798083655.db2.gz WCZVMRWUMGUWSK-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346581 798160592 /nfs/dbraw/zinc/16/05/92/798160592.db2.gz QWYOJRZONMSLJR-ZIFCJYIRSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382776 798287299 /nfs/dbraw/zinc/28/72/99/798287299.db2.gz UXUMLSLOZONBQF-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176157172 798373209 /nfs/dbraw/zinc/37/32/09/798373209.db2.gz NTLPQCSTHUNDGI-IRXDYDNUSA-N 2 0 327.513 2.184 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566146 798500022 /nfs/dbraw/zinc/50/00/22/798500022.db2.gz YTTPIMAMKSWLMZ-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566145 798500064 /nfs/dbraw/zinc/50/00/64/798500064.db2.gz YTTPIMAMKSWLMZ-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2c(C)cccc2C)CC1 ZINC001176926664 798631157 /nfs/dbraw/zinc/63/11/57/798631157.db2.gz SCGYPMNQJAMJBT-UHFFFAOYSA-N 2 0 341.499 2.245 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108051323 798651095 /nfs/dbraw/zinc/65/10/95/798651095.db2.gz ISZWDWRRXVZGTF-LJQANCHMSA-N 2 0 342.443 2.121 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176986111 798674335 /nfs/dbraw/zinc/67/43/35/798674335.db2.gz FAYIWTDCNPTNRM-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001177416235 798934220 /nfs/dbraw/zinc/93/42/20/798934220.db2.gz WZUMXGYMFPIFTJ-HKUYNNGSSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177462844 798949100 /nfs/dbraw/zinc/94/91/00/798949100.db2.gz BACUSPQYKIBCOM-UHFFFAOYSA-N 2 0 331.504 2.104 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003372965 799576484 /nfs/dbraw/zinc/57/64/84/799576484.db2.gz OMUGYCJCJDNSIH-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035393 800235785 /nfs/dbraw/zinc/23/57/85/800235785.db2.gz BUVCEPRNICDDDP-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181728253 800882329 /nfs/dbraw/zinc/88/23/29/800882329.db2.gz JBQICPUWZRGHTA-QWFCFKBJSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590720 801612458 /nfs/dbraw/zinc/61/24/58/801612458.db2.gz HVRHJOFDKCGHLT-ZCNNSNEGSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184882869 802223880 /nfs/dbraw/zinc/22/38/80/802223880.db2.gz OOZDACIQPJJPBU-ZWKOTPCHSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657875 802679600 /nfs/dbraw/zinc/67/96/00/802679600.db2.gz WQVXTLKFQLTMDE-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071557 802822364 /nfs/dbraw/zinc/82/23/64/802822364.db2.gz GAYUPFBVOKRZKY-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421696 803533399 /nfs/dbraw/zinc/53/33/99/803533399.db2.gz SQXSPMHTCWCAIR-IEBWSBKVSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001108780510 804502440 /nfs/dbraw/zinc/50/24/40/804502440.db2.gz DSIQZRGASRCDEX-OTWHNJEPSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCCCCC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196688 812546174 /nfs/dbraw/zinc/54/61/74/812546174.db2.gz RNJWUMUUSVFXKF-UHFFFAOYSA-N 2 0 327.432 2.333 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831697 1095890272 /nfs/dbraw/zinc/89/02/72/1095890272.db2.gz FJHPLHFWAKRMJT-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198553 1096478170 /nfs/dbraw/zinc/47/81/70/1096478170.db2.gz HAPHTQIIXGLJSC-GJZGRUSLSA-N 2 0 348.516 2.479 20 30 EEEDRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C#N)cc1 ZINC001442942573 1097354764 /nfs/dbraw/zinc/35/47/64/1097354764.db2.gz SYOXICAKGWWIBS-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444642398 1099472472 /nfs/dbraw/zinc/47/24/72/1099472472.db2.gz XKOYCDRFVIZMHU-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001480596384 1100444885 /nfs/dbraw/zinc/44/48/85/1100444885.db2.gz JJTWMOAQVDTVBI-AWEZNQCLSA-N 2 0 334.489 2.090 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001496371137 1100964667 /nfs/dbraw/zinc/96/46/67/1100964667.db2.gz YINGSIWYEFOFRL-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081021 1113192057 /nfs/dbraw/zinc/19/20/57/1113192057.db2.gz XEUSWRGJABMALU-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000491809149 246162234 /nfs/dbraw/zinc/16/22/34/246162234.db2.gz WZDCDKWYUVKNSM-ROUUACIJSA-N 2 0 341.499 2.394 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491815643 533147735 /nfs/dbraw/zinc/14/77/35/533147735.db2.gz VEHLWRXFZSUKNL-NRFANRHFSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877494 462649132 /nfs/dbraw/zinc/64/91/32/462649132.db2.gz XERSNHUTYVWFRZ-QGZVFWFLSA-N 2 0 334.508 2.010 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091517967 462886098 /nfs/dbraw/zinc/88/60/98/462886098.db2.gz XPPWFJAIUIPEDE-MRXNPFEDSA-N 2 0 332.492 2.407 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000491296293 468343784 /nfs/dbraw/zinc/34/37/84/468343784.db2.gz KXHXZUGBQXGQRQ-UHFFFAOYSA-N 2 0 348.535 2.239 20 30 EEEDRP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123396071 463338474 /nfs/dbraw/zinc/33/84/74/463338474.db2.gz UAJDDMNHIRUAGC-APWZRJJASA-N 2 0 336.524 2.483 20 30 EEEDRP N#CC1(c2ccccc2)CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000126853104 463666754 /nfs/dbraw/zinc/66/67/54/463666754.db2.gz RERPLEXATJCUKO-GPJFCIFZSA-N 2 0 327.472 2.437 20 30 EEEDRP N#C[C@H]1CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185756575 463873984 /nfs/dbraw/zinc/87/39/84/463873984.db2.gz AYFDIIIILSPCGI-PMACEKPBSA-N 2 0 326.488 2.476 20 30 EEEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000591022977 468395268 /nfs/dbraw/zinc/39/52/68/468395268.db2.gz NGGSELYNYGVDCO-OAHLLOKOSA-N 2 0 328.460 2.198 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000247588454 464696917 /nfs/dbraw/zinc/69/69/17/464696917.db2.gz JGVTVYHAEQTTMM-IRXDYDNUSA-N 2 0 336.524 2.447 20 30 EEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000295122472 464714204 /nfs/dbraw/zinc/71/42/04/464714204.db2.gz YUNQXCRVXLJBMN-OAHLLOKOSA-N 2 0 337.489 2.054 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000329687590 465406055 /nfs/dbraw/zinc/40/60/55/465406055.db2.gz BJDMPCLFLPFXPA-WBVHZDCISA-N 2 0 345.491 2.032 20 30 EEEDRP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918950 468433713 /nfs/dbraw/zinc/43/37/13/468433713.db2.gz LYUXYWASCREVHV-OAHLLOKOSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000329865254 465456281 /nfs/dbraw/zinc/45/62/81/465456281.db2.gz ADHJZBZASZDNOG-HZPDHXFCSA-N 2 0 345.491 2.163 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329879791 465459748 /nfs/dbraw/zinc/45/97/48/465459748.db2.gz MTBCIYXGHICWIA-GJZGRUSLSA-N 2 0 331.464 2.294 20 30 EEEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000424138061 466986777 /nfs/dbraw/zinc/98/67/77/466986777.db2.gz SZXAZIHDXMQNBU-ZWKOTPCHSA-N 2 0 328.460 2.131 20 30 EEEDRP CCCC[C@@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418445467 467112349 /nfs/dbraw/zinc/11/23/49/467112349.db2.gz NFAWAOCMBJWSGW-SFHVURJKSA-N 2 0 345.491 2.149 20 30 EEEDRP C=CCOc1ccccc1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433124806 467295327 /nfs/dbraw/zinc/29/53/27/467295327.db2.gz GBHXBOIDGYGWEW-UHFFFAOYSA-N 2 0 331.460 2.071 20 30 EEEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305935 467346761 /nfs/dbraw/zinc/34/67/61/467346761.db2.gz QDXCMEIGJUJTAB-HOTGVXAUSA-N 2 0 326.448 2.211 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000598722091 468973379 /nfs/dbraw/zinc/97/33/79/468973379.db2.gz YYQHETVAQGCWAI-LJQANCHMSA-N 2 0 345.487 2.034 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)C(C)C ZINC000572847601 469008505 /nfs/dbraw/zinc/00/85/05/469008505.db2.gz IMYJFFSRJDVJRU-GOSISDBHSA-N 2 0 336.524 2.455 20 30 EEEDRP C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610812971 469078846 /nfs/dbraw/zinc/07/88/46/469078846.db2.gz QWLVXCPPEFRJSF-MRXNPFEDSA-N 2 0 330.476 2.266 20 30 EEEDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCCC1 ZINC000574032832 469248147 /nfs/dbraw/zinc/24/81/47/469248147.db2.gz YFJJPUHBUOXOKW-IEBWSBKVSA-N 2 0 345.487 2.204 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968436 469593618 /nfs/dbraw/zinc/59/36/18/469593618.db2.gz ZIJMLLCKMBYIGQ-IAGOWNOFSA-N 2 0 334.508 2.126 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000610137455 469983277 /nfs/dbraw/zinc/98/32/77/469983277.db2.gz KWASMKCIXMMYFA-YTQUADARSA-N 2 0 345.487 2.297 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000764585513 577739451 /nfs/dbraw/zinc/73/94/51/577739451.db2.gz IRDJLUYIMLGIFQ-LJQANCHMSA-N 2 0 329.488 2.475 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCCF)CC[C@@H]32)CC1 ZINC001021739129 676397051 /nfs/dbraw/zinc/39/70/51/676397051.db2.gz GRNSPINITHEWMH-MOPGFXCFSA-N 2 0 349.494 2.004 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022713821 678307464 /nfs/dbraw/zinc/30/74/64/678307464.db2.gz MWAGFVVHBQOGQX-ZENOOKHLSA-N 2 0 331.863 2.188 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC000972332228 678556017 /nfs/dbraw/zinc/55/60/17/678556017.db2.gz OPPOQZCCGVDGER-HUUCEWRRSA-N 2 0 346.500 2.137 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001023128302 679136221 /nfs/dbraw/zinc/13/62/21/679136221.db2.gz YBVPXNQZAUILOS-FFZOFVMBSA-N 2 0 339.483 2.330 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023371449 679277519 /nfs/dbraw/zinc/27/75/19/679277519.db2.gz ZZHBKFYCXLGAKZ-OALUTQOASA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001024618234 681285800 /nfs/dbraw/zinc/28/58/00/681285800.db2.gz RTJISMLWQIPDSQ-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832370 681351124 /nfs/dbraw/zinc/35/11/24/681351124.db2.gz XOJKHAICKIDZTI-LFGUQSLTSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813915 681467098 /nfs/dbraw/zinc/46/70/98/681467098.db2.gz JJJCOUBGSXOXFA-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000924942410 681766034 /nfs/dbraw/zinc/76/60/34/681766034.db2.gz IFPWTFSXVQMTTA-QGZVFWFLSA-N 2 0 344.507 2.297 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641485 681938050 /nfs/dbraw/zinc/93/80/50/681938050.db2.gz NDVUFBCESKFEBF-QGZVKYPTSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725885 682111164 /nfs/dbraw/zinc/11/11/64/682111164.db2.gz PJYNBSRMOUZVPR-JYAXBFRTSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001029004303 682650239 /nfs/dbraw/zinc/65/02/39/682650239.db2.gz VIFWCNOLPFOULJ-IBGZPJMESA-N 2 0 343.515 2.270 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514421 682941082 /nfs/dbraw/zinc/94/10/82/682941082.db2.gz BIOSLGMNGTWVKR-HZPDHXFCSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520183 682953959 /nfs/dbraw/zinc/95/39/59/682953959.db2.gz BKLFIPMVBROWSI-GDBMZVCRSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625420 693757536 /nfs/dbraw/zinc/75/75/36/693757536.db2.gz BUUWWSCSQSZURL-OKYOBFRVSA-N 2 0 331.504 2.264 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001026427935 684632958 /nfs/dbraw/zinc/63/29/58/684632958.db2.gz WXEAQQADRVGISI-YTQUADARSA-N 2 0 327.472 2.374 20 30 EEEDRP C#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000896017078 684806723 /nfs/dbraw/zinc/80/67/23/684806723.db2.gz IMUCDUMDCJFMMN-UHFFFAOYSA-N 2 0 348.450 2.005 20 30 EEEDRP CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262425681 685995210 /nfs/dbraw/zinc/99/52/10/685995210.db2.gz ROKJJDBDANDNFQ-VQIMIIECSA-N 2 0 336.524 2.372 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986355140 688505617 /nfs/dbraw/zinc/50/56/17/688505617.db2.gz LJLIESNALCALIZ-KXBFYZLASA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326272 692490242 /nfs/dbraw/zinc/49/02/42/692490242.db2.gz CNANNAFVNHWXIH-SFHVURJKSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635919 692846998 /nfs/dbraw/zinc/84/69/98/692846998.db2.gz BFOFSVHYMULJPI-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763639 693627137 /nfs/dbraw/zinc/62/71/37/693627137.db2.gz OLGTUXVRCIQABO-KCYZZUKISA-N 2 0 325.884 2.192 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518903 1192329521 /nfs/dbraw/zinc/32/95/21/1192329521.db2.gz UDULCCUNQKWLSU-VQIMIIECSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC/C=C/CC)[C@H](C)C2)CC1 ZINC001107033933 1192831572 /nfs/dbraw/zinc/83/15/72/1192831572.db2.gz DXPTVSXJSZIQAJ-YKMDAGRBSA-N 2 0 345.531 2.372 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088382293 1186755044 /nfs/dbraw/zinc/75/50/44/1186755044.db2.gz YMPWNRLCYYXVLN-HOCLYGCPSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001101549285 1187223751 /nfs/dbraw/zinc/22/37/51/1187223751.db2.gz KSWLXNIFQKRMIT-SFHVURJKSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+](C)CCC)CCO2 ZINC001105485687 1188102020 /nfs/dbraw/zinc/10/20/20/1188102020.db2.gz VDDBSUOAKNMTHM-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)CC1 ZINC001168308441 1188279603 /nfs/dbraw/zinc/27/96/03/1188279603.db2.gz RQDBBBRWVCGFQY-UHFFFAOYSA-N 2 0 345.531 2.398 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001483733932 1190846719 /nfs/dbraw/zinc/84/67/19/1190846719.db2.gz KBGSHDPWDAIEJV-SFHVURJKSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001033682265 1195062455 /nfs/dbraw/zinc/06/24/55/1195062455.db2.gz AYUNGLZRGWNYOX-SFHVURJKSA-N 2 0 345.512 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001033683164 1195064078 /nfs/dbraw/zinc/06/40/78/1195064078.db2.gz FYFQIBBINVZCAP-LJQANCHMSA-N 2 0 333.520 2.301 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034613346 1196436473 /nfs/dbraw/zinc/43/64/73/1196436473.db2.gz ZUZFWYQUKRZVCT-IHRRRGAJSA-N 2 0 344.297 2.006 20 30 EEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001273147327 1197030803 /nfs/dbraw/zinc/03/08/03/1197030803.db2.gz WLOFGBUHVSQNEG-KDURUIRLSA-N 2 0 342.487 2.232 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608325 1199699993 /nfs/dbraw/zinc/69/99/93/1199699993.db2.gz UOUSCSYOTBGWCP-QWHCGFSZSA-N 2 0 346.313 2.252 20 30 EEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000104174595 1204612553 /nfs/dbraw/zinc/61/25/53/1204612553.db2.gz QXQFIPZFRJGDEX-INIZCTEOSA-N 2 0 331.508 2.420 20 30 EEEDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)nc3)(C1)CCC2 ZINC001275294841 1205300628 /nfs/dbraw/zinc/30/06/28/1205300628.db2.gz AAAJYYGKIXOQAW-RBUKOAKNSA-N 2 0 327.476 2.039 20 30 EEEDRP C=CCn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001275381580 1205330851 /nfs/dbraw/zinc/33/08/51/1205330851.db2.gz YBBNANMKOMSBNX-KDURUIRLSA-N 2 0 340.475 2.136 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(C#N)c3)C[C@H]2CC1 ZINC001275414463 1205347957 /nfs/dbraw/zinc/34/79/57/1205347957.db2.gz UWCFTRLRMUDAPR-KDURUIRLSA-N 2 0 344.478 2.403 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018392 1207473298 /nfs/dbraw/zinc/47/32/98/1207473298.db2.gz SPTUHGGUELUJKH-TVFCKZIOSA-N 2 0 337.508 2.031 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111230320 1208397217 /nfs/dbraw/zinc/39/72/17/1208397217.db2.gz LHHCZVMTCVAQQY-QRVBRYPASA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908777 1208771467 /nfs/dbraw/zinc/77/14/67/1208771467.db2.gz VHCIPYCEFJFAAS-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642670 1209269123 /nfs/dbraw/zinc/26/91/23/1209269123.db2.gz NASCAGGMPHEJND-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000949430466 1209683277 /nfs/dbraw/zinc/68/32/77/1209683277.db2.gz URWDAEDTGNFSLL-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCN(C)c1ccccc1 ZINC000303905502 1213924003 /nfs/dbraw/zinc/92/40/03/1213924003.db2.gz ZLRXPGMGHDNXJI-GOSISDBHSA-N 2 0 331.508 2.292 20 30 EEEDRP C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)[N@H+](C)C1CC1 ZINC000303981518 1213936109 /nfs/dbraw/zinc/93/61/09/1213936109.db2.gz PCSXDZJFCQFOSK-AWEZNQCLSA-N 2 0 349.910 2.259 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957598573 1215244420 /nfs/dbraw/zinc/24/44/20/1215244420.db2.gz ADGCDEIGEZQEJV-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2ccccc2)n1 ZINC000304741420 1216102197 /nfs/dbraw/zinc/10/21/97/1216102197.db2.gz CCNIBSJCKJVPBN-INIZCTEOSA-N 2 0 327.432 2.230 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315204 1217508113 /nfs/dbraw/zinc/50/81/13/1217508113.db2.gz RJMNMFRHTSNYKX-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365775 1217561625 /nfs/dbraw/zinc/56/16/25/1217561625.db2.gz HTGFZODFLKNJHS-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680644 1221487176 /nfs/dbraw/zinc/48/71/76/1221487176.db2.gz CEJBLVXSVMGUPZ-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887282 1221646297 /nfs/dbraw/zinc/64/62/97/1221646297.db2.gz AEAFFBYVQLVOGH-RBUKOAKNSA-N 2 0 333.520 2.348 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968967499 1221706101 /nfs/dbraw/zinc/70/61/01/1221706101.db2.gz RSLHSVSWZDHWDL-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001016336662 1226360094 /nfs/dbraw/zinc/36/00/94/1226360094.db2.gz MTMCMXLGGORDMP-LJQANCHMSA-N 2 0 329.488 2.023 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860982 1226928467 /nfs/dbraw/zinc/92/84/67/1226928467.db2.gz MADZMCMPIAKBDA-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC[C@@H](C)F)CC3)CC1 ZINC001016987142 1227016055 /nfs/dbraw/zinc/01/60/55/1227016055.db2.gz VSFIGOPBQIUYEK-AEFFLSMTSA-N 2 0 349.494 2.050 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020214472 1229558930 /nfs/dbraw/zinc/55/89/30/1229558930.db2.gz UQXWAZWIPIQTPF-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001039042172 1230258288 /nfs/dbraw/zinc/25/82/88/1230258288.db2.gz MUOVSIVRCVJICO-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001039042272 1230258969 /nfs/dbraw/zinc/25/89/69/1230258969.db2.gz OULPKWIFABNRPY-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042694 1230259099 /nfs/dbraw/zinc/25/90/99/1230259099.db2.gz WEMIUCBFGCADEB-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CC[N@@H+](CCC)C3)CC2)CC1 ZINC001039181937 1230408740 /nfs/dbraw/zinc/40/87/40/1230408740.db2.gz FJSBJNMDIFFZFG-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039313882 1230522216 /nfs/dbraw/zinc/52/22/16/1230522216.db2.gz VOOPUYXLEGIJRV-XVLXNVKGSA-N 2 0 331.504 2.242 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC001040543310 1231284429 /nfs/dbraw/zinc/28/44/29/1231284429.db2.gz OENFPPWJAZSJNP-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746241 1231355754 /nfs/dbraw/zinc/35/57/54/1231355754.db2.gz XOTUJIDMLFLBPH-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040913179 1231403106 /nfs/dbraw/zinc/40/31/06/1231403106.db2.gz ZFXPGSRMISCESS-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842142 1231726565 /nfs/dbraw/zinc/72/65/65/1231726565.db2.gz BTKZAJYUEYKXCO-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845952 1231729092 /nfs/dbraw/zinc/72/90/92/1231729092.db2.gz TXDDSUBHNXXJSA-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369661 1232051202 /nfs/dbraw/zinc/05/12/02/1232051202.db2.gz ZSBQUERLZZMATF-PXNSSMCTSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046963982 1235364584 /nfs/dbraw/zinc/36/45/84/1235364584.db2.gz KZKDOVXTZGYSCR-CVEARBPZSA-N 2 0 343.462 2.368 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047247819 1235744337 /nfs/dbraw/zinc/74/43/37/1235744337.db2.gz MJYVABLYJLFJOA-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001048558576 1237959846 /nfs/dbraw/zinc/95/98/46/1237959846.db2.gz YGEBRAMBYNXPNR-FCGDIQPGSA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]2C1 ZINC001048960847 1239582985 /nfs/dbraw/zinc/58/29/85/1239582985.db2.gz OSLILLHRHGVFJV-KDURUIRLSA-N 2 0 341.499 2.371 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001000317856 1240165579 /nfs/dbraw/zinc/16/55/79/1240165579.db2.gz QWSHQIXCDDUIKC-PKOBYXMFSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049231466 1240329184 /nfs/dbraw/zinc/32/91/84/1240329184.db2.gz BEUQGDRYJDMQIZ-KDURUIRLSA-N 2 0 327.472 2.328 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001049717003 1241976489 /nfs/dbraw/zinc/97/64/89/1241976489.db2.gz BYUGJPWXVXNHHN-SQGPQFPESA-N 2 0 349.494 2.288 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001404954 1242208417 /nfs/dbraw/zinc/20/84/17/1242208417.db2.gz NPSHRZAKVYXQKW-GOSISDBHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001001477143 1242346541 /nfs/dbraw/zinc/34/65/41/1242346541.db2.gz PATGNPFFXUYJOB-LJQANCHMSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050121618 1242924126 /nfs/dbraw/zinc/92/41/26/1242924126.db2.gz BOUDKGMNTNOVSX-IPMKNSEASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718479 1244202143 /nfs/dbraw/zinc/20/21/43/1244202143.db2.gz ZWSBKYGCCGOKGS-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820673 1245074294 /nfs/dbraw/zinc/07/42/94/1245074294.db2.gz SWEIWBAJWBJLMH-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC001053054590 1245782595 /nfs/dbraw/zinc/78/25/95/1245782595.db2.gz OAZFIDKEDFIPAN-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101428924 1245809383 /nfs/dbraw/zinc/80/93/83/1245809383.db2.gz SQWPCOXCGBEPCM-DYXWJJEUSA-N 2 0 339.483 2.093 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001101574752 1245979184 /nfs/dbraw/zinc/97/91/84/1245979184.db2.gz BLYTWSNIGNJTQO-QGZVFWFLSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)O2 ZINC001053601145 1246516051 /nfs/dbraw/zinc/51/60/51/1246516051.db2.gz BOJMFPUTWMGJIK-OKZBNKHCSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145229 1247517052 /nfs/dbraw/zinc/51/70/52/1247517052.db2.gz NGQAKARLSJCDMS-PZJWPPBQSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219103 1247750027 /nfs/dbraw/zinc/75/00/27/1247750027.db2.gz GXBHRDNNXJGIHT-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054228742 1247784140 /nfs/dbraw/zinc/78/41/40/1247784140.db2.gz YRQGGTBDESFBQQ-SJLPKXTDSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244999 1247859673 /nfs/dbraw/zinc/85/96/73/1247859673.db2.gz MNBNVPHEBSSGRD-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071677000 1254497192 /nfs/dbraw/zinc/49/71/92/1254497192.db2.gz QOCFDKVTZVJGFM-HOTGVXAUSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099113922 1257973862 /nfs/dbraw/zinc/97/38/62/1257973862.db2.gz FLWXBSNUWCOZIR-FPOVZHCZSA-N 2 0 343.515 2.102 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001491371496 1259012785 /nfs/dbraw/zinc/01/27/85/1259012785.db2.gz SGPPISMTUOTQKZ-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185411674 1278641615 /nfs/dbraw/zinc/64/16/15/1278641615.db2.gz KUSLWHPUAURFHD-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001193621884 1282603479 /nfs/dbraw/zinc/60/34/79/1282603479.db2.gz JALHDMPOXVGITN-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)CCC=C)C2)CC1 ZINC001194245548 1282955546 /nfs/dbraw/zinc/95/55/46/1282955546.db2.gz CBJVBBCJNXLMRN-HKUYNNGSSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711415 1283886289 /nfs/dbraw/zinc/88/62/89/1283886289.db2.gz CWGUTUCJOJVMJZ-PZJWPPBQSA-N 2 0 341.499 2.442 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197001293 1284395612 /nfs/dbraw/zinc/39/56/12/1284395612.db2.gz YOPKZOYGWBGWSE-KZNAEPCWSA-N 2 0 339.524 2.015 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885448 1285411216 /nfs/dbraw/zinc/41/12/16/1285411216.db2.gz IAQJBMQUBRIDFP-SFHVURJKSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001071055708 1286737083 /nfs/dbraw/zinc/73/70/83/1286737083.db2.gz SIEKRZMIZDNSAQ-QRVBRYPASA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389132 1289553580 /nfs/dbraw/zinc/55/35/80/1289553580.db2.gz KMNYJFUDVYYGCX-JKSUJKDBSA-N 2 0 345.915 2.066 20 30 EEEDRP C#CCOCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000851899555 1291909502 /nfs/dbraw/zinc/90/95/02/1291909502.db2.gz ZPEXFIYVXLVJPW-MRXNPFEDSA-N 2 0 333.451 2.268 20 30 EEEDRP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852102536 1291994017 /nfs/dbraw/zinc/99/40/17/1291994017.db2.gz YUSFHQRABTWOPC-YVWKXTFCSA-N 2 0 327.472 2.157 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369181 1295994452 /nfs/dbraw/zinc/99/44/52/1295994452.db2.gz ODIOTXHKJKKNCU-QZTJIDSGSA-N 2 0 339.524 2.114 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C)[NH+](C)C ZINC001074710633 1298267498 /nfs/dbraw/zinc/26/74/98/1298267498.db2.gz ATEIVRPXCWNKSE-VBNZEHGJSA-N 2 0 334.489 2.039 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712704 1299005656 /nfs/dbraw/zinc/00/56/56/1299005656.db2.gz MMEOZGWNFHISSR-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099556390 1299220074 /nfs/dbraw/zinc/22/00/74/1299220074.db2.gz KCNLELXEBXRAML-NXOAAHMSSA-N 2 0 339.911 2.248 20 30 EEEDRP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707298 1300236358 /nfs/dbraw/zinc/23/63/58/1300236358.db2.gz SEZSLSPXVQODJT-CEXWTWQISA-N 2 0 333.520 2.299 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001228032823 1302064498 /nfs/dbraw/zinc/06/44/98/1302064498.db2.gz MCPIAAIUDJEAMS-HOTGVXAUSA-N 2 0 330.476 2.381 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229045576 1302586911 /nfs/dbraw/zinc/58/69/11/1302586911.db2.gz CJHJQBBGWLHNRD-QZTJIDSGSA-N 2 0 347.507 2.042 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229126750 1302630744 /nfs/dbraw/zinc/63/07/44/1302630744.db2.gz LJMAIAXTHADFSF-RTBURBONSA-N 2 0 327.472 2.402 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230263351 1303133125 /nfs/dbraw/zinc/13/31/25/1303133125.db2.gz RPERAPPDNFECRV-QZTJIDSGSA-N 2 0 337.508 2.082 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571430 1303283498 /nfs/dbraw/zinc/28/34/98/1303283498.db2.gz DOMXGRKJULNGSZ-QZTJIDSGSA-N 2 0 337.483 2.003 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230597991 1303304503 /nfs/dbraw/zinc/30/45/03/1303304503.db2.gz BUULNFPRFCLMLI-OALUTQOASA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773794 1303317579 /nfs/dbraw/zinc/31/75/79/1303317579.db2.gz RLVIHEIIVYKQAD-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166097 1304290553 /nfs/dbraw/zinc/29/05/53/1304290553.db2.gz DGKYWBODPOPKEA-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP CCOC(=O)[C@]12CN(Cc3ccc(C#N)cc3CC)C[C@H]1C[NH2+]CC2 ZINC001236039872 1305483447 /nfs/dbraw/zinc/48/34/47/1305483447.db2.gz DQIUCZNJFYUARG-UYAOXDASSA-N 2 0 341.455 2.095 20 30 EEEDRP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2CC)CCC12C[NH2+]C2 ZINC001237437256 1305932990 /nfs/dbraw/zinc/93/29/90/1305932990.db2.gz UOXCQTWQUVIRMB-SFHVURJKSA-N 2 0 341.455 2.095 20 30 EEEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001278128289 1306034869 /nfs/dbraw/zinc/03/48/69/1306034869.db2.gz KTMNGEJFSIEWJI-LJQANCHMSA-N 2 0 333.520 2.443 20 30 EEEDRP N#Cc1cc(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)cc(C2C[NH2+]C2)c1 ZINC001240361421 1309313549 /nfs/dbraw/zinc/31/35/49/1309313549.db2.gz WMRSAFDTHWCXNY-CQSZACIVSA-N 2 0 344.422 2.032 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121238430 1309956101 /nfs/dbraw/zinc/95/61/01/1309956101.db2.gz NRZXTNGZPDTYMR-UHFFFAOYSA-N 2 0 325.884 2.240 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653517 1310089944 /nfs/dbraw/zinc/08/99/44/1310089944.db2.gz HSSJPEJJRRZPEM-UHFFFAOYSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103625 1315055935 /nfs/dbraw/zinc/05/59/35/1315055935.db2.gz LWMFCNDXRLUONZ-IRXDYDNUSA-N 2 0 331.504 2.290 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001142590889 1315671088 /nfs/dbraw/zinc/67/10/88/1315671088.db2.gz UQHSKIGOOXBTCD-WGSAOQKQSA-N 2 0 342.487 2.497 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001151398874 1316520150 /nfs/dbraw/zinc/52/01/50/1316520150.db2.gz GZQYCSMWWDWHIK-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226707 1317511413 /nfs/dbraw/zinc/51/14/13/1317511413.db2.gz NRYNMUBDQCNFBE-RTBURBONSA-N 2 0 341.499 2.349 20 30 EEEDRP N#Cc1c2c(cnc1N1CCCC[C@@]13CCC[NH2+]C3)C[NH2+]CCC2 ZINC001157468539 1318660818 /nfs/dbraw/zinc/66/08/18/1318660818.db2.gz QHKSXSSMOVMUPT-IBGZPJMESA-N 2 0 325.460 2.102 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001157886766 1318917285 /nfs/dbraw/zinc/91/72/85/1318917285.db2.gz MJUSISAYMCISDA-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001159327212 1319740754 /nfs/dbraw/zinc/74/07/54/1319740754.db2.gz APEJSMQIKAOOBG-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869080 1320008841 /nfs/dbraw/zinc/00/88/41/1320008841.db2.gz SFRNNSCRVZPZDE-SJLPKXTDSA-N 2 0 337.508 2.080 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142566 1320082439 /nfs/dbraw/zinc/08/24/39/1320082439.db2.gz OKEHBSOPGPGMII-IBGZPJMESA-N 2 0 343.515 2.413 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001160566236 1320200278 /nfs/dbraw/zinc/20/02/78/1320200278.db2.gz NTAXHCRRSXHZBL-IBGZPJMESA-N 2 0 342.487 2.056 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953626 1320693743 /nfs/dbraw/zinc/69/37/43/1320693743.db2.gz YPNXAEPVHWXRNG-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001162840778 1320971740 /nfs/dbraw/zinc/97/17/40/1320971740.db2.gz AFJOTNRNJINTLB-LJQANCHMSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC)C23CCC3)CC1 ZINC001203769901 1321956960 /nfs/dbraw/zinc/95/69/60/1321956960.db2.gz CKVNNFLDGLOHEO-QZTJIDSGSA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415913 1323121378 /nfs/dbraw/zinc/12/13/78/1323121378.db2.gz QPUUCSOTGFTYHW-OAHLLOKOSA-N 2 0 333.879 2.247 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1F ZINC001205663450 1323235140 /nfs/dbraw/zinc/23/51/40/1323235140.db2.gz ASPLMZZNGJGNBL-PKOBYXMFSA-N 2 0 345.462 2.075 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208331698 1324431435 /nfs/dbraw/zinc/43/14/35/1324431435.db2.gz VZDVOCIQKLRAIV-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631610 1324994418 /nfs/dbraw/zinc/99/44/18/1324994418.db2.gz FSPBPEGMDHTBFA-QUCCMNQESA-N 2 0 339.483 2.103 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001210751118 1325415531 /nfs/dbraw/zinc/41/55/31/1325415531.db2.gz TUZJPVIZFKXWJQ-FQEVSTJZSA-N 2 0 341.499 2.351 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC001335367474 1336367826 /nfs/dbraw/zinc/36/78/26/1336367826.db2.gz MTFIFMOMUOEBMH-MSOLQXFVSA-N 2 0 348.487 2.095 20 30 EEEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001341644579 1337295756 /nfs/dbraw/zinc/29/57/56/1337295756.db2.gz IJWMQZMPEOKXQW-IAGOWNOFSA-N 2 0 327.472 2.004 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038388 1337947927 /nfs/dbraw/zinc/94/79/27/1337947927.db2.gz IWGVXDRPIVIRMY-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001567240672 1342714973 /nfs/dbraw/zinc/71/49/73/1342714973.db2.gz NOGAWHRXCUCPFW-JMRXEAOASA-N 2 0 346.302 2.135 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001394719862 1390744710 /nfs/dbraw/zinc/74/47/10/1390744710.db2.gz VXUWKQVCARJJGS-CVEARBPZSA-N 2 0 327.900 2.345 20 30 EEEDRP Cc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1C#N ZINC001139727484 1372523062 /nfs/dbraw/zinc/52/30/62/1372523062.db2.gz SHQLJTGIZXSNRQ-UHFFFAOYSA-N 2 0 326.488 2.326 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001378838706 1380204321 /nfs/dbraw/zinc/20/43/21/1380204321.db2.gz AMEOZXLKGILTTM-RDTXWAMCSA-N 2 0 348.466 2.220 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001379099525 1380511576 /nfs/dbraw/zinc/51/15/76/1380511576.db2.gz LUZYQOAMEHNVBR-GOSISDBHSA-N 2 0 330.476 2.035 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001379866163 1380922637 /nfs/dbraw/zinc/92/26/37/1380922637.db2.gz DVMAGCTXVCXJGC-OALUTQOASA-N 2 0 342.487 2.129 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cc(C#N)ccc2F)CCC1 ZINC001380880187 1381417676 /nfs/dbraw/zinc/41/76/76/1381417676.db2.gz WOBIYPFPHDTURC-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001382358817 1382085879 /nfs/dbraw/zinc/08/58/79/1382085879.db2.gz URIJCOMIVUPHLG-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001753967037 1406782939 /nfs/dbraw/zinc/78/29/39/1406782939.db2.gz MRUCJJSXNVGADN-YSIASYRMSA-N 2 0 341.499 2.253 20 30 EEEDRP C=C(Br)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001400914531 1396719751 /nfs/dbraw/zinc/71/97/51/1396719751.db2.gz PZMVWKWVTZFFMP-CYBMUJFWSA-N 2 0 344.297 2.008 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001402400931 1397978644 /nfs/dbraw/zinc/97/86/44/1397978644.db2.gz QWPZDSPBXQOWNY-HNNXBMFYSA-N 2 0 338.883 2.276 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001402790436 1398200348 /nfs/dbraw/zinc/20/03/48/1398200348.db2.gz MOOSFMDAMOFJNN-MAUKXSAKSA-N 2 0 349.906 2.350 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001754657007 1406939106 /nfs/dbraw/zinc/93/91/06/1406939106.db2.gz XUOINXFPVGSXAE-RTBURBONSA-N 2 0 333.520 2.395 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001402853173 1398241390 /nfs/dbraw/zinc/24/13/90/1398241390.db2.gz RGTLRSHUCSVJCK-KBXCAEBGSA-N 2 0 348.466 2.268 20 30 EEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001755184706 1407188811 /nfs/dbraw/zinc/18/88/11/1407188811.db2.gz DIGRRTSXYKHYEV-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC001574518489 1403522226 /nfs/dbraw/zinc/52/22/26/1403522226.db2.gz YDMNXONRBUYFOK-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)ccc21 ZINC001578413376 1403750033 /nfs/dbraw/zinc/75/00/33/1403750033.db2.gz NANJQZAKQIQNHT-MEDXUSCSSA-N 2 0 338.455 2.313 20 30 EEEDRP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001755361092 1407358820 /nfs/dbraw/zinc/35/88/20/1407358820.db2.gz LYLBPUNFMNLQBI-VQTJNVASSA-N 2 0 341.499 2.254 20 30 EEEDRP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001751990505 1406168019 /nfs/dbraw/zinc/16/80/19/1406168019.db2.gz YKBFKKSFNPOAIZ-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001755834777 1407883262 /nfs/dbraw/zinc/88/32/62/1407883262.db2.gz KXWFCLFDNHKMSD-KRWDZBQOSA-N 2 0 339.524 2.184 20 30 EEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081434 1410520348 /nfs/dbraw/zinc/52/03/48/1410520348.db2.gz SIGUJGJNNMWPRG-ZWKOTPCHSA-N 2 0 339.524 2.016 20 30 EEEDRP C=CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001075411083 759384613 /nfs/dbraw/zinc/38/46/13/759384613.db2.gz MSRHXFUGNHFPFD-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454086 760708968 /nfs/dbraw/zinc/70/89/68/760708968.db2.gz KTWKWOTZRZMSLM-PXNSSMCTSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087314488 761596623 /nfs/dbraw/zinc/59/66/23/761596623.db2.gz LUWUOKXTFSZXQW-IKGGRYGDSA-N 2 0 331.504 2.264 20 30 EEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681711 764734518 /nfs/dbraw/zinc/73/45/18/764734518.db2.gz NJYZYBRZMUBFPZ-MDZRGWNJSA-N 2 0 339.499 2.459 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896145 765522663 /nfs/dbraw/zinc/52/26/63/765522663.db2.gz MOJMFGZJEDBQHM-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105067070 768986786 /nfs/dbraw/zinc/98/67/86/768986786.db2.gz LSAHRDSUFZFFNP-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675400 770093860 /nfs/dbraw/zinc/09/38/60/770093860.db2.gz QEAJZYTWNFSDOA-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211675634 770099729 /nfs/dbraw/zinc/09/97/29/770099729.db2.gz ULFVDMCZLSMPJA-OTWHNJEPSA-N 2 0 329.488 2.487 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)[C@H](C)C2)CC1 ZINC000948069224 773210291 /nfs/dbraw/zinc/21/02/91/773210291.db2.gz DMINGSABINYWAF-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089643436 773672794 /nfs/dbraw/zinc/67/27/94/773672794.db2.gz VDVVSXRWIKBIJU-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980141784 773933846 /nfs/dbraw/zinc/93/38/46/773933846.db2.gz KLJXOKBIBSSIHZ-SZMVWBNQSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C ZINC001027940563 774731198 /nfs/dbraw/zinc/73/11/98/774731198.db2.gz OACZFUYEACNFLB-UXHICEINSA-N 2 0 339.483 2.173 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981365038 777259229 /nfs/dbraw/zinc/25/92/29/777259229.db2.gz GDVUFSQXIFLBCW-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC000981813580 778238591 /nfs/dbraw/zinc/23/85/91/778238591.db2.gz NFWGNRIMLPIEKC-INIZCTEOSA-N 2 0 328.460 2.261 20 30 EEEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC000982115584 779125576 /nfs/dbraw/zinc/12/55/76/779125576.db2.gz XFLYBQUOYZBOQM-FQEVSTJZSA-N 2 0 339.483 2.021 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947359683 779374404 /nfs/dbraw/zinc/37/44/04/779374404.db2.gz AZRHMFUZAQJHIJ-GDBMZVCRSA-N 2 0 333.501 2.416 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135372219 783661806 /nfs/dbraw/zinc/66/18/06/783661806.db2.gz OVVHDGVODRMXBC-KGLIPLIRSA-N 2 0 334.439 2.022 20 30 EEEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184333 784020680 /nfs/dbraw/zinc/02/06/80/784020680.db2.gz HVJRTMPJEKKSMQ-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996450291 786414091 /nfs/dbraw/zinc/41/40/91/786414091.db2.gz VEFZZARMPFFYNM-HNNXBMFYSA-N 2 0 327.900 2.297 20 30 EEEDRP CCCC[NH+]=C(NC[C@@H](C)N1CC[NH+](CC)CC1)NC(C)(C)C ZINC000912496961 788205112 /nfs/dbraw/zinc/20/51/12/788205112.db2.gz IUXYIFNZSBIXPR-MRXNPFEDSA-N 2 0 325.545 2.146 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000825275434 788566336 /nfs/dbraw/zinc/56/63/36/788566336.db2.gz MWSAZGJOQRSZGS-QGZVFWFLSA-N 2 0 344.503 2.483 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]2C1 ZINC000946854146 788757004 /nfs/dbraw/zinc/75/70/04/788757004.db2.gz RZJWTXLCPFMWFT-BGYRXZFFSA-N 2 0 345.531 2.465 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001006001171 789230490 /nfs/dbraw/zinc/23/04/90/789230490.db2.gz KRJZCAGMPJNSFL-INIZCTEOSA-N 2 0 330.476 2.253 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358932 789435772 /nfs/dbraw/zinc/43/57/72/789435772.db2.gz MXXLHDRIILIUMT-GUDVDZBRSA-N 2 0 343.471 2.010 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359572 789449723 /nfs/dbraw/zinc/44/97/23/789449723.db2.gz SBRPHNJDYDMJEV-IPMKNSEASA-N 2 0 343.471 2.010 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997817569 791220678 /nfs/dbraw/zinc/22/06/78/791220678.db2.gz MXQFDXPGELXPQO-KRWDZBQOSA-N 2 0 333.520 2.347 20 30 EEEDRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000997856155 791281778 /nfs/dbraw/zinc/28/17/78/791281778.db2.gz RBIZZHWYQNPXPF-QGZVFWFLSA-N 2 0 348.516 2.288 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701853 791415118 /nfs/dbraw/zinc/41/51/18/791415118.db2.gz QXSYNYQMQYWNCJ-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC000992191818 793155448 /nfs/dbraw/zinc/15/54/48/793155448.db2.gz SBRFWHKSVSFNML-ATZDWAIDSA-N 2 0 337.483 2.498 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303156 793779394 /nfs/dbraw/zinc/77/93/94/793779394.db2.gz VUYBJYDUQGPSIR-DYXWJJEUSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCCC)CC3)CC1 ZINC000992506532 794445666 /nfs/dbraw/zinc/44/56/66/794445666.db2.gz JOMNAARVUNIFMQ-ICSRJNTNSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506687 794446994 /nfs/dbraw/zinc/44/69/94/794446994.db2.gz JSQFJMQIJKEWPA-QUCCMNQESA-N 2 0 329.488 2.021 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@H]12 ZINC000992518789 794486909 /nfs/dbraw/zinc/48/69/09/794486909.db2.gz SMDMLAPUAOTUKT-AZUAARDMSA-N 2 0 343.471 2.481 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079298817 794569152 /nfs/dbraw/zinc/56/91/52/794569152.db2.gz HXZKZMJFHMUGNM-UHOSZYNNSA-N 2 0 347.478 2.482 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000999493362 794597035 /nfs/dbraw/zinc/59/70/35/794597035.db2.gz DXSIIYXFQAYQJW-SJLPKXTDSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731789 794678160 /nfs/dbraw/zinc/67/81/60/794678160.db2.gz YVPBIVMQPWRRBF-RDJZCZTQSA-N 2 0 345.512 2.369 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000151513 795355697 /nfs/dbraw/zinc/35/56/97/795355697.db2.gz XJRNJRTWQIPGSU-SFHVURJKSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106575223 795864453 /nfs/dbraw/zinc/86/44/53/795864453.db2.gz ZFIWWLZWIIAZKK-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094426971 796216979 /nfs/dbraw/zinc/21/69/79/796216979.db2.gz BAHCEJGGMKRXSO-VQIMIIECSA-N 2 0 345.512 2.417 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560636 796396013 /nfs/dbraw/zinc/39/60/13/796396013.db2.gz UYTHBPIQQTXOCN-NVXWUHKLSA-N 2 0 337.895 2.196 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001171725004 796705065 /nfs/dbraw/zinc/70/50/65/796705065.db2.gz CQVRQFBMZVMDMV-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078640097 796786935 /nfs/dbraw/zinc/78/69/35/796786935.db2.gz SFOPQXUGSISQMX-CABCVRRESA-N 2 0 331.485 2.074 20 30 EEEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756667 797175292 /nfs/dbraw/zinc/17/52/92/797175292.db2.gz HTSJSIKEAXFZLK-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C[N@H+](C1CCC([NH3+])CC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426150 797447573 /nfs/dbraw/zinc/44/75/73/797447573.db2.gz QQALTCFHAOJLIF-UHFFFAOYSA-N 2 0 340.471 2.365 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150332202 797700156 /nfs/dbraw/zinc/70/01/56/797700156.db2.gz GZLJUFFTMCLGDI-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)[C@H]2C)CC1 ZINC000994471084 798051061 /nfs/dbraw/zinc/05/10/61/798051061.db2.gz AKNDASOJFVAUCR-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175663215 798190158 /nfs/dbraw/zinc/19/01/58/798190158.db2.gz BQVCHDPGCQBPSP-QGZVFWFLSA-N 2 0 349.523 2.289 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(=C)Cl)CC1 ZINC001176747207 798547447 /nfs/dbraw/zinc/54/74/47/798547447.db2.gz VIBMMXVOTIJCHO-MRXNPFEDSA-N 2 0 339.911 2.349 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998025 798600605 /nfs/dbraw/zinc/60/06/05/798600605.db2.gz OLFUUGJWFNMDMN-NEWSRXKRSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049539 798638556 /nfs/dbraw/zinc/63/85/56/798638556.db2.gz JBARHZBVWFAALM-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176986001 798674200 /nfs/dbraw/zinc/67/42/00/798674200.db2.gz AUEOBTCJAJQDPO-INIZCTEOSA-N 2 0 334.489 2.090 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001112585859 806695273 /nfs/dbraw/zinc/69/52/73/806695273.db2.gz VUJXSFSLBDEWGZ-NSHGMRRFSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)[C@H]1C ZINC001179539471 799982803 /nfs/dbraw/zinc/98/28/03/799982803.db2.gz YMFOAVZAEHIXNF-ZVZYQTTQSA-N 2 0 330.476 2.299 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001181728651 800882705 /nfs/dbraw/zinc/88/27/05/800882705.db2.gz PTENVDCMYNZMMX-YFVAEKQCSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C ZINC001085646790 800952922 /nfs/dbraw/zinc/95/29/22/800952922.db2.gz PYLXNBBBOUKIIJ-UXHICEINSA-N 2 0 339.483 2.125 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108206632 801117812 /nfs/dbraw/zinc/11/78/12/801117812.db2.gz HILKIIOGZJYVTK-IEBWSBKVSA-N 2 0 339.524 2.280 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]Cc1ccccc1C#N ZINC001182486799 801225439 /nfs/dbraw/zinc/22/54/39/801225439.db2.gz VGHZKHNDSBXYOH-OXQOHEQNSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001182629365 801265236 /nfs/dbraw/zinc/26/52/36/801265236.db2.gz DSMDFAIWMGTPGF-ATZDWAIDSA-N 2 0 339.499 2.459 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184424803 802029442 /nfs/dbraw/zinc/02/94/42/802029442.db2.gz MOUJFVOYZAVQHT-SFANZJOMSA-N 2 0 349.519 2.011 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004432707 802041795 /nfs/dbraw/zinc/04/17/95/802041795.db2.gz DRTUZXKUQCKZKP-OALUTQOASA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004439797 802048393 /nfs/dbraw/zinc/04/83/93/802048393.db2.gz WSUDJAWNLLFJKZ-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184702468 802137353 /nfs/dbraw/zinc/13/73/53/802137353.db2.gz YSOFBRXVHRPNDN-NVXWUHKLSA-N 2 0 338.455 2.354 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184724418 802160610 /nfs/dbraw/zinc/16/06/10/802160610.db2.gz MTKJCMAJQQTITO-HOCLYGCPSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001184787329 802187853 /nfs/dbraw/zinc/18/78/53/802187853.db2.gz AYXYSPVLNBNRHH-JKSUJKDBSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892537 802232373 /nfs/dbraw/zinc/23/23/73/802232373.db2.gz QHRVJGBUOJARSC-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184892992 802232933 /nfs/dbraw/zinc/23/29/33/802232933.db2.gz UCDJBBMSQRUYMO-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108421055 803506518 /nfs/dbraw/zinc/50/65/18/803506518.db2.gz GKJKXSDBIWQVCY-PKOBYXMFSA-N 2 0 337.508 2.034 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001129409995 810828208 /nfs/dbraw/zinc/82/82/08/810828208.db2.gz AETQWLYADNLZJZ-LJQANCHMSA-N 2 0 345.462 2.146 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCOCCOCC[NH3+])cc1 ZINC001170513259 812010316 /nfs/dbraw/zinc/01/03/16/812010316.db2.gz FKWAWWXKASFJGJ-LJQANCHMSA-N 2 0 333.476 2.413 20 30 EEEDRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437401484 1089670316 /nfs/dbraw/zinc/67/03/16/1089670316.db2.gz XFPZFSLWYUWLDC-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001441411837 1094992379 /nfs/dbraw/zinc/99/23/79/1094992379.db2.gz AAIJGAJTXFAGRN-QAQDUYKDSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443926600 1098446573 /nfs/dbraw/zinc/44/65/73/1098446573.db2.gz BOUCKZRXRDXFAR-INIZCTEOSA-N 2 0 346.450 2.166 20 30 EEEDRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001494995508 1104637449 /nfs/dbraw/zinc/63/74/49/1104637449.db2.gz VHVDTBKPIIUBNK-CYBMUJFWSA-N 2 0 334.489 2.088 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)CCC1 ZINC001493106360 1107503117 /nfs/dbraw/zinc/50/31/17/1107503117.db2.gz FLJARDQGMVFXQJ-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@H+](CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC001498770791 1108067703 /nfs/dbraw/zinc/06/77/03/1108067703.db2.gz QZFVXRTWFXKFLZ-LJQANCHMSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001493838653 1108721959 /nfs/dbraw/zinc/72/19/59/1108721959.db2.gz IINIPFWMKPMYPG-CQSZACIVSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448013511 242354323 /nfs/dbraw/zinc/35/43/23/242354323.db2.gz XDRPBDRTQJMGLV-QGZVFWFLSA-N 2 0 336.524 2.447 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000129628639 462716645 /nfs/dbraw/zinc/71/66/45/462716645.db2.gz QTHBSPMVGYXUDV-QGZVFWFLSA-N 2 0 332.492 2.120 20 30 EEEDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000075800668 462758837 /nfs/dbraw/zinc/75/88/37/462758837.db2.gz HIIOOPNMNFKNHN-UHFFFAOYSA-N 2 0 343.519 2.154 20 30 EEEDRP COCCNC(=[NH2+])NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000069672982 463300637 /nfs/dbraw/zinc/30/06/37/463300637.db2.gz JJVOANLFCYKQNU-UHFFFAOYSA-N 2 0 346.519 2.272 20 30 EEEDRP CC1(C)CN=C(N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000268695748 463788825 /nfs/dbraw/zinc/78/88/25/463788825.db2.gz SSJPGGXRNWKXMT-MRXNPFEDSA-N 2 0 344.484 2.091 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000171742024 463918041 /nfs/dbraw/zinc/91/80/41/463918041.db2.gz ODKPMRQETTVVLR-SFHVURJKSA-N 2 0 334.508 2.297 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262401798 464019229 /nfs/dbraw/zinc/01/92/29/464019229.db2.gz NXROKUIOQQJOLU-WBVHZDCISA-N 2 0 330.476 2.392 20 30 EEEDRP C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262487089 464030806 /nfs/dbraw/zinc/03/08/06/464030806.db2.gz STSHCSDDJYRGMB-IAGOWNOFSA-N 2 0 347.507 2.018 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000262760158 464045780 /nfs/dbraw/zinc/04/57/80/464045780.db2.gz CVHCZVNGYZIFKX-HNNXBMFYSA-N 2 0 342.487 2.345 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2cccs2)n1 ZINC000264084307 464281126 /nfs/dbraw/zinc/28/11/26/464281126.db2.gz JDZAKOAPUIPPIY-ZDUSSCGKSA-N 2 0 333.461 2.292 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)on1 ZINC000264107139 464283446 /nfs/dbraw/zinc/28/34/46/464283446.db2.gz PXYOWUVSAVXCSD-MRXNPFEDSA-N 2 0 327.432 2.230 20 30 EEEDRP CCCNC(=[NH2+])NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000264131813 464287321 /nfs/dbraw/zinc/28/73/21/464287321.db2.gz YCMJRBJWUAYACI-UHFFFAOYSA-N 2 0 336.480 2.230 20 30 EEEDRP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180997968 464431728 /nfs/dbraw/zinc/43/17/28/464431728.db2.gz SZKFOCFTADNFQJ-KRWDZBQOSA-N 2 0 327.453 2.476 20 30 EEEDRP CCCCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272787446 464688949 /nfs/dbraw/zinc/68/89/49/464688949.db2.gz BYQWYJHKAMPGRD-GOSISDBHSA-N 2 0 332.492 2.238 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000358816010 465339460 /nfs/dbraw/zinc/33/94/60/465339460.db2.gz BBYVSYCZBWURDN-UHFFFAOYSA-N 2 0 334.508 2.297 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000342737353 465344625 /nfs/dbraw/zinc/34/46/25/465344625.db2.gz YQEFJKCLIIWWNY-UHFFFAOYSA-N 2 0 348.466 2.337 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000593919486 468434881 /nfs/dbraw/zinc/43/48/81/468434881.db2.gz WTWVTMAFLOTANM-MRXNPFEDSA-N 2 0 340.471 2.029 20 30 EEEDRP Cn1cncc1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330011305 465505926 /nfs/dbraw/zinc/50/59/26/465505926.db2.gz ITPSGTVAWHBPFC-SJORKVTESA-N 2 0 334.464 2.077 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000417518568 466874919 /nfs/dbraw/zinc/87/49/19/466874919.db2.gz CINBLWQYOMYYAW-KRWDZBQOSA-N 2 0 334.508 2.058 20 30 EEEDRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000424176387 466997084 /nfs/dbraw/zinc/99/70/84/466997084.db2.gz RGNNTEVUVWMTRV-QRQLOZEOSA-N 2 0 342.487 2.424 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397529 467682079 /nfs/dbraw/zinc/68/20/79/467682079.db2.gz QMKBWWJHXZASJA-SZMVWBNQSA-N 2 0 331.460 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000490800518 468252654 /nfs/dbraw/zinc/25/26/54/468252654.db2.gz SPYRIUPTMJLYJK-OALUTQOASA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000611559918 469279867 /nfs/dbraw/zinc/27/98/67/469279867.db2.gz MVRMGQBUKNKKOC-KXBFYZLASA-N 2 0 340.471 2.374 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000730271115 577013770 /nfs/dbraw/zinc/01/37/70/577013770.db2.gz LCPCDBLWIRNLHL-DLBZAZTESA-N 2 0 333.863 2.157 20 30 EEEDRP C#CCN1CCN(C(=O)C[NH2+][C@H](CC(C)C)c2ccccc2)CC1 ZINC000774815534 577419287 /nfs/dbraw/zinc/41/92/87/577419287.db2.gz PHTZHARAEMTUPG-LJQANCHMSA-N 2 0 327.472 2.141 20 30 EEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cccc(OCC[NH+](C)C)c1 ZINC000753929767 577796369 /nfs/dbraw/zinc/79/63/69/577796369.db2.gz RXBHBGBAPVGBBD-QZTJIDSGSA-N 2 0 343.475 2.211 20 30 EEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683358 675166029 /nfs/dbraw/zinc/16/60/29/675166029.db2.gz ZGJBHCAWOPPUCV-DLBZAZTESA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039211529 676141529 /nfs/dbraw/zinc/14/15/29/676141529.db2.gz BEYSJGMRGBJTHO-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001020818537 675513858 /nfs/dbraw/zinc/51/38/58/675513858.db2.gz RGTYBUCOZFCEJY-SHTZXODSSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326654 675790284 /nfs/dbraw/zinc/79/02/84/675790284.db2.gz UVTVVHBTTGCPOD-QFBILLFUSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](C(C)C)CC[C@@H]32)CC1 ZINC001021738953 676397035 /nfs/dbraw/zinc/39/70/35/676397035.db2.gz FWDPQBMAISNUIE-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001024039484 679772752 /nfs/dbraw/zinc/77/27/52/679772752.db2.gz XLVPXJYDIOFXHP-RTBURBONSA-N 2 0 342.487 2.227 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642172 681950359 /nfs/dbraw/zinc/95/03/59/681950359.db2.gz QQQNIIZMYGSNHH-UKAVVXHISA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025247145 682316332 /nfs/dbraw/zinc/31/63/32/682316332.db2.gz IRWNMRFCCCMJNS-RBUKOAKNSA-N 2 0 336.439 2.427 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259447 682338363 /nfs/dbraw/zinc/33/83/63/682338363.db2.gz PRFPHCWJGFKOSC-MSOLQXFVSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259452 682338375 /nfs/dbraw/zinc/33/83/75/682338375.db2.gz PRFPHCWJGFKOSC-ROUUACIJSA-N 2 0 331.504 2.340 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261987785 682734254 /nfs/dbraw/zinc/73/42/54/682734254.db2.gz QMTNGUJZQBFFOV-OKZBNKHCSA-N 2 0 346.523 2.073 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001025577138 683034415 /nfs/dbraw/zinc/03/44/15/683034415.db2.gz QHZPZDLFPQZQLU-HZPDHXFCSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029342639 684043196 /nfs/dbraw/zinc/04/31/96/684043196.db2.gz YHTMDOZCBNTCQT-ZCNNSNEGSA-N 2 0 343.515 2.340 20 30 EEEDRP C#C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000893267704 684411698 /nfs/dbraw/zinc/41/16/98/684411698.db2.gz NBXCPJGASCUSGV-GOSISDBHSA-N 2 0 346.519 2.134 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001026399302 684566861 /nfs/dbraw/zinc/56/68/61/684566861.db2.gz SOWSCGSYVDRNCW-IPMKNSEASA-N 2 0 331.504 2.121 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606792 684783557 /nfs/dbraw/zinc/78/35/57/684783557.db2.gz UYKKWLDRSAPXGQ-UHFFFAOYSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975033540 686084500 /nfs/dbraw/zinc/08/45/00/686084500.db2.gz DNRQEQPHDSBNCM-RDTXWAMCSA-N 2 0 325.472 2.212 20 30 EEEDRP C[N@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327031 686327916 /nfs/dbraw/zinc/32/79/16/686327916.db2.gz ANYPGSZUXFABAV-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001027233860 686870043 /nfs/dbraw/zinc/87/00/43/686870043.db2.gz MARBEBWAOVRPEH-LJQANCHMSA-N 2 0 343.515 2.270 20 30 EEEDRP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262793209 688478385 /nfs/dbraw/zinc/47/83/85/688478385.db2.gz OVJBTYSRGORIST-KRWDZBQOSA-N 2 0 336.524 2.065 20 30 EEEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262793380 688479049 /nfs/dbraw/zinc/47/90/49/688479049.db2.gz OZSFXSFRTYPUQG-GVDBMIGSSA-N 2 0 336.524 2.229 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964725 691331326 /nfs/dbraw/zinc/33/13/26/691331326.db2.gz DVLNOZYQGUENGQ-KGLIPLIRSA-N 2 0 346.500 2.183 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518902 1192328468 /nfs/dbraw/zinc/32/84/68/1192328468.db2.gz UDULCCUNQKWLSU-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037529 1192969600 /nfs/dbraw/zinc/96/96/00/1192969600.db2.gz PKVIFTHWQXIBRC-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000995554348 1193145455 /nfs/dbraw/zinc/14/54/55/1193145455.db2.gz WPOAEPISFQDVSF-CVEARBPZSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892783 1193201521 /nfs/dbraw/zinc/20/15/21/1193201521.db2.gz LQRQAQUFSDZWOC-HZMVEIRTSA-N 2 0 349.906 2.004 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168345756 1188312643 /nfs/dbraw/zinc/31/26/43/1188312643.db2.gz SXTNHCQVBXHCNJ-OAHLLOKOSA-N 2 0 327.900 2.489 20 30 EEEDRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001272910919 1193601211 /nfs/dbraw/zinc/60/12/11/1193601211.db2.gz HAAZHYOAPKIGIA-FQEVSTJZSA-N 2 0 340.471 2.077 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001486211351 1193751236 /nfs/dbraw/zinc/75/12/36/1193751236.db2.gz VPFOEAGREZSEHO-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365972 1194481394 /nfs/dbraw/zinc/48/13/94/1194481394.db2.gz RWSGHTQTZIAXRN-OALUTQOASA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001033686474 1195068414 /nfs/dbraw/zinc/06/84/14/1195068414.db2.gz DCTSCVQZHPVAHV-SFHVURJKSA-N 2 0 333.520 2.301 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001034964825 1196946005 /nfs/dbraw/zinc/94/60/05/1196946005.db2.gz ZRRMKJQECAVDTK-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001132737235 1199965261 /nfs/dbraw/zinc/96/52/61/1199965261.db2.gz JQMSDJGPUCTZFW-QGZVFWFLSA-N 2 0 346.450 2.025 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001132886449 1200153222 /nfs/dbraw/zinc/15/32/22/1200153222.db2.gz MZLCNADQJFBKAY-RDJZCZTQSA-N 2 0 347.890 2.128 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133404075 1200867214 /nfs/dbraw/zinc/86/72/14/1200867214.db2.gz WQKLHWHZLYUGIC-MAUKXSAKSA-N 2 0 347.890 2.089 20 30 EEEDRP C=CCn1cc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cn1 ZINC001275381037 1205330661 /nfs/dbraw/zinc/33/06/61/1205330661.db2.gz DOVHEHKHNCJCME-HXUWFJFHSA-N 2 0 345.535 2.309 20 30 EEEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000925440189 1206111743 /nfs/dbraw/zinc/11/17/43/1206111743.db2.gz HDEABGKVJVDNRE-OAHLLOKOSA-N 2 0 330.476 2.396 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362851 1208547148 /nfs/dbraw/zinc/54/71/48/1208547148.db2.gz ZMLYZEUWQIXOFM-ZBFHGGJFSA-N 2 0 333.501 2.416 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000948604757 1209247284 /nfs/dbraw/zinc/24/72/84/1209247284.db2.gz ILJGWHVBWBAICN-INIZCTEOSA-N 2 0 339.443 2.380 20 30 EEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948786236 1209375749 /nfs/dbraw/zinc/37/57/49/1209375749.db2.gz VYUZTTFKKGSDOP-GVDBMIGSSA-N 2 0 330.476 2.413 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793931 1213906835 /nfs/dbraw/zinc/90/68/35/1213906835.db2.gz ZZICXVKEGDASLG-QZTJIDSGSA-N 3 0 337.556 2.276 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC000957575006 1215223362 /nfs/dbraw/zinc/22/33/62/1215223362.db2.gz VRRMMOVRXWZTPV-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)CC1 ZINC000957647429 1215294788 /nfs/dbraw/zinc/29/47/88/1215294788.db2.gz HRPJGJAYTRDVRZ-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000304759463 1216103419 /nfs/dbraw/zinc/10/34/19/1216103419.db2.gz RGJMVSYLYVRIGK-QGZVFWFLSA-N 2 0 347.463 2.306 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959913308 1216223531 /nfs/dbraw/zinc/22/35/31/1216223531.db2.gz MJCAEXSDWNWZQI-YSHGAJCASA-N 2 0 331.504 2.264 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC000960137316 1216379443 /nfs/dbraw/zinc/37/94/43/1216379443.db2.gz RFTMJCUHENCVLY-OALUTQOASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180482 1217073904 /nfs/dbraw/zinc/07/39/04/1217073904.db2.gz HKESATFYSWNGAI-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961375585 1217163923 /nfs/dbraw/zinc/16/39/23/1217163923.db2.gz PAIMGGGXFDDPII-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364961 1217561075 /nfs/dbraw/zinc/56/10/75/1217561075.db2.gz DRMMHQFAPWFQKF-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007493848 1222258972 /nfs/dbraw/zinc/25/89/72/1222258972.db2.gz VSYNZZZDCSVNTQ-CVEARBPZSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008600826 1222954629 /nfs/dbraw/zinc/95/46/29/1222954629.db2.gz BLNRGQTVZXFVST-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788536 1226878460 /nfs/dbraw/zinc/87/84/60/1226878460.db2.gz ZRAVCLJKKTUUKI-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC001202788547 1227561945 /nfs/dbraw/zinc/56/19/45/1227561945.db2.gz SCJPZAYROGLBJU-UHFFFAOYSA-N 2 0 341.459 2.050 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020214020 1229558680 /nfs/dbraw/zinc/55/86/80/1229558680.db2.gz DVHWVKGVJVZGBI-CKEIUWERSA-N 2 0 346.500 2.231 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247004 1230482094 /nfs/dbraw/zinc/48/20/94/1230482094.db2.gz SONXBQUCEICNDI-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC001040259673 1231137405 /nfs/dbraw/zinc/13/74/05/1231137405.db2.gz YBIZXQADBJENJZ-LJQANCHMSA-N 2 0 330.476 2.427 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356312 1231185265 /nfs/dbraw/zinc/18/52/65/1231185265.db2.gz IKHIKICWSXRNRG-HXUWFJFHSA-N 2 0 343.471 2.293 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433240 1231229857 /nfs/dbraw/zinc/22/98/57/1231229857.db2.gz VAZFULYHZUUPDI-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC)C3)CC1 ZINC001040542425 1231283690 /nfs/dbraw/zinc/28/36/90/1231283690.db2.gz IFWDWMSZJNGIHU-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545639 1231286179 /nfs/dbraw/zinc/28/61/79/1231286179.db2.gz TWHVRWCJZGACMH-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699694 1231339964 /nfs/dbraw/zinc/33/99/64/1231339964.db2.gz DEWQQHFBNSEVIU-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042123541 1231904676 /nfs/dbraw/zinc/90/46/76/1231904676.db2.gz SQXYLOIBLKSIOM-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC001045647052 1233880900 /nfs/dbraw/zinc/88/09/00/1233880900.db2.gz PKMGCKBICZMYGC-UHFFFAOYSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047241610 1235729533 /nfs/dbraw/zinc/72/95/33/1235729533.db2.gz FEWVRRVTVOJOML-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001048589865 1238041611 /nfs/dbraw/zinc/04/16/11/1238041611.db2.gz BXRKEVAVORKTAB-FNLKRUPLSA-N 2 0 343.515 2.101 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048590582 1238043832 /nfs/dbraw/zinc/04/38/32/1238043832.db2.gz OURXVMINABCNKP-FCGDIQPGSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048817892 1238730833 /nfs/dbraw/zinc/73/08/33/1238730833.db2.gz ZCMPTRVAIUBUSH-OWCLPIDISA-N 2 0 325.884 2.002 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887793 1239147235 /nfs/dbraw/zinc/14/72/35/1239147235.db2.gz DQMSCTAISVSZME-HCXYKTFWSA-N 2 0 331.504 2.360 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194482 1240048954 /nfs/dbraw/zinc/04/89/54/1240048954.db2.gz VTALLYONSUGCDX-CABCVRRESA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001000315746 1240162690 /nfs/dbraw/zinc/16/26/90/1240162690.db2.gz CASPLGLXXBRQBM-SJLPKXTDSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049166072 1240165458 /nfs/dbraw/zinc/16/54/58/1240165458.db2.gz NAASJDZBUSJVAW-QKLQHJQFSA-N 2 0 327.472 2.040 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000593741 1240562577 /nfs/dbraw/zinc/56/25/77/1240562577.db2.gz RLWIXGFQOSLQPO-INIZCTEOSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048610 1242719929 /nfs/dbraw/zinc/71/99/29/1242719929.db2.gz GIBLFEDCWKRYOV-NLWGTHIKSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050575276 1243870997 /nfs/dbraw/zinc/87/09/97/1243870997.db2.gz ALQKXEAPKNGLRG-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)cccc2C1 ZINC001051288742 1245481630 /nfs/dbraw/zinc/48/16/30/1245481630.db2.gz VUGKJRYYSZFCFH-HXUWFJFHSA-N 2 0 339.483 2.189 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965830 1245571994 /nfs/dbraw/zinc/57/19/94/1245571994.db2.gz BVKHVLTWJZFKNM-MRXNPFEDSA-N 2 0 331.460 2.339 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027116 1245704155 /nfs/dbraw/zinc/70/41/55/1245704155.db2.gz AFHNEQRVUZWQEM-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052590198 1247620499 /nfs/dbraw/zinc/62/04/99/1247620499.db2.gz VXQZPBDAEMRCRR-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099496881 1258178036 /nfs/dbraw/zinc/17/80/36/1258178036.db2.gz MZVSQRKSGNPDSP-FJIDUMEYSA-N 2 0 333.520 2.462 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC/C=C/CC)C2)CC1 ZINC001101025174 1259577601 /nfs/dbraw/zinc/57/76/01/1259577601.db2.gz YTYCDYALGMDLIM-AATRIKPKSA-N 2 0 331.504 2.172 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298857 1278315033 /nfs/dbraw/zinc/31/50/33/1278315033.db2.gz PYMMPXYPDZTZMD-HZPDHXFCSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299272 1278316866 /nfs/dbraw/zinc/31/68/66/1278316866.db2.gz VDDVXNTVVZUKFS-OLZOCXBDSA-N 2 0 346.313 2.110 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC(C)C)[C@@H](C)C2)CC1 ZINC001185729421 1278766150 /nfs/dbraw/zinc/76/61/50/1278766150.db2.gz HRRPVYYJUFYXKY-AZUAARDMSA-N 2 0 347.547 2.452 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201061838 1287259699 /nfs/dbraw/zinc/25/96/99/1287259699.db2.gz BNLSWOBBTKMJJB-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001186604219 1279174951 /nfs/dbraw/zinc/17/49/51/1279174951.db2.gz AYHBNJVDKWPWED-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001188092267 1279762254 /nfs/dbraw/zinc/76/22/54/1279762254.db2.gz UJBMURNXLJXNPE-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312056 1284753104 /nfs/dbraw/zinc/75/31/04/1284753104.db2.gz QLKWVXBYEUZBTI-ZIAGYGMSSA-N 2 0 325.884 2.098 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148535 1289930893 /nfs/dbraw/zinc/93/08/93/1289930893.db2.gz XMYQXZAGJIMVIS-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754139 1294187840 /nfs/dbraw/zinc/18/78/40/1294187840.db2.gz GLHJLLIAIJUMMB-YRXWBPOGSA-N 2 0 349.519 2.031 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211241372 1295775626 /nfs/dbraw/zinc/77/56/26/1295775626.db2.gz SYMRCXTVWPVYIG-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001073603393 1297299377 /nfs/dbraw/zinc/29/93/77/1297299377.db2.gz FPOSDKPHAVECAQ-HKUYNNGSSA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1c(NC(=O)c2csc3c2CC[NH2+]C3)sc2c1CC[NH2+]C2 ZINC001218556105 1297711754 /nfs/dbraw/zinc/71/17/54/1297711754.db2.gz PUTZSSLJSMOFFD-UHFFFAOYSA-N 2 0 344.465 2.225 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001220868281 1298565629 /nfs/dbraw/zinc/56/56/29/1298565629.db2.gz GABOWZOMBMQLEH-CEXWTWQISA-N 2 0 327.472 2.289 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790293 1299861698 /nfs/dbraw/zinc/86/16/98/1299861698.db2.gz WLFLYPVKQWRRRH-IKGGRYGDSA-N 2 0 325.472 2.165 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372905 1300951911 /nfs/dbraw/zinc/95/19/11/1300951911.db2.gz PYGNAMJREOZVQS-MDZRGWNJSA-N 2 0 339.499 2.459 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001228254776 1302177083 /nfs/dbraw/zinc/17/70/83/1302177083.db2.gz IFCUXGRSDHGTFB-IAGOWNOFSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103434175 1302955667 /nfs/dbraw/zinc/95/56/67/1302955667.db2.gz SGSWVEZQYGUSCZ-VNQPRFMTSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)CC[N@@H+](C)CC)Cc1cccnc1 ZINC001230891029 1303527992 /nfs/dbraw/zinc/52/79/92/1303527992.db2.gz MFVBEPLDNUXZNR-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782758 1303878600 /nfs/dbraw/zinc/87/86/00/1303878600.db2.gz WYTDPHIMGVOYGW-BJLQDIEVSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006354 1304151459 /nfs/dbraw/zinc/15/14/59/1304151459.db2.gz VUQIAQIAUNRQFC-ICSRJNTNSA-N 2 0 349.519 2.036 20 30 EEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H](N)Cc3ccccc3)C2)C1=O ZINC001235495031 1305252280 /nfs/dbraw/zinc/25/22/80/1305252280.db2.gz VNVVZJFMNGERFV-UYAOXDASSA-N 2 0 327.472 2.057 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421951 1309523993 /nfs/dbraw/zinc/52/39/93/1309523993.db2.gz GVNAFBMZANJDRV-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448476 1309545519 /nfs/dbraw/zinc/54/55/19/1309545519.db2.gz AQXMCTQTFYWRRS-OALUTQOASA-N 2 0 333.520 2.445 20 30 EEEDRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001121702871 1310108854 /nfs/dbraw/zinc/10/88/54/1310108854.db2.gz KMPBIHASARYFSK-UHFFFAOYSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122328894 1310260952 /nfs/dbraw/zinc/26/09/52/1310260952.db2.gz YSLHMLGEUHSERP-QZTJIDSGSA-N 2 0 332.492 2.155 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001246305659 1310276824 /nfs/dbraw/zinc/27/68/24/1310276824.db2.gz INJDZYWVVUWEEL-AEFFLSMTSA-N 3 0 337.508 2.210 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246314629 1310278956 /nfs/dbraw/zinc/27/89/56/1310278956.db2.gz XTVGHSDAIGAQQN-ZACQAIPSSA-N 2 0 325.497 2.114 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246314650 1310279265 /nfs/dbraw/zinc/27/92/65/1310279265.db2.gz YCZHXWMKJZSRMI-YVSFHVDLSA-N 2 0 325.497 2.112 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246519144 1310330873 /nfs/dbraw/zinc/33/08/73/1310330873.db2.gz MZAWNSNPDDEPOU-LPHOPBHVSA-N 2 0 342.487 2.199 20 30 EEEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001149921203 1316091073 /nfs/dbraw/zinc/09/10/73/1316091073.db2.gz KQJUCFQWYFHJEH-QGZVFWFLSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001151026640 1316432775 /nfs/dbraw/zinc/43/27/75/1316432775.db2.gz IDUZWTOAZOYKFD-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206654046 1317504600 /nfs/dbraw/zinc/50/46/00/1317504600.db2.gz UQKOYLHWIVOMEY-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255592 1317525329 /nfs/dbraw/zinc/52/53/29/1317525329.db2.gz VILVJOCYVXHEKD-HUUCEWRRSA-N 2 0 348.516 2.288 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927608 1318294019 /nfs/dbraw/zinc/29/40/19/1318294019.db2.gz MWHIVSBVOHERPJ-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158750292 1319417717 /nfs/dbraw/zinc/41/77/17/1319417717.db2.gz JYLRIOMUFIFDQD-JKSUJKDBSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC=C)CC1 ZINC001158914242 1319503944 /nfs/dbraw/zinc/50/39/44/1319503944.db2.gz KXKBZOQVTYMZOI-LJQANCHMSA-N 2 0 331.504 2.221 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390760 1320485259 /nfs/dbraw/zinc/48/52/59/1320485259.db2.gz JFDATEMGSGPEQK-LJQANCHMSA-N 2 0 331.504 2.411 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC001161947109 1320689882 /nfs/dbraw/zinc/68/98/82/1320689882.db2.gz YGJPXZRQLOFPCB-LJQANCHMSA-N 2 0 349.494 2.218 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994106 1320711132 /nfs/dbraw/zinc/71/11/32/1320711132.db2.gz UDBPQHNAXARTPL-UHFFFAOYSA-N 2 0 331.504 2.414 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)(COC)CC1 ZINC001162533783 1320888528 /nfs/dbraw/zinc/88/85/28/1320888528.db2.gz STYVTTHTXQWRLM-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001162934943 1320991218 /nfs/dbraw/zinc/99/12/18/1320991218.db2.gz MIZZOMGWJYABLD-ICSRJNTNSA-N 2 0 343.515 2.421 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588447 1321917917 /nfs/dbraw/zinc/91/79/17/1321917917.db2.gz NLRJSMPMQCPUAC-MOPGFXCFSA-N 2 0 343.515 2.149 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205296930 1322345187 /nfs/dbraw/zinc/34/51/87/1322345187.db2.gz JCPHMHDOVGNJKZ-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001207757642 1324130320 /nfs/dbraw/zinc/13/03/20/1324130320.db2.gz IHVUOURYGQWZFU-CZUORRHYSA-N 2 0 348.516 2.287 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209651184 1324999843 /nfs/dbraw/zinc/99/98/43/1324999843.db2.gz NTFRPERPAANOMB-LJQANCHMSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001319093550 1332648560 /nfs/dbraw/zinc/64/85/60/1332648560.db2.gz VZTJVBATBPEMRB-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001339880327 1337089621 /nfs/dbraw/zinc/08/96/21/1337089621.db2.gz OFZFIXMLZWZNFX-HOTGVXAUSA-N 2 0 346.523 2.192 20 30 EEEDRP N#Cc1cccc(NC(=O)CC[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC001647231888 1353200376 /nfs/dbraw/zinc/20/03/76/1353200376.db2.gz MISMZJKCOIBAGF-UHFFFAOYSA-N 2 0 326.444 2.493 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557587 1368819647 /nfs/dbraw/zinc/81/96/47/1368819647.db2.gz IKFQDTCKMZLSMG-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852866946 1369309005 /nfs/dbraw/zinc/30/90/05/1369309005.db2.gz NYUGZGVGHWJWPG-KRWDZBQOSA-N 2 0 339.483 2.331 20 30 EEEDRP CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001100442313 1373042502 /nfs/dbraw/zinc/04/25/02/1373042502.db2.gz ANWTYYPFMYZWBP-JFUPDXTOSA-N 2 0 346.450 2.022 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001366435874 1373897716 /nfs/dbraw/zinc/89/77/16/1373897716.db2.gz UTMIYMUPGQAKQN-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001366513400 1373928745 /nfs/dbraw/zinc/92/87/45/1373928745.db2.gz RCOJSAABSKQZHA-HNNXBMFYSA-N 2 0 348.516 2.480 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001371662277 1375563086 /nfs/dbraw/zinc/56/30/86/1375563086.db2.gz YKEDCCQFDLTZKR-KBPBESRZSA-N 2 0 346.313 2.254 20 30 EEEDRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC001372444567 1376009055 /nfs/dbraw/zinc/00/90/55/1376009055.db2.gz JJCXCIYLVOSWFP-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001376328820 1378467568 /nfs/dbraw/zinc/46/75/68/1378467568.db2.gz HTUVBQYWXBQEDD-SFHVURJKSA-N 2 0 342.487 2.227 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205012 1379785227 /nfs/dbraw/zinc/78/52/27/1379785227.db2.gz VRMNTAHDNNEKGG-KDOFPFPSSA-N 2 0 348.466 2.220 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205025 1379785467 /nfs/dbraw/zinc/78/54/67/1379785467.db2.gz VRMNTAHDNNEKGG-RDTXWAMCSA-N 2 0 348.466 2.220 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001379817818 1380904403 /nfs/dbraw/zinc/90/44/03/1380904403.db2.gz PWMPYPVKJBJNRT-GJZGRUSLSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001391337929 1389277986 /nfs/dbraw/zinc/27/79/86/1389277986.db2.gz ZCYNHAUGWCINRP-INIZCTEOSA-N 2 0 327.900 2.299 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001752743858 1406370163 /nfs/dbraw/zinc/37/01/63/1406370163.db2.gz QUNRLUSGGGLEDY-OAGGEKHMSA-N 2 0 339.443 2.472 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001392130183 1389832538 /nfs/dbraw/zinc/83/25/38/1389832538.db2.gz KTXXSCXOHLCVPQ-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCC[NH+]1C ZINC001393612612 1390493483 /nfs/dbraw/zinc/49/34/83/1390493483.db2.gz HRPKGNROENJKOJ-SFHVURJKSA-N 2 0 346.450 2.072 20 30 EEEDRP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C[NH+]1CCC(C)CC1 ZINC001754074140 1406835738 /nfs/dbraw/zinc/83/57/38/1406835738.db2.gz MNCIDJNTWZKQEM-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1CC ZINC001754469334 1406914573 /nfs/dbraw/zinc/91/45/73/1406914573.db2.gz UXKUHWMBWZTQRO-OALUTQOASA-N 2 0 333.520 2.493 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001403144733 1398424995 /nfs/dbraw/zinc/42/49/95/1398424995.db2.gz REVDUNQANRUVJO-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001755055779 1407062902 /nfs/dbraw/zinc/06/29/02/1407062902.db2.gz OEZWPIMNCXZTAX-DLBZAZTESA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755133201 1407141226 /nfs/dbraw/zinc/14/12/26/1407141226.db2.gz GNMZMVXSERMNAV-UHFFFAOYSA-N 2 0 339.524 2.138 20 30 EEEDRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001424876398 1401270261 /nfs/dbraw/zinc/27/02/61/1401270261.db2.gz NEAYZLMIWDPAJD-GOSISDBHSA-N 2 0 344.503 2.473 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001574850300 1403526314 /nfs/dbraw/zinc/52/63/14/1403526314.db2.gz WXRCLIJWFWXILR-RBUKOAKNSA-N 2 0 329.488 2.303 20 30 EEEDRP C[N@@H+]1CCCN(Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000303900013 1409792678 /nfs/dbraw/zinc/79/26/78/1409792678.db2.gz WKRGSVIDDGXWKX-UHFFFAOYSA-N 2 0 331.508 2.027 20 30 EEEDRP Cc1ccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000305679192 1409802325 /nfs/dbraw/zinc/80/23/25/1409802325.db2.gz MJKLNEJUGYRQFP-UHFFFAOYSA-N 2 0 327.432 2.257 20 30 EEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001100401497 1410648545 /nfs/dbraw/zinc/64/85/45/1410648545.db2.gz AXJWNKGLCKDMCJ-TVPLGVNVSA-N 2 0 349.519 2.080 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676762 764721514 /nfs/dbraw/zinc/72/15/14/764721514.db2.gz XBZKZUBIHSUXTQ-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001112528622 770301620 /nfs/dbraw/zinc/30/16/20/770301620.db2.gz JRZVQVYHEUYSBF-BJLQDIEVSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210240 783061617 /nfs/dbraw/zinc/06/16/17/783061617.db2.gz CSTPRPWJHUANQR-MOPGFXCFSA-N 2 0 327.472 2.328 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980151544 773958349 /nfs/dbraw/zinc/95/83/49/773958349.db2.gz CYELDJFRWLLEDN-JQHSSLGASA-N 2 0 343.471 2.195 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001089660527 774043214 /nfs/dbraw/zinc/04/32/14/774043214.db2.gz KRMCIHYUVNQRGN-DLBZAZTESA-N 2 0 342.487 2.076 20 30 EEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660657 774045433 /nfs/dbraw/zinc/04/54/33/774045433.db2.gz NECKDECWRHKBSW-MRXNPFEDSA-N 2 0 338.455 2.496 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779651 783197094 /nfs/dbraw/zinc/19/70/94/783197094.db2.gz SFXFERCQZMHVJX-LLLHUVSDSA-N 2 0 339.911 2.107 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453990 776594983 /nfs/dbraw/zinc/59/49/83/776594983.db2.gz OLTDDMCHLSAQMH-BBRMVZONSA-N 2 0 327.900 2.296 20 30 EEEDRP CC#CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169322 776662757 /nfs/dbraw/zinc/66/27/57/776662757.db2.gz RHEJSWSCXUVIGW-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089819411 776798859 /nfs/dbraw/zinc/79/88/59/776798859.db2.gz GOUBWXSPBGUXCC-MLHJIOFPSA-N 2 0 331.504 2.216 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001089824050 777046989 /nfs/dbraw/zinc/04/69/89/777046989.db2.gz IVEOYVNKADZUHX-RDGPPVDQSA-N 2 0 343.515 2.217 20 30 EEEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC000982115585 779125463 /nfs/dbraw/zinc/12/54/63/779125463.db2.gz XFLYBQUOYZBOQM-HXUWFJFHSA-N 2 0 339.483 2.021 20 30 EEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295374 779603401 /nfs/dbraw/zinc/60/34/01/779603401.db2.gz SCKYIVOEMNDBAS-RLLQIKCJSA-N 2 0 333.520 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001028332997 780772094 /nfs/dbraw/zinc/77/20/94/780772094.db2.gz AXBXSZIGJIVOMX-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)CC1 ZINC001028334183 780786441 /nfs/dbraw/zinc/78/64/41/780786441.db2.gz WGCGWBUOEDKYPX-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087572661 781866520 /nfs/dbraw/zinc/86/65/20/781866520.db2.gz AMGXOJNUBOMZIY-YTQUADARSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135307118 783565851 /nfs/dbraw/zinc/56/58/51/783565851.db2.gz ANAROQXPFYSSGA-CHWSQXEVSA-N 2 0 334.302 2.110 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001035051862 783658554 /nfs/dbraw/zinc/65/85/54/783658554.db2.gz SIXJWDDMONFSOB-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185452 784023222 /nfs/dbraw/zinc/02/32/22/784023222.db2.gz WGXHDPZGDUHUIR-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CC(=C)C)C3)CC2)CC1 ZINC001035257857 784209997 /nfs/dbraw/zinc/20/99/97/784209997.db2.gz YEUJVJRRIQZUHT-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@](C)(c1ccccc1)[NH+](C)C)CC2 ZINC001035837592 785260776 /nfs/dbraw/zinc/26/07/76/785260776.db2.gz LRZFQEMUICQSGB-HXUWFJFHSA-N 2 0 339.483 2.021 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914961 785837877 /nfs/dbraw/zinc/83/78/77/785837877.db2.gz NAVVQRPKODDGAF-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821360 787426711 /nfs/dbraw/zinc/42/67/11/787426711.db2.gz OLWZNIXIGDGKJY-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646815 787996856 /nfs/dbraw/zinc/99/68/56/787996856.db2.gz XLZHYVZFEAOTCJ-SFHLNBCPSA-N 2 0 345.531 2.491 20 30 EEEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816134 788523825 /nfs/dbraw/zinc/52/38/25/788523825.db2.gz AWXJNUNLFXHOHM-MJGOQNOKSA-N 2 0 339.524 2.258 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c(OC)c1 ZINC000923346865 789424949 /nfs/dbraw/zinc/42/49/49/789424949.db2.gz WIPCMJVOGYITDA-KURKYZTESA-N 2 0 348.487 2.223 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)CC1 ZINC000997365022 789736959 /nfs/dbraw/zinc/73/69/59/789736959.db2.gz PPNCIQXADQZYSY-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCCC)CC2)CC1 ZINC000997874460 791328689 /nfs/dbraw/zinc/32/86/89/791328689.db2.gz OMNMWUHPLKSDMY-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998005658 791817315 /nfs/dbraw/zinc/81/73/15/791817315.db2.gz HRSQCFWVNHBKBC-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071292 793534348 /nfs/dbraw/zinc/53/43/48/793534348.db2.gz PIUPERDUOJKZMG-GGPKGHCWSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730861 794676431 /nfs/dbraw/zinc/67/64/31/794676431.db2.gz KIVAWRUEWHTPBK-RDJZCZTQSA-N 2 0 345.512 2.369 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001093374065 795108006 /nfs/dbraw/zinc/10/80/06/795108006.db2.gz YJWQGYXSVVJYQD-RTBURBONSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001093378455 795114904 /nfs/dbraw/zinc/11/49/04/795114904.db2.gz OHWOZWXSAYJZET-PXNSSMCTSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835140 795340256 /nfs/dbraw/zinc/34/02/56/795340256.db2.gz VJQSRDWGNCPEBX-QZTJIDSGSA-N 2 0 342.487 2.343 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498299 796291825 /nfs/dbraw/zinc/29/18/25/796291825.db2.gz DRLYAGGNMOXTGO-YLJYHZDGSA-N 2 0 343.471 2.339 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CCC3)C2)CC1 ZINC001036903148 796441623 /nfs/dbraw/zinc/44/16/23/796441623.db2.gz WPBWUCVCZLFSRB-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099263683 796454137 /nfs/dbraw/zinc/45/41/37/796454137.db2.gz WBQGFEYCUAUNMD-RRFJBIMHSA-N 2 0 347.425 2.129 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081095796 796628536 /nfs/dbraw/zinc/62/85/36/796628536.db2.gz USJGBBSNJVQKII-OTWHNJEPSA-N 2 0 327.472 2.241 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001081215955 796674896 /nfs/dbraw/zinc/67/48/96/796674896.db2.gz XVTJMBFTPKMSCP-RBUKOAKNSA-N 2 0 339.483 2.243 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078688875 796869230 /nfs/dbraw/zinc/86/92/30/796869230.db2.gz XFCUNRARRCFDOU-OALUTQOASA-N 2 0 339.483 2.055 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094949901 797092268 /nfs/dbraw/zinc/09/22/68/797092268.db2.gz BQQIUVSHHXTUAQ-BQFCYCMXSA-N 2 0 331.504 2.242 20 30 EEEDRP C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992055 797201617 /nfs/dbraw/zinc/20/16/17/797201617.db2.gz PWETXBIVTGMTBJ-JTDSTZFVSA-N 2 0 348.491 2.306 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384111 797487332 /nfs/dbraw/zinc/48/73/32/797487332.db2.gz DJNZBKRYULCDNB-RTBURBONSA-N 2 0 345.487 2.143 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[NH+](C)C ZINC001175056298 797980221 /nfs/dbraw/zinc/98/02/21/797980221.db2.gz LRGSFBTWPMTGIU-INIZCTEOSA-N 2 0 330.476 2.275 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392516 798333626 /nfs/dbraw/zinc/33/36/26/798333626.db2.gz WBIQIOMWKQQFHV-FGTMMUONSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176111042 798353729 /nfs/dbraw/zinc/35/37/29/798353729.db2.gz FHIVVNCWUZOONB-KRWDZBQOSA-N 2 0 333.520 2.396 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328520 798865332 /nfs/dbraw/zinc/86/53/32/798865332.db2.gz MNDDOIMDMFPRMX-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001179461151 799934291 /nfs/dbraw/zinc/93/42/91/799934291.db2.gz CKHNGDOWOPUREM-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749909 800089124 /nfs/dbraw/zinc/08/91/24/800089124.db2.gz ZZDSKMABJPFNSJ-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274744 800344418 /nfs/dbraw/zinc/34/44/18/800344418.db2.gz UQVLPHVUVOXYLW-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085422380 800480892 /nfs/dbraw/zinc/48/08/92/800480892.db2.gz QZYXQKOOBHZQGG-IPMKNSEASA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001181640822 800846428 /nfs/dbraw/zinc/84/64/28/800846428.db2.gz GCRXZHZSEFYONY-FRFSOERESA-N 2 0 347.906 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083229 801508847 /nfs/dbraw/zinc/50/88/47/801508847.db2.gz ZINYRSXJDCKIHM-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440259 802049819 /nfs/dbraw/zinc/04/98/19/802049819.db2.gz YODJXGDTWHZKDI-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184556413 802070264 /nfs/dbraw/zinc/07/02/64/802070264.db2.gz PAYGMMZPGHZYBM-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623491 802287774 /nfs/dbraw/zinc/28/77/74/802287774.db2.gz KFELVIYFLVTIRW-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733727 804420094 /nfs/dbraw/zinc/42/00/94/804420094.db2.gz ZEYNIIUHJAXOMH-OTWHNJEPSA-N 2 0 345.531 2.491 20 30 EEEDRP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001437626619 1090141013 /nfs/dbraw/zinc/14/10/13/1090141013.db2.gz VDGOFCKJJWVOJB-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001438707694 1091221261 /nfs/dbraw/zinc/22/12/61/1091221261.db2.gz WUZDBCPUWXWFRF-KDOFPFPSSA-N 2 0 348.466 2.220 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001501968770 1113541831 /nfs/dbraw/zinc/54/18/31/1113541831.db2.gz VGAXKKHKXUUCNM-MRXNPFEDSA-N 2 0 346.500 2.233 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001507293423 1115177949 /nfs/dbraw/zinc/17/79/49/1115177949.db2.gz RTABMCGZUMOGDA-RHSMWYFYSA-N 2 0 348.516 2.431 20 30 EEEDRP C[NH+]1CCC(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000330168752 539788919 /nfs/dbraw/zinc/78/89/19/539788919.db2.gz CUBCCIXEBBFTSI-QZTJIDSGSA-N 2 0 337.508 2.443 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000491639667 533103751 /nfs/dbraw/zinc/10/37/51/533103751.db2.gz XBTALNLMGPPACK-UHFFFAOYSA-N 2 0 334.508 2.038 20 30 EEEDRP N#Cc1csc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000343955689 161183905 /nfs/dbraw/zinc/18/39/05/161183905.db2.gz NZDQBLSSHPVDPH-UHFFFAOYSA-N 2 0 341.484 2.317 20 30 EEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1OC ZINC000344123814 161200392 /nfs/dbraw/zinc/20/03/92/161200392.db2.gz GTJSAMJEFZRVJS-UHFFFAOYSA-N 2 0 344.503 2.416 20 30 EEEDRP N#Cc1cccc(C#N)c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000436320075 268270878 /nfs/dbraw/zinc/27/08/78/268270878.db2.gz RXVLUWKWSXWBGE-UHFFFAOYSA-N 2 0 346.438 2.449 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000104155205 277585437 /nfs/dbraw/zinc/58/54/37/277585437.db2.gz IGKWJWSNHPZUNR-GJZGRUSLSA-N 2 0 338.521 2.460 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116690 462689771 /nfs/dbraw/zinc/68/97/71/462689771.db2.gz CTLFYOJVTZFGQN-AEFFLSMTSA-N 2 0 326.444 2.303 20 30 EEEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158725132 463249291 /nfs/dbraw/zinc/24/92/91/463249291.db2.gz ZNXAHJTYEGEUDL-BRWVUGGUSA-N 2 0 332.492 2.134 20 30 EEEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123396586 463338517 /nfs/dbraw/zinc/33/85/17/463338517.db2.gz UAJDDMNHIRUAGC-LPHOPBHVSA-N 2 0 336.524 2.483 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000057174808 463461203 /nfs/dbraw/zinc/46/12/03/463461203.db2.gz XJYAAIUHNFORBR-UHFFFAOYSA-N 2 0 341.499 2.490 20 30 EEEDRP C[C@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCCO1 ZINC000277533512 463920191 /nfs/dbraw/zinc/92/01/91/463920191.db2.gz XSNSSZQKBVGHBV-HNNXBMFYSA-N 2 0 330.476 2.403 20 30 EEEDRP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261994240 463920672 /nfs/dbraw/zinc/92/06/72/463920672.db2.gz RZYDKMHEFVMWHE-GYZWRVLVSA-N 2 0 338.499 2.220 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000172584865 464111326 /nfs/dbraw/zinc/11/13/26/464111326.db2.gz HYSNXGTXRUJFJJ-GOSISDBHSA-N 2 0 334.508 2.297 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)on1 ZINC000264107129 464283941 /nfs/dbraw/zinc/28/39/41/464283941.db2.gz PXYOWUVSAVXCSD-INIZCTEOSA-N 2 0 327.432 2.230 20 30 EEEDRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551997 468420200 /nfs/dbraw/zinc/42/02/00/468420200.db2.gz SBAJCLWCHBYLMB-SJLPKXTDSA-N 2 0 333.476 2.254 20 30 EEEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)Nc1cccc2c1CCCC2 ZINC000267343891 464927870 /nfs/dbraw/zinc/92/78/70/464927870.db2.gz TYCYULWZCMMHQT-UHFFFAOYSA-N 2 0 330.476 2.139 20 30 EEEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000352429764 465527080 /nfs/dbraw/zinc/52/70/80/465527080.db2.gz BXARFBQXSRGOLQ-ZCNNSNEGSA-N 2 0 339.483 2.227 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368141274 466583175 /nfs/dbraw/zinc/58/31/75/466583175.db2.gz DDPNYEOFTIJOST-GOSISDBHSA-N 2 0 325.472 2.356 20 30 EEEDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388478 466735689 /nfs/dbraw/zinc/73/56/89/466735689.db2.gz MTJYXPFQLRJJFZ-WFASDCNBSA-N 2 0 326.366 2.045 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)C(C)C ZINC000417066639 466768829 /nfs/dbraw/zinc/76/88/29/466768829.db2.gz QUWQQXLTHBKIEC-QGZVFWFLSA-N 2 0 336.524 2.374 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000424130723 466986169 /nfs/dbraw/zinc/98/61/69/466986169.db2.gz HQVZMOXKMOXXCJ-OALUTQOASA-N 2 0 342.487 2.207 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000106341037 526584757 /nfs/dbraw/zinc/58/47/57/526584757.db2.gz DDQCEQQAXHOTAT-SFHVURJKSA-N 2 0 334.508 2.297 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000729684183 576672243 /nfs/dbraw/zinc/67/22/43/576672243.db2.gz KQOJWZCXKLHKJF-QGZVFWFLSA-N 2 0 330.476 2.095 20 30 EEEDRP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000775344473 577435504 /nfs/dbraw/zinc/43/55/04/577435504.db2.gz IGRMLUATTALSDP-VQTJNVASSA-N 2 0 328.456 2.432 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC000970789073 676152801 /nfs/dbraw/zinc/15/28/01/676152801.db2.gz UMZFSQFMEAYBPO-FXAWDEMLSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326652 675790347 /nfs/dbraw/zinc/79/03/47/675790347.db2.gz UVTVVHBTTGCPOD-APWZRJJASA-N 2 0 331.504 2.243 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000971785637 676790497 /nfs/dbraw/zinc/79/04/97/676790497.db2.gz XLPGWTGTCBNIGE-FUHWJXTLSA-N 2 0 346.450 2.070 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001022534631 677831311 /nfs/dbraw/zinc/83/13/11/677831311.db2.gz ZJQFBFBRXKNRAS-HDICACEKSA-N 2 0 340.471 2.169 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400828 678685440 /nfs/dbraw/zinc/68/54/40/678685440.db2.gz BLIOREUNQPDDJN-AQNXPRMDSA-N 2 0 341.499 2.441 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023125517 679134968 /nfs/dbraw/zinc/13/49/68/679134968.db2.gz RROWFXATDLQRGK-ZQDZILKHSA-N 2 0 346.500 2.229 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000246406203 679212598 /nfs/dbraw/zinc/21/25/98/679212598.db2.gz LQHHCNZVEGLFAT-RCCFBDPRSA-N 2 0 348.535 2.229 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001024365463 679883139 /nfs/dbraw/zinc/88/31/39/679883139.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001024666708 681327491 /nfs/dbraw/zinc/32/74/91/681327491.db2.gz SMZYNWXNMQECLA-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586109 683044398 /nfs/dbraw/zinc/04/43/98/683044398.db2.gz WECKVEHDDLOKNA-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627624 683153772 /nfs/dbraw/zinc/15/37/72/683153772.db2.gz AJQBPNDPGFWFEA-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631235 683169729 /nfs/dbraw/zinc/16/97/29/683169729.db2.gz YSGLFPNICKTMDZ-SJORKVTESA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC000992729920 683316278 /nfs/dbraw/zinc/31/62/78/683316278.db2.gz PJVMAYPUJPLLON-OKZBNKHCSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC000992740452 683334712 /nfs/dbraw/zinc/33/47/12/683334712.db2.gz MRWKTGWOOADKPS-AYOQOUSVSA-N 2 0 336.439 2.106 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647025 693746711 /nfs/dbraw/zinc/74/67/11/693746711.db2.gz KPTZARIDCLZDMG-AZUAARDMSA-N 2 0 327.472 2.019 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038366681 684475456 /nfs/dbraw/zinc/47/54/56/684475456.db2.gz IKLYJUCYWOOKEH-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc2c1OCC2 ZINC000262402226 685781293 /nfs/dbraw/zinc/78/12/93/685781293.db2.gz VKMKCMOGRNGOGW-OAHLLOKOSA-N 2 0 336.867 2.164 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699610 694022451 /nfs/dbraw/zinc/02/24/51/694022451.db2.gz GUODZRMWMMKBIR-MRXNPFEDSA-N 2 0 331.460 2.291 20 30 EEEDRP C=C(Cl)CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040116601 687134893 /nfs/dbraw/zinc/13/48/93/687134893.db2.gz ZFTAXWBOSDLZFM-NVXWUHKLSA-N 2 0 325.884 2.148 20 30 EEEDRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC000986348852 688521831 /nfs/dbraw/zinc/52/18/31/688521831.db2.gz BNGHWYHUDPRFAV-WBMJQRKESA-N 2 0 343.456 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989663841 692148524 /nfs/dbraw/zinc/14/85/24/692148524.db2.gz CAOVQTXWEXKFLI-WMLDXEAASA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C[C@H]2C)CC1 ZINC000989829033 692371991 /nfs/dbraw/zinc/37/19/91/692371991.db2.gz NHSSFHABJKWSQT-XLIONFOSSA-N 2 0 343.515 2.411 20 30 EEEDRP N#CCCCN1CC[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272716594 1191977251 /nfs/dbraw/zinc/97/72/51/1191977251.db2.gz IMUPWPIHDGTGCG-LJQANCHMSA-N 2 0 332.492 2.091 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC/C=C\CC)[C@H](C)C2)CC1 ZINC001107033930 1192831529 /nfs/dbraw/zinc/83/15/29/1192831529.db2.gz DXPTVSXJSZIQAJ-CWHLKURSSA-N 2 0 345.531 2.372 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892784 1193201390 /nfs/dbraw/zinc/20/13/90/1193201390.db2.gz LQRQAQUFSDZWOC-NXOAAHMSSA-N 2 0 349.906 2.004 20 30 EEEDRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085309 1183314384 /nfs/dbraw/zinc/31/43/84/1183314384.db2.gz OFNRHLNKYMAIMM-MAUKXSAKSA-N 2 0 347.890 2.128 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001482141620 1183457675 /nfs/dbraw/zinc/45/76/75/1183457675.db2.gz FPELVXRQWXECIS-QGTPRVQTSA-N 2 0 349.906 2.426 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769961 1188488528 /nfs/dbraw/zinc/48/85/28/1188488528.db2.gz PPAMZDNLRNNYKO-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001752920347 1190906155 /nfs/dbraw/zinc/90/61/55/1190906155.db2.gz BMEPUMZJFIWJMJ-LXPRWKDFSA-N 2 0 333.520 2.252 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210984 1195948999 /nfs/dbraw/zinc/94/89/99/1195948999.db2.gz JVKHJQWVIWPJHJ-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)C1 ZINC001273143976 1197012569 /nfs/dbraw/zinc/01/25/69/1197012569.db2.gz NAEOVDFPRWJHQN-GOSISDBHSA-N 2 0 346.519 2.337 20 30 EEEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001202539575 1198832088 /nfs/dbraw/zinc/83/20/88/1198832088.db2.gz OHTKODGBKMTRGH-UHFFFAOYSA-N 2 0 329.488 2.318 20 30 EEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132142162 1199375928 /nfs/dbraw/zinc/37/59/28/1199375928.db2.gz YVUGPWNEGLECNI-DLBZAZTESA-N 2 0 330.476 2.453 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132441473 1199726277 /nfs/dbraw/zinc/72/62/77/1199726277.db2.gz PRSMLBPWXLDEDI-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937620 1200212357 /nfs/dbraw/zinc/21/23/57/1200212357.db2.gz MFCMABSPOJRIIJ-WBVHZDCISA-N 2 0 338.455 2.354 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250519 1200642961 /nfs/dbraw/zinc/64/29/61/1200642961.db2.gz XSYCALVRCMGJIR-JKSUJKDBSA-N 2 0 330.476 2.412 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCCC=C)C2)CC1 ZINC001133336553 1200760106 /nfs/dbraw/zinc/76/01/06/1200760106.db2.gz CGHJAAXZGHIMOK-ICSRJNTNSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133337403 1200761257 /nfs/dbraw/zinc/76/12/57/1200761257.db2.gz NJXZLPJNROGHGC-LPHOPBHVSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000886660806 1202541451 /nfs/dbraw/zinc/54/14/51/1202541451.db2.gz GJTKBJPEEFURID-PKOBYXMFSA-N 2 0 329.488 2.375 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857962 1204928126 /nfs/dbraw/zinc/92/81/26/1204928126.db2.gz YLAZTRWPXHQKKF-QRVBRYPASA-N 2 0 331.504 2.386 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CCCc1cccc(C#N)c1)C2 ZINC001274890610 1205201468 /nfs/dbraw/zinc/20/14/68/1205201468.db2.gz KXHSVQSXZDRGQD-UXHICEINSA-N 2 0 326.488 2.059 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccon2)CC3)cc1C#N ZINC001276071394 1205760590 /nfs/dbraw/zinc/76/05/90/1205760590.db2.gz VQUNBGGGVAMSCB-UHFFFAOYSA-N 2 0 339.443 2.373 20 30 EEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006445033 1209760690 /nfs/dbraw/zinc/76/06/90/1209760690.db2.gz YQHANOLERXVDJP-UHFFFAOYSA-N 2 0 327.472 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C/C=C\Cl)CC2)CC1 ZINC001006445582 1209774557 /nfs/dbraw/zinc/77/45/57/1209774557.db2.gz KFKFTHVDQWYXFL-WTKPLQERSA-N 2 0 337.895 2.007 20 30 EEEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000303786441 1213905245 /nfs/dbraw/zinc/90/52/45/1213905245.db2.gz RKEJTNNSGXBHKR-SFHVURJKSA-N 2 0 331.508 2.248 20 30 EEEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000303883388 1213920226 /nfs/dbraw/zinc/92/02/26/1213920226.db2.gz IOBWZYGMAGYEJO-IRXDYDNUSA-N 2 0 344.503 2.311 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC000957592228 1215237445 /nfs/dbraw/zinc/23/74/45/1215237445.db2.gz QZFDWTCLIFOKDC-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226486 1217097557 /nfs/dbraw/zinc/09/75/57/1217097557.db2.gz HCPBONQIRHPIIM-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377982 1217165397 /nfs/dbraw/zinc/16/53/97/1217165397.db2.gz JJRATWNIPVTAPF-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383286 1217580241 /nfs/dbraw/zinc/58/02/41/1217580241.db2.gz MXDXPQIZFXASAQ-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390113 1217587179 /nfs/dbraw/zinc/58/71/79/1217587179.db2.gz JINUFOAHDAMZOU-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963420661 1217616929 /nfs/dbraw/zinc/61/69/29/1217616929.db2.gz LGFCEHHPWALZQR-TVPLGVNVSA-N 2 0 331.504 2.386 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425185 1220501383 /nfs/dbraw/zinc/50/13/83/1220501383.db2.gz YHFVYEONOCINAK-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968850564 1221621669 /nfs/dbraw/zinc/62/16/69/1221621669.db2.gz DBNGOCYRFNMSSJ-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016791635 1226882265 /nfs/dbraw/zinc/88/22/65/1226882265.db2.gz ULLQFQUEYHBONJ-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@H](C)CC)CC3)CC1 ZINC001016987747 1227015853 /nfs/dbraw/zinc/01/58/53/1227015853.db2.gz ZYIZYIHXZQPBER-IEBWSBKVSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416531 1229084367 /nfs/dbraw/zinc/08/43/67/1229084367.db2.gz OXCDKEGTBGZOKZ-KSZLIROESA-N 2 0 347.890 2.275 20 30 EEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167106 1230389878 /nfs/dbraw/zinc/38/98/78/1230389878.db2.gz MBTREATVFVWWEV-IBGZPJMESA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040232777 1231120334 /nfs/dbraw/zinc/12/03/34/1231120334.db2.gz UEGBKAAHMAUOQU-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040242718 1231128030 /nfs/dbraw/zinc/12/80/30/1231128030.db2.gz ZZFNMTASECDMAG-PZJWPPBQSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040479182 1231254026 /nfs/dbraw/zinc/25/40/26/1231254026.db2.gz OJYQGMPYJSTWGL-OAQYLSRUSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356830 1231518230 /nfs/dbraw/zinc/51/82/30/1231518230.db2.gz BMCXJQMKXFSKRU-WBVHZDCISA-N 2 0 325.884 2.004 20 30 EEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041607675 1231621965 /nfs/dbraw/zinc/62/19/65/1231621965.db2.gz ZNITVZPHIRJAQW-IBGZPJMESA-N 2 0 331.460 2.455 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743010 1231671005 /nfs/dbraw/zinc/67/10/05/1231671005.db2.gz ICGPSXNCYLOVJA-OAQYLSRUSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC(C)C)[C@H]3C2)CC1 ZINC001042367937 1232050432 /nfs/dbraw/zinc/05/04/32/1232050432.db2.gz MKDVBFXRTGGLBF-QUCCMNQESA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943528 1234202583 /nfs/dbraw/zinc/20/25/83/1234202583.db2.gz KGYONYOKEYXGFG-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943811 1234203514 /nfs/dbraw/zinc/20/35/14/1234203514.db2.gz PJHOSGLUWMQFIH-FPOVZHCZSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045944183 1234204133 /nfs/dbraw/zinc/20/41/33/1234204133.db2.gz ZHHDOKNRBKTTRE-LJQANCHMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947535 1234210161 /nfs/dbraw/zinc/21/01/61/1234210161.db2.gz GNWPLYXSFVOAJG-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950790 1234216988 /nfs/dbraw/zinc/21/69/88/1234216988.db2.gz LUSOQRVPKPUGGV-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951249 1234217656 /nfs/dbraw/zinc/21/76/56/1234217656.db2.gz BZPAULZCLMHXLJ-PZJWPPBQSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263501 1235774475 /nfs/dbraw/zinc/77/44/75/1235774475.db2.gz HOOBPVXEAYBVIW-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001055014546 1249590730 /nfs/dbraw/zinc/59/07/30/1249590730.db2.gz HOTGFMBAXSDVFU-FZMZJTMJSA-N 2 0 325.840 2.144 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000151511 1240002053 /nfs/dbraw/zinc/00/20/53/1240002053.db2.gz XJRNJRTWQIPGSU-GOSISDBHSA-N 2 0 331.504 2.243 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC001000221222 1240074466 /nfs/dbraw/zinc/07/44/66/1240074466.db2.gz XKDXSQRLWYMINS-ROUUACIJSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049524910 1241246450 /nfs/dbraw/zinc/24/64/50/1241246450.db2.gz OQHUJRMYYWPWLH-GUDVDZBRSA-N 2 0 331.504 2.338 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768680 1242136989 /nfs/dbraw/zinc/13/69/89/1242136989.db2.gz YMOZZFCMVYTGNK-QRVBRYPASA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC2CCC2)CC1 ZINC001049909420 1242656721 /nfs/dbraw/zinc/65/67/21/1242656721.db2.gz AXGQHWLZONKQLV-VQTJNVASSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909814 1242659126 /nfs/dbraw/zinc/65/91/26/1242659126.db2.gz CRHMILJRYRVYNN-WOJBJXKFSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050729770 1244232365 /nfs/dbraw/zinc/23/23/65/1244232365.db2.gz BJLYOIHFTUTVMP-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027610 1245706379 /nfs/dbraw/zinc/70/63/79/1245706379.db2.gz FKUAVYBORIJJST-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)O2 ZINC001053701399 1246678488 /nfs/dbraw/zinc/67/84/88/1246678488.db2.gz USYUYMYWUMPVJN-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419496 1247237131 /nfs/dbraw/zinc/23/71/31/1247237131.db2.gz NRBVWLXAUSMIIK-INIZCTEOSA-N 2 0 333.501 2.417 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001101039331 1259602002 /nfs/dbraw/zinc/60/20/02/1259602002.db2.gz HGWXQDKUMPYGOF-UHFFFAOYSA-N 2 0 346.450 2.022 20 30 EEEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299555 1278316710 /nfs/dbraw/zinc/31/67/10/1278316710.db2.gz XZOYJANLRTVGCW-CABCVRRESA-N 2 0 337.464 2.030 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185411678 1278642159 /nfs/dbraw/zinc/64/21/59/1278642159.db2.gz KUSLWHPUAURFHD-MJGOQNOKSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001185706319 1278746105 /nfs/dbraw/zinc/74/61/05/1278746105.db2.gz MBLGIFOUQKRWIO-LJQANCHMSA-N 2 0 329.488 2.318 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644719 1280992268 /nfs/dbraw/zinc/99/22/68/1280992268.db2.gz KQYNBKMDVDPKGY-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCCCC)CC2)CC1 ZINC001198236693 1285048529 /nfs/dbraw/zinc/04/85/29/1285048529.db2.gz UYUVQYBRYXFRIK-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766581 1285350588 /nfs/dbraw/zinc/35/05/88/1285350588.db2.gz CRCSJZIMXCHOMA-WMZOPIPTSA-N 2 0 333.476 2.214 20 30 EEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885345 1285411579 /nfs/dbraw/zinc/41/15/79/1285411579.db2.gz FHCMPZRAFPSHRO-IEBWSBKVSA-N 2 0 345.487 2.052 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391123 1289556768 /nfs/dbraw/zinc/55/67/68/1289556768.db2.gz XVGULKULZAZORA-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974136 1295057527 /nfs/dbraw/zinc/05/75/27/1295057527.db2.gz KYUDSRPIBKWNGY-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095256 1295236316 /nfs/dbraw/zinc/23/63/16/1295236316.db2.gz GXDHCWNOPNLAFE-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001211233350 1295771755 /nfs/dbraw/zinc/77/17/55/1295771755.db2.gz CAXBMMMVBDKYHL-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738033 1296084284 /nfs/dbraw/zinc/08/42/84/1296084284.db2.gz CDVODAJDYNDLSO-GOSISDBHSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114355161 1296426427 /nfs/dbraw/zinc/42/64/27/1296426427.db2.gz GZEKWRINBPZKII-ZSHCYNCHSA-N 2 0 333.501 2.436 20 30 EEEDRP C[C@H]1CC[NH2+][C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001220643785 1298488328 /nfs/dbraw/zinc/48/83/28/1298488328.db2.gz SRGLXDHFNREAJI-WMZOPIPTSA-N 2 0 340.471 2.049 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099556392 1299219447 /nfs/dbraw/zinc/21/94/47/1299219447.db2.gz KCNLELXEBXRAML-YVSFHVDLSA-N 2 0 339.911 2.248 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001223578411 1300180163 /nfs/dbraw/zinc/18/01/63/1300180163.db2.gz WPRTZZPEPCRZLX-RBUKOAKNSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCCC)[C@H]3C2)CC1 ZINC001224228207 1300498015 /nfs/dbraw/zinc/49/80/15/1300498015.db2.gz WZWDPFPRFPHODG-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001224253489 1300511137 /nfs/dbraw/zinc/51/11/37/1300511137.db2.gz KFXPXHMWCVNSAE-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001228032824 1302064526 /nfs/dbraw/zinc/06/45/26/1302064526.db2.gz MCPIAAIUDJEAMS-HZPDHXFCSA-N 2 0 330.476 2.381 20 30 EEEDRP C=CCC[N@@H+](CCCNC(=O)[C@H](C1CC1)[NH+](C)C)Cc1cccnc1 ZINC001230778633 1303451216 /nfs/dbraw/zinc/45/12/16/1303451216.db2.gz UTRIDYXISKVIQX-IBGZPJMESA-N 2 0 344.503 2.306 20 30 EEEDRP C=CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cccnc1 ZINC001230796813 1303463454 /nfs/dbraw/zinc/46/34/54/1303463454.db2.gz OFNSLNFPUMOBDV-UHFFFAOYSA-N 2 0 342.487 2.204 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347041 1309988366 /nfs/dbraw/zinc/98/83/66/1309988366.db2.gz DODMJUKXZSJRPI-WZXTXQKWSA-N 2 0 331.504 2.147 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246314649 1310279178 /nfs/dbraw/zinc/27/91/78/1310279178.db2.gz YCZHXWMKJZSRMI-INMHGKMJSA-N 2 0 325.497 2.112 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2ccc(F)cc2)CCN1 ZINC001246444338 1310312641 /nfs/dbraw/zinc/31/26/41/1310312641.db2.gz KKQMIWZJKCPFCF-GBESFXJTSA-N 2 0 330.451 2.490 20 30 EEEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001150580739 1316305779 /nfs/dbraw/zinc/30/57/79/1316305779.db2.gz ZIMRHUCWNSZGKI-MOPGFXCFSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150780054 1316371871 /nfs/dbraw/zinc/37/18/71/1316371871.db2.gz YOCRUIGZYUYYBP-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001151302930 1316499819 /nfs/dbraw/zinc/49/98/19/1316499819.db2.gz RGZBLGKGFRMLIR-QGZVFWFLSA-N 2 0 339.524 2.280 20 30 EEEDRP N#Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001254052561 1317992476 /nfs/dbraw/zinc/99/24/76/1317992476.db2.gz OKODACIUNOKLHM-UHFFFAOYSA-N 2 0 336.439 2.070 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118248 1318420185 /nfs/dbraw/zinc/42/01/85/1318420185.db2.gz AHSLJJNQNVRQJX-QZTJIDSGSA-N 2 0 339.524 2.136 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001157887403 1318918136 /nfs/dbraw/zinc/91/81/36/1318918136.db2.gz VAILRDGTKSRYSC-GOSISDBHSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC001257070733 1318934905 /nfs/dbraw/zinc/93/49/05/1318934905.db2.gz OLADGHSOORXKPU-MOPGFXCFSA-N 2 0 349.519 2.010 20 30 EEEDRP Cc1ccc(CC#N)c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)n1 ZINC001158589479 1319323272 /nfs/dbraw/zinc/32/32/72/1319323272.db2.gz SFQAJVYZOPUGRM-UHFFFAOYSA-N 2 0 327.476 2.109 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001159329159 1319741939 /nfs/dbraw/zinc/74/19/39/1319741939.db2.gz ZXBQNGJNMIQLHP-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC001166744369 1321779627 /nfs/dbraw/zinc/77/96/27/1321779627.db2.gz SSTYZUNDZWKLBO-UHFFFAOYSA-N 2 0 348.466 2.271 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770205 1321957356 /nfs/dbraw/zinc/95/73/56/1321957356.db2.gz FEIKVMNIDWMKIN-ROUUACIJSA-N 2 0 349.519 2.082 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205290592 1322344375 /nfs/dbraw/zinc/34/43/75/1322344375.db2.gz LOKMSQUJKRJRIW-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001206307290 1323451834 /nfs/dbraw/zinc/45/18/34/1323451834.db2.gz DUVSZJRGSQZSFE-UHFFFAOYSA-N 2 0 329.488 2.175 20 30 EEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207479077 1323987673 /nfs/dbraw/zinc/98/76/73/1323987673.db2.gz CUKHWZFQQJGJCH-UHFFFAOYSA-N 2 0 335.492 2.439 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001491675038 1330222214 /nfs/dbraw/zinc/22/22/14/1330222214.db2.gz OMDNFRCKSREYEC-OAHLLOKOSA-N 2 0 348.516 2.480 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200795623 1338625911 /nfs/dbraw/zinc/62/59/11/1338625911.db2.gz LXBZIJISKJEOCE-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(CCC[NH3+])cc2)CC1 ZINC001574835672 1343706334 /nfs/dbraw/zinc/70/63/34/1343706334.db2.gz DOSPWZXUPMOTCZ-UHFFFAOYSA-N 2 0 345.487 2.113 20 30 EEEDRP C[N@H+](CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)C1CCC1 ZINC001201065963 1368775495 /nfs/dbraw/zinc/77/54/95/1368775495.db2.gz DBEMWSZWMVVEJQ-UHFFFAOYSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001115116452 1371526753 /nfs/dbraw/zinc/52/67/53/1371526753.db2.gz MSXNIXVZQZPOJU-MANSERQUSA-N 2 0 327.472 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(C)C)CCCCC2)CC1 ZINC001120197001 1371813522 /nfs/dbraw/zinc/81/35/22/1371813522.db2.gz RGGBOYQAQLHIDG-UHFFFAOYSA-N 2 0 333.520 2.396 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000838586910 1372853250 /nfs/dbraw/zinc/85/32/50/1372853250.db2.gz JEFJFCPINWBBNU-HKUYNNGSSA-N 2 0 344.503 2.241 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001368474201 1374416517 /nfs/dbraw/zinc/41/65/17/1374416517.db2.gz FRESLVKXNXUSLW-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001390055163 1388421628 /nfs/dbraw/zinc/42/16/28/1388421628.db2.gz DJMNDYCNKJQHBY-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001376686659 1378678422 /nfs/dbraw/zinc/67/84/22/1378678422.db2.gz QJVSLAQVUXTIGN-CQSZACIVSA-N 2 0 346.313 2.208 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001377452399 1379252025 /nfs/dbraw/zinc/25/20/25/1379252025.db2.gz OJFHQCJGXJYSDJ-ZDUSSCGKSA-N 2 0 334.489 2.088 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001379119425 1380541370 /nfs/dbraw/zinc/54/13/70/1380541370.db2.gz UKCYAHRMXAQHEK-SFHVURJKSA-N 2 0 348.466 2.174 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001391352837 1389302172 /nfs/dbraw/zinc/30/21/72/1389302172.db2.gz JHDHSOYGTHDNMP-LJQANCHMSA-N 2 0 342.487 2.180 20 30 EEEDRP C=C(Br)C[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001391777249 1389592307 /nfs/dbraw/zinc/59/23/07/1389592307.db2.gz XUZHMKNTFJNAJH-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)C)[NH+](C)C ZINC001392247611 1389925089 /nfs/dbraw/zinc/92/50/89/1389925089.db2.gz OYUQHZRUCZAQGK-MSOLQXFVSA-N 2 0 348.466 2.268 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001392769764 1390190197 /nfs/dbraw/zinc/19/01/97/1390190197.db2.gz ZQBRJDQVWMHXDY-GOSISDBHSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccccc1C#N ZINC001400846198 1396652290 /nfs/dbraw/zinc/65/22/90/1396652290.db2.gz DJHHAHKAFFEHOM-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001402188764 1397829211 /nfs/dbraw/zinc/82/92/11/1397829211.db2.gz GNLKQUJKZGJELI-ICSRJNTNSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001423019757 1400358006 /nfs/dbraw/zinc/35/80/06/1400358006.db2.gz VERMSTHEXAFUHR-INIZCTEOSA-N 2 0 345.834 2.118 20 30 EEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001755427780 1407444105 /nfs/dbraw/zinc/44/41/05/1407444105.db2.gz JYJIPGUIZSDYIT-CADBVGFASA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]21 ZINC001755708361 1407761672 /nfs/dbraw/zinc/76/16/72/1407761672.db2.gz LWKRFMXIDOVWID-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP C[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC001167609760 760726126 /nfs/dbraw/zinc/72/61/26/760726126.db2.gz PTCWLZQEMSWEFN-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087305952 761553481 /nfs/dbraw/zinc/55/34/81/761553481.db2.gz AZDWOFABIGMJRW-HOJAQTOUSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087313902 761597223 /nfs/dbraw/zinc/59/72/23/761597223.db2.gz BQHFFKPYFABCNM-BRWVUGGUSA-N 2 0 331.504 2.264 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100956 769711203 /nfs/dbraw/zinc/71/12/03/769711203.db2.gz ROUOKBKGCMNRKU-KFWWJZLASA-N 2 0 347.425 2.414 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001112529929 770345717 /nfs/dbraw/zinc/34/57/17/770345717.db2.gz VWHLKCMIBRWXNP-HFTRVMKXSA-N 2 0 339.911 2.299 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560503 770357212 /nfs/dbraw/zinc/35/72/12/770357212.db2.gz ZMXMRCALBBWCLG-CABCVRRESA-N 2 0 327.900 2.297 20 30 EEEDRP C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000995260548 782893702 /nfs/dbraw/zinc/89/37/02/782893702.db2.gz RQJNFAADRIWNDH-RBUKOAKNSA-N 2 0 342.487 2.012 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106909719 774757440 /nfs/dbraw/zinc/75/74/40/774757440.db2.gz KZMKKNVPOLFUAG-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997587555 790357620 /nfs/dbraw/zinc/35/76/20/790357620.db2.gz VEUGRXWVHQONHV-PKOBYXMFSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C[NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC000980816694 775707465 /nfs/dbraw/zinc/70/74/65/775707465.db2.gz UPJBGRWUPCXYGL-MJGOQNOKSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089820829 776963616 /nfs/dbraw/zinc/96/36/16/776963616.db2.gz PBULAVMPDSUIBY-XSLAGTTESA-N 2 0 331.504 2.216 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000981528621 777592198 /nfs/dbraw/zinc/59/21/98/777592198.db2.gz SYEYKCCPXVZPEF-LSDHHAIUSA-N 2 0 346.500 2.233 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982321292 779714398 /nfs/dbraw/zinc/71/43/98/779714398.db2.gz JEWJEBAEHLCKES-OYRHEFFESA-N 2 0 345.531 2.443 20 30 EEEDRP CC(C)[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CC[NH+](C)CC1 ZINC000236680469 779849696 /nfs/dbraw/zinc/84/96/96/779849696.db2.gz VVLYRKVKASYOJJ-XLIONFOSSA-N 2 0 344.503 2.339 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997726321 790884246 /nfs/dbraw/zinc/88/42/46/790884246.db2.gz QMRXNSYKCSUNPC-PKOBYXMFSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101080 781723482 /nfs/dbraw/zinc/72/34/82/781723482.db2.gz QIHCBDREBJYNTF-GOEBONIOSA-N 2 0 333.501 2.273 20 30 EEEDRP N#Cc1ccccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995210892 781883610 /nfs/dbraw/zinc/88/36/10/781883610.db2.gz MDXJHESVOUBODC-APWZRJJASA-N 2 0 340.471 2.029 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135314633 783597318 /nfs/dbraw/zinc/59/73/18/783597318.db2.gz DSSYGOKZKRTYFX-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035188604 784069229 /nfs/dbraw/zinc/06/92/29/784069229.db2.gz GNGIHJIPUPVSCO-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784564 784467749 /nfs/dbraw/zinc/46/77/49/784467749.db2.gz BNUFBOSLEVIEKY-SCTDSRPQSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911752551 787689276 /nfs/dbraw/zinc/68/92/76/787689276.db2.gz WHWQXOOAUHJNOZ-GOEBONIOSA-N 2 0 345.443 2.218 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501990 789144161 /nfs/dbraw/zinc/14/41/61/789144161.db2.gz JOPAFVDMNHBYPK-AZUAARDMSA-N 2 0 336.439 2.393 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000923382856 789465878 /nfs/dbraw/zinc/46/58/78/789465878.db2.gz SHYPCYAOPITLMQ-GVDBMIGSSA-N 2 0 334.460 2.023 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923390233 789477030 /nfs/dbraw/zinc/47/70/30/789477030.db2.gz URKHVGISFUERLB-OALUTQOASA-N 2 0 343.471 2.010 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)CC1 ZINC000997365044 789736915 /nfs/dbraw/zinc/73/69/15/789736915.db2.gz QIRHGXVMYNEELP-UHFFFAOYSA-N 2 0 343.515 2.413 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001146341422 791214252 /nfs/dbraw/zinc/21/42/52/791214252.db2.gz YBSMPOCBXRQFTL-CABCVRRESA-N 2 0 346.450 2.166 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001147825793 791984880 /nfs/dbraw/zinc/98/48/80/791984880.db2.gz RUJYSFASNAHLGG-NVXWUHKLSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC3CC(C)C3)CC2)CC1 ZINC000998286655 792467889 /nfs/dbraw/zinc/46/78/89/792467889.db2.gz KYENBRZIVAMHGI-UHFFFAOYSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918765 806196470 /nfs/dbraw/zinc/19/64/70/806196470.db2.gz YOQTWRBCDAJGRG-QYZOEREBSA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816844 794378168 /nfs/dbraw/zinc/37/81/68/794378168.db2.gz IWTYOCCAQOLPLI-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999405208 794419324 /nfs/dbraw/zinc/41/93/24/794419324.db2.gz CZYJTRJYVYUHIC-WLYUNCDWSA-N 2 0 346.500 2.183 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198859 794445613 /nfs/dbraw/zinc/44/56/13/794445613.db2.gz VXTHNJVYKROSOS-ZYSHUDEJSA-N 2 0 345.462 2.380 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001079739854 795155492 /nfs/dbraw/zinc/15/54/92/795155492.db2.gz LQEMWZFTGBGAEF-NVXWUHKLSA-N 2 0 330.476 2.165 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001093399874 795177570 /nfs/dbraw/zinc/17/75/70/795177570.db2.gz UBVRCJSGMSIYJS-QPIRBTGLSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842385 795425474 /nfs/dbraw/zinc/42/54/74/795425474.db2.gz OHIDPLZBSFSVIA-RBUKOAKNSA-N 2 0 327.472 2.471 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106582149 795881847 /nfs/dbraw/zinc/88/18/47/795881847.db2.gz VIGDKHJJHOEZOO-SYAUCNOPSA-N 2 0 327.900 2.153 20 30 EEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094496544 796289209 /nfs/dbraw/zinc/28/92/09/796289209.db2.gz ALJXMXDZOYTLJB-NLWGTHIKSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCC2)CC1 ZINC001032800549 796416324 /nfs/dbraw/zinc/41/63/24/796416324.db2.gz MRYNDENITZHXOU-PMACEKPBSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCC)C2)CC1 ZINC001036901966 796438598 /nfs/dbraw/zinc/43/85/98/796438598.db2.gz BLXLKPHQYMFQGW-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106840615 797233644 /nfs/dbraw/zinc/23/36/44/797233644.db2.gz XCPYPLFLZIMLPF-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC001002144445 797622373 /nfs/dbraw/zinc/62/23/73/797622373.db2.gz GFCQUNKDPCEVRN-UHFFFAOYSA-N 2 0 345.531 2.206 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC[NH+](C)C ZINC001175049336 797978481 /nfs/dbraw/zinc/97/84/81/797978481.db2.gz TYFBNAHTFOADDT-OAHLLOKOSA-N 2 0 348.466 2.414 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175115304 797986663 /nfs/dbraw/zinc/98/66/63/797986663.db2.gz NCZDWGLZLHHTJG-DLBZAZTESA-N 2 0 327.513 2.040 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)CC1 ZINC001176737982 798542907 /nfs/dbraw/zinc/54/29/07/798542907.db2.gz OJPOCSQEBHPVKP-VGZDNEPHSA-N 2 0 339.911 2.349 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176844598 798617945 /nfs/dbraw/zinc/61/79/45/798617945.db2.gz LSEDYJARVCTVHM-ROUUACIJSA-N 2 0 327.472 2.007 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001176997054 798686010 /nfs/dbraw/zinc/68/60/10/798686010.db2.gz HDKJWKXYXDUJBU-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178536049 799513132 /nfs/dbraw/zinc/51/31/32/799513132.db2.gz OKFMDIQHZWRHQK-QZTJIDSGSA-N 2 0 337.508 2.082 20 30 EEEDRP C[NH+]=C(NC[C@H](OC)c1ccc(F)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262813286 799958999 /nfs/dbraw/zinc/95/89/99/799958999.db2.gz VXJLKKBBWZMNQE-MSOLQXFVSA-N 2 0 346.450 2.035 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001179593200 799999467 /nfs/dbraw/zinc/99/94/67/799999467.db2.gz ZPRVHFDSIUGKQO-UHFFFAOYSA-N 2 0 329.488 2.060 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001179856647 800133274 /nfs/dbraw/zinc/13/32/74/800133274.db2.gz FHZRANIWBZFCRP-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179856641 800133426 /nfs/dbraw/zinc/13/34/26/800133426.db2.gz FEMHGRNVFMCMDU-BBRMVZONSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCC2)CC1 ZINC001085987334 801842001 /nfs/dbraw/zinc/84/20/01/801842001.db2.gz ZVWKCURIKSJSHC-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004479479 802183631 /nfs/dbraw/zinc/18/36/31/802183631.db2.gz FXKPHKVGEKUAPD-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623876 802291584 /nfs/dbraw/zinc/29/15/84/802291584.db2.gz RTFPMAAPSYQNMD-BBWFWOEESA-N 2 0 339.911 2.250 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001185072716 802336467 /nfs/dbraw/zinc/33/64/67/802336467.db2.gz JOFZAOJTCHDZHH-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086197635 802478037 /nfs/dbraw/zinc/47/80/37/802478037.db2.gz SRWNZSJBZZDFSV-IZAXUBKRSA-N 2 0 329.488 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004622742 802484065 /nfs/dbraw/zinc/48/40/65/802484065.db2.gz YXIBFTZNBHZKGM-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657473 802679461 /nfs/dbraw/zinc/67/94/61/802679461.db2.gz MROGGMPCNNQNKG-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082704 802957815 /nfs/dbraw/zinc/95/78/15/802957815.db2.gz HATNCVUIWMADSH-MSOLQXFVSA-N 2 0 341.540 2.240 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808718 804084531 /nfs/dbraw/zinc/08/45/31/804084531.db2.gz DHAQLQQFWXXCNM-LPHOPBHVSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733484 804419109 /nfs/dbraw/zinc/41/91/09/804419109.db2.gz QRUPKJNSMSDZQE-BZSNNMDCSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001108780541 804502260 /nfs/dbraw/zinc/50/22/60/804502260.db2.gz FUJPKPIBLLQPQP-FHWLQOOXSA-N 2 0 333.520 2.491 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129417382 810832075 /nfs/dbraw/zinc/83/20/75/810832075.db2.gz MSUHGNPPHXRZQN-AWEZNQCLSA-N 2 0 334.489 2.088 20 30 EEEDRP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001499994898 1112571040 /nfs/dbraw/zinc/57/10/40/1112571040.db2.gz VWCRRXFYUWHHPH-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001521463794 1119252176 /nfs/dbraw/zinc/25/21/76/1119252176.db2.gz OAGFREGWOCJOBA-MRXNPFEDSA-N 2 0 332.448 2.199 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174264600 207003358 /nfs/dbraw/zinc/00/33/58/207003358.db2.gz ODVVKTMBMQVEEO-UHFFFAOYSA-N 2 0 338.455 2.449 20 30 EEEDRP Cc1oc(NC(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000247569448 160329383 /nfs/dbraw/zinc/32/93/83/160329383.db2.gz LHUCUYOWCOGRQK-LRDDRELGSA-N 2 0 341.415 2.486 20 30 EEEDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000339428269 465265002 /nfs/dbraw/zinc/26/50/02/465265002.db2.gz HCVHWABKDQAGAW-IBGZPJMESA-N 2 0 326.444 2.305 20 30 EEEDRP CC1(C#N)CCN(CC2(C[NH+]3CCC(C)(C#N)CC3)COC2)CC1 ZINC000329485641 465350431 /nfs/dbraw/zinc/35/04/31/465350431.db2.gz XCWSUPITNBMNOH-UHFFFAOYSA-N 2 0 330.476 2.254 20 30 EEEDRP C#CCC[NH+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298361050 465374982 /nfs/dbraw/zinc/37/49/82/465374982.db2.gz TYIFZRWOOCNZPA-UHFFFAOYSA-N 2 0 325.412 2.397 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000066922043 462946490 /nfs/dbraw/zinc/94/64/90/462946490.db2.gz NMLQPSTUHBZNHF-PXNSSMCTSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120882595 463049407 /nfs/dbraw/zinc/04/94/07/463049407.db2.gz CYTKTSMDARBKJR-MSOLQXFVSA-N 2 0 329.488 2.233 20 30 EEEDRP C[C@H]1C[NH+](Cc2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C[C@H](C)O1 ZINC000262006627 463924826 /nfs/dbraw/zinc/92/48/26/463924826.db2.gz RTUDGRBTEGHHLM-HOTGVXAUSA-N 2 0 332.492 2.275 20 30 EEEDRP C=C(C)COc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1OC ZINC000237127658 464270106 /nfs/dbraw/zinc/27/01/06/464270106.db2.gz JOIVNBRLHGVKRK-UHFFFAOYSA-N 2 0 347.503 2.377 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CC1 ZINC000264162847 464288163 /nfs/dbraw/zinc/28/81/63/464288163.db2.gz BPXYFZPJPMXAFC-HNNXBMFYSA-N 2 0 330.476 2.115 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(CNC(=[NH2+])N[C@@H](C)CC)c1 ZINC000274157141 464735692 /nfs/dbraw/zinc/73/56/92/464735692.db2.gz DSSUWHXTHZIVTE-OKILXGFUSA-N 2 0 332.496 2.092 20 30 EEEDRP O=C(NCc1cccc(-n2ccnc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329486564 465349787 /nfs/dbraw/zinc/34/97/87/465349787.db2.gz XNJDLWSWENLAGD-KRWDZBQOSA-N 2 0 325.416 2.066 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3C#N)CC2)CC1 ZINC000373257958 466745172 /nfs/dbraw/zinc/74/51/72/466745172.db2.gz WTEOAUIPJQQWKX-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000417063931 466768667 /nfs/dbraw/zinc/76/86/67/466768667.db2.gz OFIVDTBEQCKVRE-RCCFBDPRSA-N 2 0 336.524 2.311 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)C(C)C ZINC000417073435 466771387 /nfs/dbraw/zinc/77/13/87/466771387.db2.gz XVQOBEURIXSZLU-ZWKOTPCHSA-N 2 0 336.524 2.326 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000424156258 466991827 /nfs/dbraw/zinc/99/18/27/466991827.db2.gz OFHLBTYFLVRWHQ-ZBFHGGJFSA-N 2 0 334.489 2.097 20 30 EEEDRP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(C)(C)C[NH+](C)C ZINC000582840734 468603989 /nfs/dbraw/zinc/60/39/89/468603989.db2.gz IZDHVIHVSAUNOO-NVXWUHKLSA-N 2 0 333.476 2.058 20 30 EEEDRP C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000610813067 469078289 /nfs/dbraw/zinc/07/82/89/469078289.db2.gz YAYBKROUTJGFNS-INIZCTEOSA-N 2 0 330.476 2.266 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000113331401 527103911 /nfs/dbraw/zinc/10/39/11/527103911.db2.gz WPJQWYAPDWKFTJ-UHFFFAOYSA-N 2 0 341.499 2.347 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000764840543 577489261 /nfs/dbraw/zinc/48/92/61/577489261.db2.gz OISWZUMZXOXDLG-QGZVFWFLSA-N 2 0 329.488 2.375 20 30 EEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(OCC[NH+](C)C)cc1 ZINC000753938589 577796862 /nfs/dbraw/zinc/79/68/62/577796862.db2.gz KGCUJKVNYYSVJU-QZTJIDSGSA-N 2 0 343.475 2.211 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739783 676398107 /nfs/dbraw/zinc/39/81/07/676398107.db2.gz NDNUGGUZKVJMEK-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001022109319 676657869 /nfs/dbraw/zinc/65/78/69/676657869.db2.gz KYHWPZILOACCQX-UWWPHRKUSA-N 2 0 346.500 2.087 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022166354 676713634 /nfs/dbraw/zinc/71/36/34/676713634.db2.gz UQXWAZWIPIQTPF-OTWHNJEPSA-N 2 0 340.471 2.169 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331160 678553436 /nfs/dbraw/zinc/55/34/36/678553436.db2.gz INPZMKWLNVBPAG-QFBILLFUSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972419157 678713912 /nfs/dbraw/zinc/71/39/12/678713912.db2.gz BOXLPZFRSALPNW-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001023762027 679569008 /nfs/dbraw/zinc/56/90/08/679569008.db2.gz PFQDIRXNRPZLRH-ROUUACIJSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001024477118 679949881 /nfs/dbraw/zinc/94/98/81/679949881.db2.gz JCNSGKVBPMHFPI-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccon1 ZINC000261800459 681437318 /nfs/dbraw/zinc/43/73/18/681437318.db2.gz RJSQMZPTEXZKRG-HUUCEWRRSA-N 2 0 335.496 2.438 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982724894 682110701 /nfs/dbraw/zinc/11/07/01/682110701.db2.gz FYLRJLLBODTXTB-KVPLUYHFSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001025577137 683034369 /nfs/dbraw/zinc/03/43/69/683034369.db2.gz QHZPZDLFPQZQLU-HOTGVXAUSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC000992703026 683280998 /nfs/dbraw/zinc/28/09/98/683280998.db2.gz OMZGKNYSPYTWGS-HYVNUMGLSA-N 2 0 345.512 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000992706547 683286202 /nfs/dbraw/zinc/28/62/02/683286202.db2.gz FLMKYDWOCQXESK-ARFHVFGLSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000992858802 683608117 /nfs/dbraw/zinc/60/81/17/683608117.db2.gz NNTAMAJIKDMHAJ-OWCLPIDISA-N 2 0 337.895 2.051 20 30 EEEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1ccccc1Cl ZINC000262817324 688538564 /nfs/dbraw/zinc/53/85/64/688538564.db2.gz WDGXVTWUWDZHHU-UHFFFAOYSA-N 2 0 348.882 2.347 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989169685 691491119 /nfs/dbraw/zinc/49/11/19/691491119.db2.gz KQSBHLKDMRIASS-KBPBESRZSA-N 2 0 345.834 2.212 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCc3sccc3C2)C1 ZINC000989827020 692369927 /nfs/dbraw/zinc/36/99/27/692369927.db2.gz XDBNMVZGLSDCAB-GDBMZVCRSA-N 2 0 333.501 2.261 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000977652022 692880948 /nfs/dbraw/zinc/88/09/48/692880948.db2.gz HPIDHIPIOAXAJK-GOSISDBHSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990686124 693219263 /nfs/dbraw/zinc/21/92/63/693219263.db2.gz NMNVXBLERVDVGU-NLWGTHIKSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089892785 1193201578 /nfs/dbraw/zinc/20/15/78/1193201578.db2.gz LQRQAQUFSDZWOC-QAETUUGQSA-N 2 0 349.906 2.004 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088022 1193361609 /nfs/dbraw/zinc/36/16/09/1193361609.db2.gz ABCOSHMBAMUZDV-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001105439004 1187121277 /nfs/dbraw/zinc/12/12/77/1187121277.db2.gz VNEQBKVGSAKUOX-VELGLUOQSA-N 2 0 341.499 2.176 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105558651 1188175889 /nfs/dbraw/zinc/17/58/89/1188175889.db2.gz CMVUDNYKXBKPGB-QGZVFWFLSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105575010 1188189057 /nfs/dbraw/zinc/18/90/57/1188189057.db2.gz OVXYLSGBNFEMHW-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)CN2CCc3sccc3C2)CC1 ZINC001168297218 1188258697 /nfs/dbraw/zinc/25/86/97/1188258697.db2.gz JYNQYZOUDBFSGM-UHFFFAOYSA-N 2 0 345.512 2.006 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001486211350 1193751372 /nfs/dbraw/zinc/75/13/72/1193751372.db2.gz VPFOEAGREZSEHO-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818032 1194441686 /nfs/dbraw/zinc/44/16/86/1194441686.db2.gz AZTYANJDZHREPB-ZGXWSNOMSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)CC1 ZINC001005406875 1195408518 /nfs/dbraw/zinc/40/85/18/1195408518.db2.gz JEXWCJCLPGZNHE-SFHVURJKSA-N 2 0 345.491 2.289 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001034972176 1196928925 /nfs/dbraw/zinc/92/89/25/1196928925.db2.gz COWBWNLYPJQGQG-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)C1 ZINC001273144483 1197014817 /nfs/dbraw/zinc/01/48/17/1197014817.db2.gz QGNTZQFXHZXTEL-UYAOXDASSA-N 2 0 346.519 2.337 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132215319 1199441078 /nfs/dbraw/zinc/44/10/78/1199441078.db2.gz VTHIODRERZGNHQ-DLBZAZTESA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406639 1199664652 /nfs/dbraw/zinc/66/46/52/1199664652.db2.gz LYNMQKKEVCPBMI-DLBZAZTESA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613574 1199690396 /nfs/dbraw/zinc/69/03/96/1199690396.db2.gz WEVMYWCWRNKTBH-HZPDHXFCSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001134750291 1199791112 /nfs/dbraw/zinc/79/11/12/1199791112.db2.gz STXWYIYRYHEWBN-AWEZNQCLSA-N 2 0 334.489 2.090 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132932445 1200209824 /nfs/dbraw/zinc/20/98/24/1200209824.db2.gz JPUJFUPKTXOKSS-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165660 1200539530 /nfs/dbraw/zinc/53/95/30/1200539530.db2.gz KWKXKOPXTCMOHK-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338428 1200762490 /nfs/dbraw/zinc/76/24/90/1200762490.db2.gz VLXYWGQXNJFTLC-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP CC[C@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001133684154 1201183222 /nfs/dbraw/zinc/18/32/22/1201183222.db2.gz DSVAAGRLRGPAEF-GOSISDBHSA-N 2 0 333.451 2.003 20 30 EEEDRP C#CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000883131416 1202018197 /nfs/dbraw/zinc/01/81/97/1202018197.db2.gz AVFRQIRXKZBESR-UHFFFAOYSA-N 2 0 341.415 2.040 20 30 EEEDRP N#CCCCN1CC[C@]2(CCCN2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274266677 1204980554 /nfs/dbraw/zinc/98/05/54/1204980554.db2.gz ATOKKHDUOBBZLZ-LJQANCHMSA-N 2 0 337.427 2.434 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114739971 1215159285 /nfs/dbraw/zinc/15/92/85/1215159285.db2.gz YJGBQXMXDNEVOY-SIXLDLHFSA-N 2 0 331.460 2.356 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)s1 ZINC000960217732 1216430734 /nfs/dbraw/zinc/43/07/34/1216430734.db2.gz YMRIMHRRYILCGU-HNNXBMFYSA-N 2 0 346.500 2.186 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960880549 1216958053 /nfs/dbraw/zinc/95/80/53/1216958053.db2.gz KNUJSABPEAPJFQ-OALUTQOASA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961219760 1217094990 /nfs/dbraw/zinc/09/49/90/1217094990.db2.gz KEUGGVULIMHXLC-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379122 1217166135 /nfs/dbraw/zinc/16/61/35/1217166135.db2.gz QLUJPBRQDGSLHG-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000967499824 1220569431 /nfs/dbraw/zinc/56/94/31/1220569431.db2.gz REYUUNPOKORPQL-APWZRJJASA-N 2 0 336.439 2.336 20 30 EEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000968890537 1221649840 /nfs/dbraw/zinc/64/98/40/1221649840.db2.gz JYBKSSKDQIRKNP-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065297 1222600290 /nfs/dbraw/zinc/60/02/90/1222600290.db2.gz ZVIKFDGVCUQTAI-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008277737 1222731829 /nfs/dbraw/zinc/73/18/29/1222731829.db2.gz VXPSPNKQYJQEGS-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038502270 1229874851 /nfs/dbraw/zinc/87/48/51/1229874851.db2.gz MKYWYYXDPKTDLB-MRXNPFEDSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128133 1230336951 /nfs/dbraw/zinc/33/69/51/1230336951.db2.gz VGKWAUCWTVGLSF-DLBZAZTESA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233470 1230466680 /nfs/dbraw/zinc/46/66/80/1230466680.db2.gz BPLZBQQKULHYRJ-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234079 1230467375 /nfs/dbraw/zinc/46/73/75/1230467375.db2.gz IBZWWYQAOKHVEM-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001040393736 1231204695 /nfs/dbraw/zinc/20/46/95/1231204695.db2.gz DCCURYUAFKGHFU-WOJBJXKFSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430304 1231228112 /nfs/dbraw/zinc/22/81/12/1231228112.db2.gz AJCPDVVWCUQPKO-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542719 1231283882 /nfs/dbraw/zinc/28/38/82/1231283882.db2.gz CUPQBRMGNNBEKB-PZJWPPBQSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040745285 1231355270 /nfs/dbraw/zinc/35/52/70/1231355270.db2.gz KWXKIXWJTXPQIN-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357144 1231517955 /nfs/dbraw/zinc/51/79/55/1231517955.db2.gz FCMKUJHPXHMETG-PZJWPPBQSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432795 1231544668 /nfs/dbraw/zinc/54/46/68/1231544668.db2.gz SRAJXUGOTARQJL-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001045385858 1233711054 /nfs/dbraw/zinc/71/10/54/1233711054.db2.gz ZNPRLWBURVBADR-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942845 1234202121 /nfs/dbraw/zinc/20/21/21/1234202121.db2.gz BEIHJXMOMTVGCD-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001045973511 1234258455 /nfs/dbraw/zinc/25/84/55/1234258455.db2.gz SCQHXTDAPNCKNK-QFBILLFUSA-N 2 0 330.476 2.479 20 30 EEEDRP C[C@@H](C#N)OCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000801926413 1236447815 /nfs/dbraw/zinc/44/78/15/1236447815.db2.gz QAWHWSUPCWILLY-KRWDZBQOSA-N 2 0 336.524 2.043 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048069336 1237057447 /nfs/dbraw/zinc/05/74/47/1237057447.db2.gz PIPMAWUCNGAZAG-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001048529188 1237879402 /nfs/dbraw/zinc/87/94/02/1237879402.db2.gz IHTQOORPAPXBFK-XCDZQEORSA-N 2 0 331.504 2.099 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574623 1237999362 /nfs/dbraw/zinc/99/93/62/1237999362.db2.gz MAYKCYVWIZQDDI-FNLKRUPLSA-N 2 0 339.483 2.354 20 30 EEEDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793480 1238544019 /nfs/dbraw/zinc/54/40/19/1238544019.db2.gz ITZKOGBMSADMDV-MSOLQXFVSA-N 2 0 328.460 2.186 20 30 EEEDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793481 1238544132 /nfs/dbraw/zinc/54/41/32/1238544132.db2.gz ITZKOGBMSADMDV-QZTJIDSGSA-N 2 0 328.460 2.186 20 30 EEEDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000902793482 1238545092 /nfs/dbraw/zinc/54/50/92/1238545092.db2.gz ITZKOGBMSADMDV-ROUUACIJSA-N 2 0 328.460 2.186 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049013505 1239746609 /nfs/dbraw/zinc/74/66/09/1239746609.db2.gz RCBSNVVJZXOGPR-CALCHBBNSA-N 2 0 331.460 2.311 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107416 1240018481 /nfs/dbraw/zinc/01/84/81/1240018481.db2.gz ISEIGRYOWJZRHR-RDGPPVDQSA-N 2 0 331.504 2.360 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195682 1240050897 /nfs/dbraw/zinc/05/08/97/1240050897.db2.gz ZHQNANXYVOYUBT-GJZGRUSLSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514406 1241187920 /nfs/dbraw/zinc/18/79/20/1241187920.db2.gz DQQALFHRAYYBAH-GBESFXJTSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049519772 1241219774 /nfs/dbraw/zinc/21/97/74/1241219774.db2.gz AZFMTJKWCXTLST-XUVXKRRUSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526190 1241250446 /nfs/dbraw/zinc/25/04/46/1241250446.db2.gz UFTMYCQKYAMSNL-QRVBRYPASA-N 2 0 329.488 2.092 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561749 1241424262 /nfs/dbraw/zinc/42/42/62/1241424262.db2.gz QATOXWVWEOIXAL-RTBURBONSA-N 2 0 336.439 2.345 20 30 EEEDRP N#CC1(CCCC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742016 1241799261 /nfs/dbraw/zinc/79/92/61/1241799261.db2.gz ULQMEVBPDOFNRH-MSOLQXFVSA-N 2 0 346.519 2.431 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001050580934 1243884471 /nfs/dbraw/zinc/88/44/71/1243884471.db2.gz WGJIPYQKDZNFTP-UHFFFAOYSA-N 2 0 337.895 2.292 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC001050661818 1244070024 /nfs/dbraw/zinc/07/00/24/1244070024.db2.gz CUVJXRQIWLTAIF-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709783 1244803092 /nfs/dbraw/zinc/80/30/92/1244803092.db2.gz RVJRBNKGXLBTNO-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257626 1245582210 /nfs/dbraw/zinc/58/22/10/1245582210.db2.gz DHBHFPPBIPQKMF-NUJGCVRESA-N 2 0 325.472 2.023 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001053087558 1245867292 /nfs/dbraw/zinc/86/72/92/1245867292.db2.gz MFKGIFZTYPUTKK-WMZOPIPTSA-N 2 0 328.460 2.069 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001053106117 1245921791 /nfs/dbraw/zinc/92/17/91/1245921791.db2.gz SGYVWRXPEKUNOV-HKUYNNGSSA-N 2 0 342.487 2.377 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108717 1245928495 /nfs/dbraw/zinc/92/84/95/1245928495.db2.gz WDWRNCKRFJKQPZ-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001052254964 1246780799 /nfs/dbraw/zinc/78/07/99/1246780799.db2.gz SLFKBQUCTYAXES-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001054035292 1247188269 /nfs/dbraw/zinc/18/82/69/1247188269.db2.gz JCCNRGZQKNFZCB-OALUTQOASA-N 2 0 327.472 2.200 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC=C(C)C)C3)CC1 ZINC001099174444 1257994143 /nfs/dbraw/zinc/99/41/43/1257994143.db2.gz MSIDHXDHVJDYSX-FPOVZHCZSA-N 2 0 343.515 2.269 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353419 1258096257 /nfs/dbraw/zinc/09/62/57/1258096257.db2.gz BAOSAMUTSMXWHZ-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299556 1278316488 /nfs/dbraw/zinc/31/64/88/1278316488.db2.gz XZOYJANLRTVGCW-GJZGRUSLSA-N 2 0 337.464 2.030 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1c[nH]cn1 ZINC001134545434 1278001601 /nfs/dbraw/zinc/00/16/01/1278001601.db2.gz OTWBZJQZEFFSNO-GJZGRUSLSA-N 2 0 339.443 2.287 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312207 1284764693 /nfs/dbraw/zinc/76/46/93/1284764693.db2.gz AZOLKRYHLRPYRK-IBGZPJMESA-N 2 0 327.472 2.283 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312209 1284766278 /nfs/dbraw/zinc/76/62/78/1284766278.db2.gz AZOLKRYHLRPYRK-LJQANCHMSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1OC ZINC001198876344 1285407861 /nfs/dbraw/zinc/40/78/61/1285407861.db2.gz RNDJWZCZIHZVMC-KRWDZBQOSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1OC ZINC001198969208 1285450949 /nfs/dbraw/zinc/45/09/49/1285450949.db2.gz SOSKVGDAAOASAM-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000105441022 1286388832 /nfs/dbraw/zinc/38/88/32/1286388832.db2.gz OYSJDJYAQXSBQF-ROUUACIJSA-N 2 0 344.503 2.341 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896575 1294981302 /nfs/dbraw/zinc/98/13/02/1294981302.db2.gz GZULWXRERFFDEC-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215929968 1297017907 /nfs/dbraw/zinc/01/79/07/1297017907.db2.gz NRMKAFYZWRFSCN-VQIMIIECSA-N 2 0 345.487 2.001 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001216490821 1297190991 /nfs/dbraw/zinc/19/09/91/1297190991.db2.gz QEPHBBJTPDYSSF-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801628 1297544185 /nfs/dbraw/zinc/54/41/85/1297544185.db2.gz QBOQBEBWAQCKEL-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001218161981 1297587356 /nfs/dbraw/zinc/58/73/56/1297587356.db2.gz KEZIOSLZIWOWMZ-FGTMMUONSA-N 2 0 339.524 2.209 20 30 EEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1ccc(C#N)cn1 ZINC001219423020 1298012718 /nfs/dbraw/zinc/01/27/18/1298012718.db2.gz VBANMSZXEXIWLY-SFHVURJKSA-N 2 0 337.427 2.276 20 30 EEEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220664178 1298494196 /nfs/dbraw/zinc/49/41/96/1298494196.db2.gz YLLGITZBUGYLIK-RDJZCZTQSA-N 2 0 343.471 2.303 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099062234 1298844212 /nfs/dbraw/zinc/84/42/12/1298844212.db2.gz WKYICBXZPBZFIK-HBFSDRIKSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258017 1298988632 /nfs/dbraw/zinc/98/86/32/1298988632.db2.gz NJKULSUIYLKGJQ-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]21 ZINC001222921645 1299920862 /nfs/dbraw/zinc/92/08/62/1299920862.db2.gz IMQNDFBZXRWHDF-KONPQCLYSA-N 2 0 328.460 2.402 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001223258948 1300040526 /nfs/dbraw/zinc/04/05/26/1300040526.db2.gz KOWOMIACHIWERX-INIZCTEOSA-N 2 0 330.476 2.248 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015945 1300144026 /nfs/dbraw/zinc/14/40/26/1300144026.db2.gz WCDNARXUQDUQOF-YUELXQCFSA-N 2 0 333.879 2.103 20 30 EEEDRP C#CCCC[NH+]1CCC2(CC[C@@H](C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001276978011 1300633606 /nfs/dbraw/zinc/63/36/06/1300633606.db2.gz ILSAKFZKPIMLOK-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507464 1301161101 /nfs/dbraw/zinc/16/11/01/1301161101.db2.gz AYYVJOVZRHFZPP-DBXWQHBBSA-N 2 0 341.499 2.171 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316460 1301350432 /nfs/dbraw/zinc/35/04/32/1301350432.db2.gz RHGXDXCIXOCKNT-IAGOWNOFSA-N 2 0 347.507 2.042 20 30 EEEDRP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396746 1302905348 /nfs/dbraw/zinc/90/53/48/1302905348.db2.gz ICRMXFJHPUGETE-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001103437196 1302961277 /nfs/dbraw/zinc/96/12/77/1302961277.db2.gz NYVGXFLMPYGFFF-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C[NH+]1CCN(c2ccc(CN(CCC#N)C3CCCC3)cn2)CC1 ZINC001232363142 1304094885 /nfs/dbraw/zinc/09/48/85/1304094885.db2.gz DMDSOAFRISCTIF-UHFFFAOYSA-N 2 0 327.476 2.492 20 30 EEEDRP Cn1c[nH+]cc1N1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277765163 1304369107 /nfs/dbraw/zinc/36/91/07/1304369107.db2.gz BOWFMIUBSXEIOP-LJQANCHMSA-N 2 0 338.459 2.123 20 30 EEEDRP CCCCCCC/C=C/CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309460 1305558524 /nfs/dbraw/zinc/55/85/24/1305558524.db2.gz LAOFDKORBKVWAR-CMDGGOBGSA-N 2 0 326.529 2.019 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC001236434300 1305578428 /nfs/dbraw/zinc/57/84/28/1305578428.db2.gz QBISNCLOIWOGGF-UHFFFAOYSA-N 2 0 340.515 2.446 20 30 EEEDRP N#Cc1ccc(CC[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1 ZINC001278174735 1306173046 /nfs/dbraw/zinc/17/30/46/1306173046.db2.gz BMHPBRJXNGUBCM-UHFFFAOYSA-N 2 0 349.482 2.395 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246304297 1310276967 /nfs/dbraw/zinc/27/69/67/1310276967.db2.gz MEJLFEFIKYUISC-ULQDDVLXSA-N 2 0 325.497 2.114 20 30 EEEDRP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001122543195 1310326954 /nfs/dbraw/zinc/32/69/54/1310326954.db2.gz CIODGHUXKPRBET-SJORKVTESA-N 2 0 346.523 2.194 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001161248519 1320433859 /nfs/dbraw/zinc/43/38/59/1320433859.db2.gz AZMXNKLFWZCIFY-GOSISDBHSA-N 2 0 349.519 2.202 20 30 EEEDRP C[NH+](C)CCOc1ccc(CN2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001138768727 1314663653 /nfs/dbraw/zinc/66/36/53/1314663653.db2.gz CWUVPAKQLVMXOS-QGZVFWFLSA-N 2 0 332.469 2.401 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149863190 1316071800 /nfs/dbraw/zinc/07/18/00/1316071800.db2.gz YQLRFOIYEWAOCR-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150818047 1316384604 /nfs/dbraw/zinc/38/46/04/1316384604.db2.gz NFABLCBGQKARBG-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccccc2C#N)c1 ZINC001152237559 1316648977 /nfs/dbraw/zinc/64/89/77/1316648977.db2.gz POPACTVXAVXKHA-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154013241 1316936192 /nfs/dbraw/zinc/93/61/92/1316936192.db2.gz ZFBQLGVHOUFRAH-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001251993374 1317536727 /nfs/dbraw/zinc/53/67/27/1317536727.db2.gz NFCMJBDHIZJFGM-FQEVSTJZSA-N 2 0 329.488 2.012 20 30 EEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155313716 1317547342 /nfs/dbraw/zinc/54/73/42/1317547342.db2.gz FQVMCKSQXNTBNS-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252552646 1317634197 /nfs/dbraw/zinc/63/41/97/1317634197.db2.gz LDQACJASHKHNMY-FUHWJXTLSA-N 2 0 334.460 2.272 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@H](C(=O)OCC)C2)CC1 ZINC001257070735 1318935168 /nfs/dbraw/zinc/93/51/68/1318935168.db2.gz OLADGHSOORXKPU-RBUKOAKNSA-N 2 0 349.519 2.010 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC001158038138 1318980273 /nfs/dbraw/zinc/98/02/73/1318980273.db2.gz NHJWHECLTRWIAN-MOPGFXCFSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+]1CCC(N(c2ccc3c(C#N)c[nH]c3n2)C2CC[NH2+]CC2)CC1 ZINC001158580970 1319319818 /nfs/dbraw/zinc/31/98/18/1319319818.db2.gz LAKZSSDQTGAYIU-UHFFFAOYSA-N 2 0 338.459 2.087 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159328172 1319741305 /nfs/dbraw/zinc/74/13/05/1319741305.db2.gz QDUMBUCFCUGYRE-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001161248931 1320433554 /nfs/dbraw/zinc/43/35/54/1320433554.db2.gz SHGJDUIWQYKREB-GOSISDBHSA-N 2 0 349.519 2.202 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953293 1320692403 /nfs/dbraw/zinc/69/24/03/1320692403.db2.gz SBCSSGSJSLGNJE-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001162859965 1320977182 /nfs/dbraw/zinc/97/71/82/1320977182.db2.gz PVLIXFYQMPZEGZ-UHFFFAOYSA-N 2 0 346.434 2.242 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977707 1321003198 /nfs/dbraw/zinc/00/31/98/1321003198.db2.gz UKSBGWBMRRFTII-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001164449217 1321381588 /nfs/dbraw/zinc/38/15/88/1321381588.db2.gz DXVKOXHTZSSEBA-LJQANCHMSA-N 2 0 342.487 2.276 20 30 EEEDRP CC[C@H](C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001165728218 1321574335 /nfs/dbraw/zinc/57/43/35/1321574335.db2.gz NIYIGXCBCZHFML-LJQANCHMSA-N 2 0 341.499 2.254 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166380746 1321708977 /nfs/dbraw/zinc/70/89/77/1321708977.db2.gz IRURDGLZHXPBNC-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C#N)c1)[NH+](CC)CC ZINC001166425063 1321717196 /nfs/dbraw/zinc/71/71/96/1321717196.db2.gz NUHMSVOMOMZBPY-SFHVURJKSA-N 2 0 330.476 2.275 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F)CC(C)(C)C ZINC001166744102 1321779218 /nfs/dbraw/zinc/77/92/18/1321779218.db2.gz HNZGBIVUIDIZSS-UHFFFAOYSA-N 2 0 348.466 2.271 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1c1ccc(F)cc1 ZINC001205318608 1322350058 /nfs/dbraw/zinc/35/00/58/1322350058.db2.gz ILTADBYOOIIRME-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001205457871 1323145002 /nfs/dbraw/zinc/14/50/02/1323145002.db2.gz TULZNBGRUCSIQX-IBGZPJMESA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1c2c(cnc1-c1cccc(N3CC[NH2+]CC3)c1)C[NH2+]CCC2 ZINC001205880730 1323329991 /nfs/dbraw/zinc/32/99/91/1323329991.db2.gz DOBQVGLZINCMFB-UHFFFAOYSA-N 2 0 333.439 2.066 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206857846 1323634461 /nfs/dbraw/zinc/63/44/61/1323634461.db2.gz SVGQWQYYKQYIPQ-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP Cn1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001207105322 1323851174 /nfs/dbraw/zinc/85/11/74/1323851174.db2.gz UKWKCZLWZVPIPN-MOPGFXCFSA-N 2 0 335.455 2.246 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001341717737 1337296434 /nfs/dbraw/zinc/29/64/34/1337296434.db2.gz VSKFRAGITGQEOO-ROUUACIJSA-N 2 0 339.524 2.245 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001100618776 1338554738 /nfs/dbraw/zinc/55/47/38/1338554738.db2.gz YEYQPMBRSYYFLB-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098571211 1370983991 /nfs/dbraw/zinc/98/39/91/1370983991.db2.gz OCFACLTWTFFDAW-MSOLQXFVSA-N 2 0 349.519 2.129 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367830182 1374277933 /nfs/dbraw/zinc/27/79/33/1374277933.db2.gz HBRJNUQSFXWZMR-CRAIPNDOSA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001367874167 1374293641 /nfs/dbraw/zinc/29/36/41/1374293641.db2.gz PICGJQBYTXJQEP-KSSFIOAISA-N 2 0 348.466 2.220 20 30 EEEDRP CCCC[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001369058950 1374488137 /nfs/dbraw/zinc/48/81/37/1374488137.db2.gz RZGMGKBDAIRUBF-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001374853052 1377121985 /nfs/dbraw/zinc/12/19/85/1377121985.db2.gz MNKQZHYUKFZBGL-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414850 1379222329 /nfs/dbraw/zinc/22/23/29/1379222329.db2.gz NXRIZOQOSDPPFN-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001381121335 1381520912 /nfs/dbraw/zinc/52/09/12/1381520912.db2.gz DLGCDAFNXRMRDC-GOEBONIOSA-N 2 0 327.900 2.442 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001382306848 1382061094 /nfs/dbraw/zinc/06/10/94/1382061094.db2.gz COBFCSRNZMWSFP-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC001752247842 1406242150 /nfs/dbraw/zinc/24/21/50/1406242150.db2.gz UXJJMXKEKFJDFS-IBGZPJMESA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001391731857 1389553295 /nfs/dbraw/zinc/55/32/95/1389553295.db2.gz UGZIEXFDWXYVAO-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392077599 1389800070 /nfs/dbraw/zinc/80/00/70/1389800070.db2.gz NUMHXIAKLZLDRM-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001752855417 1406490968 /nfs/dbraw/zinc/49/09/68/1406490968.db2.gz WIPGKVKFGLGGDX-IVMQYODDSA-N 2 0 333.520 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001753074359 1406665531 /nfs/dbraw/zinc/66/55/31/1406665531.db2.gz ISHJTASQOOVHTR-MRXNPFEDSA-N 2 0 345.462 2.280 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001401153834 1396990612 /nfs/dbraw/zinc/99/06/12/1396990612.db2.gz MMHBJCGPFNREDU-LPHOPBHVSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001754638581 1406937595 /nfs/dbraw/zinc/93/75/95/1406937595.db2.gz CYNDDZMRVOOALU-MJGOQNOKSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1 ZINC001755096563 1407109672 /nfs/dbraw/zinc/10/96/72/1407109672.db2.gz ZWFATQMEUKDNCX-QGZVFWFLSA-N 2 0 349.519 2.082 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001755116335 1407126594 /nfs/dbraw/zinc/12/65/94/1407126594.db2.gz LVJMYFOQDRNIQE-APWZRJJASA-N 2 0 329.488 2.417 20 30 EEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755185052 1407189778 /nfs/dbraw/zinc/18/97/78/1407189778.db2.gz UDPOMYORJKXXBE-HDICACEKSA-N 2 0 333.520 2.443 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001426241155 1401983967 /nfs/dbraw/zinc/98/39/67/1401983967.db2.gz UYIIGKVLGQFOGZ-KVULBXGLSA-N 2 0 348.516 2.285 20 30 EEEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001755285748 1407293370 /nfs/dbraw/zinc/29/33/70/1407293370.db2.gz ODJIBKXQKDDHGE-UHFFFAOYSA-N 2 0 329.488 2.112 20 30 EEEDRP C#CCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001574660344 1403524869 /nfs/dbraw/zinc/52/48/69/1403524869.db2.gz OUGHGXRXXIICMU-IRXDYDNUSA-N 2 0 344.507 2.037 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001574908838 1403528948 /nfs/dbraw/zinc/52/89/48/1403528948.db2.gz XYNSDSDGZDGVJC-SFHVURJKSA-N 2 0 331.460 2.265 20 30 EEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001755573454 1407644124 /nfs/dbraw/zinc/64/41/24/1407644124.db2.gz REXDYYRKWYDJQE-OALUTQOASA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001755834778 1407883843 /nfs/dbraw/zinc/88/38/43/1407883843.db2.gz KXWFCLFDNHKMSD-QGZVFWFLSA-N 2 0 339.524 2.184 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001772051602 1410026874 /nfs/dbraw/zinc/02/68/74/1410026874.db2.gz QZAZQMHHICPAQW-ZWKOTPCHSA-N 2 0 345.487 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](F)CC)[C@@H]2CC)CC1 ZINC001087840378 782348778 /nfs/dbraw/zinc/34/87/78/782348778.db2.gz VMEUNFBGZUMDNB-OKZBNKHCSA-N 2 0 337.483 2.049 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425845 758350017 /nfs/dbraw/zinc/35/00/17/758350017.db2.gz LSPRTSONZCWCHS-QZTJIDSGSA-N 2 0 349.519 2.082 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449444 760423908 /nfs/dbraw/zinc/42/39/08/760423908.db2.gz JDXUUYGPSHRAIF-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461826 760942064 /nfs/dbraw/zinc/94/20/64/760942064.db2.gz SCSHJHNETNQGDS-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP CC[NH+]=C(NCC1(O)CCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262810501 769558554 /nfs/dbraw/zinc/55/85/54/769558554.db2.gz VBSNXNAAEFEJHT-UHFFFAOYSA-N 2 0 336.524 2.254 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=S)NC1CC[NH+](C)CC1)C(C)C ZINC000920308493 770663222 /nfs/dbraw/zinc/66/32/22/770663222.db2.gz UQIHUNQLPQSPNX-QGZVFWFLSA-N 2 0 338.565 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)[C@@H](C)C2)CC1 ZINC000948069223 770982175 /nfs/dbraw/zinc/98/21/75/770982175.db2.gz DMINGSABINYWAF-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070901 773473265 /nfs/dbraw/zinc/47/32/65/773473265.db2.gz SZWCLPDMZJDFMU-FXAWDEMLSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980151542 773958705 /nfs/dbraw/zinc/95/87/05/773958705.db2.gz CYELDJFRWLLEDN-CGTJXYLNSA-N 2 0 343.471 2.195 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040912549 777330665 /nfs/dbraw/zinc/33/06/65/777330665.db2.gz QHGRDQLSMCYHFD-MRXNPFEDSA-N 2 0 339.911 2.395 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089858449 778465624 /nfs/dbraw/zinc/46/56/24/778465624.db2.gz AVOBTIRLTHXTIR-RDGPPVDQSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001087437429 778815678 /nfs/dbraw/zinc/81/56/78/778815678.db2.gz RDXJACKLWMZETB-MISYRCLQSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707155 779205995 /nfs/dbraw/zinc/20/59/95/779205995.db2.gz DLXZXETUPFIARJ-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000178566631 779411078 /nfs/dbraw/zinc/41/10/78/779411078.db2.gz GZLIYOJAHUTYAK-UHFFFAOYSA-N 2 0 332.370 2.378 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283283 779531550 /nfs/dbraw/zinc/53/15/50/779531550.db2.gz QEQJAJWOCNWTEX-LFGUQSLTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982299371 779625086 /nfs/dbraw/zinc/62/50/86/779625086.db2.gz DVGSZLUKIGLIAC-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149397447 790807205 /nfs/dbraw/zinc/80/72/05/790807205.db2.gz BTXWTZMPDHHRIH-ZWKOTPCHSA-N 2 0 339.524 2.258 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+](C)C ZINC001135317364 783600473 /nfs/dbraw/zinc/60/04/73/783600473.db2.gz YCSYLELKTWZYLL-HOTGVXAUSA-N 2 0 330.476 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001035131982 783864622 /nfs/dbraw/zinc/86/46/22/783864622.db2.gz VKWDCURZOUERAG-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000995919488 785818564 /nfs/dbraw/zinc/81/85/64/785818564.db2.gz CPAKXHHKZOPDQX-OALUTQOASA-N 2 0 343.515 2.411 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996387754 786342925 /nfs/dbraw/zinc/34/29/25/786342925.db2.gz ZPHMWOIYKNMGSU-OAHLLOKOSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036477209 786482719 /nfs/dbraw/zinc/48/27/19/786482719.db2.gz YEYNMSYPFOVZII-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991474945 789021757 /nfs/dbraw/zinc/02/17/57/789021757.db2.gz ROFDSONWANNFGE-ICSRJNTNSA-N 2 0 336.439 2.393 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997185155 789378325 /nfs/dbraw/zinc/37/83/25/789378325.db2.gz QRLDMBKOJZUVHZ-ZBFHGGJFSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941975 789560956 /nfs/dbraw/zinc/56/09/56/789560956.db2.gz PEEHEGKWVNAWBC-IEBWSBKVSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997396332 789890728 /nfs/dbraw/zinc/89/07/28/789890728.db2.gz RURDPBFXQCWOOU-OAHLLOKOSA-N 2 0 328.460 2.001 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610144 791373645 /nfs/dbraw/zinc/37/36/45/791373645.db2.gz HWPOWCISFURLDN-DLBZAZTESA-N 2 0 333.520 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000998195853 792200577 /nfs/dbraw/zinc/20/05/77/792200577.db2.gz IDMGTZWDUFROFO-LJQANCHMSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998278210 792439437 /nfs/dbraw/zinc/43/94/37/792439437.db2.gz RQOQNCOUOVWMMF-KBPBESRZSA-N 2 0 347.425 2.416 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089928659 792574892 /nfs/dbraw/zinc/57/48/92/792574892.db2.gz LLRYFQDNQYVBQX-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC001086882241 792892919 /nfs/dbraw/zinc/89/29/19/792892919.db2.gz IDIHYLVUZIYAAJ-PKOBYXMFSA-N 2 0 331.504 2.006 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939626 793027749 /nfs/dbraw/zinc/02/77/49/793027749.db2.gz VZQBNENXVMVDAQ-OTWHNJEPSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960278 793464205 /nfs/dbraw/zinc/46/42/05/793464205.db2.gz TYZUERYEDAVLRJ-APWZRJJASA-N 2 0 331.460 2.311 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](F)CC)CC2 ZINC001040731842 794286422 /nfs/dbraw/zinc/28/64/22/794286422.db2.gz QVOXBEWMIPGLSN-MSOLQXFVSA-N 2 0 349.494 2.147 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079295524 794566034 /nfs/dbraw/zinc/56/60/34/794566034.db2.gz LNNMKGRZWTWOQH-IIHSZXCVSA-N 2 0 345.462 2.236 20 30 EEEDRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999682141 794776014 /nfs/dbraw/zinc/77/60/14/794776014.db2.gz LOSHKVATHJFATD-NFOMZHRRSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999668190 794802400 /nfs/dbraw/zinc/80/24/00/794802400.db2.gz NJNGSNOWCFTFMX-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759376 794834135 /nfs/dbraw/zinc/83/41/35/794834135.db2.gz KZJSOHCMQDPUPH-HOTGVXAUSA-N 2 0 337.895 2.290 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759375 794834184 /nfs/dbraw/zinc/83/41/84/794834184.db2.gz KZJSOHCMQDPUPH-CVEARBPZSA-N 2 0 337.895 2.290 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794967 794950326 /nfs/dbraw/zinc/95/03/26/794950326.db2.gz WXPSBOURJDWSRI-JKSUJKDBSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093381092 795120628 /nfs/dbraw/zinc/12/06/28/795120628.db2.gz GOJCLIYYKHQTAC-FXAWDEMLSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCC1 ZINC001127317576 795361488 /nfs/dbraw/zinc/36/14/88/795361488.db2.gz RLIHGYGNSWRZST-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106346625 795429049 /nfs/dbraw/zinc/42/90/49/795429049.db2.gz LEGXIYMHMNEHIP-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924153 796812973 /nfs/dbraw/zinc/81/29/73/796812973.db2.gz MKZDPRCTGVEVEI-QGZVFWFLSA-N 2 0 329.488 2.302 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078725261 796884606 /nfs/dbraw/zinc/88/46/06/796884606.db2.gz MPPJPNOLFLAIQW-RBUKOAKNSA-N 2 0 339.483 2.055 20 30 EEEDRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972040 797176267 /nfs/dbraw/zinc/17/62/67/797176267.db2.gz VXOMEJQWQOIEIR-OAGGEKHMSA-N 2 0 336.480 2.352 20 30 EEEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172992814 797202596 /nfs/dbraw/zinc/20/25/96/797202596.db2.gz FVJALPSIBMZCRP-TWMKSMIVSA-N 2 0 348.491 2.162 20 30 EEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401549 798383579 /nfs/dbraw/zinc/38/35/79/798383579.db2.gz VFIODIKJKDABIX-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563773 798497574 /nfs/dbraw/zinc/49/75/74/798497574.db2.gz HGUCJLMSKIUAKW-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176601383 798516036 /nfs/dbraw/zinc/51/60/36/798516036.db2.gz TZHWDKXGIGHBQE-MSOLQXFVSA-N 2 0 339.524 2.186 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014119 798611011 /nfs/dbraw/zinc/61/10/11/798611011.db2.gz FBVPLSPKPLMHRT-QRVBRYPASA-N 2 0 331.504 2.055 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001178045256 799228726 /nfs/dbraw/zinc/22/87/26/799228726.db2.gz HLXNLIDZGYVTHC-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179591227 799997716 /nfs/dbraw/zinc/99/77/16/799997716.db2.gz QBICYVZRWZPWNI-IBGZPJMESA-N 2 0 339.499 2.488 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467691 800798071 /nfs/dbraw/zinc/79/80/71/800798071.db2.gz AWCULRNUVWXRCW-DBXWQHBBSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736023 800899790 /nfs/dbraw/zinc/89/97/90/800899790.db2.gz GKFVATXKSWFVLX-CXAGYDPISA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183391856 801583711 /nfs/dbraw/zinc/58/37/11/801583711.db2.gz RXGJZBKCTKVMAB-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591108 801597163 /nfs/dbraw/zinc/59/71/63/801597163.db2.gz OCTFONDJIIKIAP-RDGPPVDQSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004471491 802159971 /nfs/dbraw/zinc/15/99/71/802159971.db2.gz XCDSYDQGICXGJF-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616136 802175403 /nfs/dbraw/zinc/17/54/03/802175403.db2.gz WUCCGOSBSQEHRD-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001185072970 802336779 /nfs/dbraw/zinc/33/67/79/802336779.db2.gz LRLBTYHPFCENEI-APWZRJJASA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004569054 802388823 /nfs/dbraw/zinc/38/88/23/802388823.db2.gz OZDQPVGWSNIQFL-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001185293585 802447233 /nfs/dbraw/zinc/44/72/33/802447233.db2.gz HXSNRVNMNXOTGQ-QFBILLFUSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595013 802447715 /nfs/dbraw/zinc/44/77/15/802447715.db2.gz DZOSKDYUFKTZSF-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001108283474 803157274 /nfs/dbraw/zinc/15/72/74/803157274.db2.gz DOOCLJLNEVZKEL-LJQANCHMSA-N 2 0 339.524 2.282 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108775793 804480955 /nfs/dbraw/zinc/48/09/55/804480955.db2.gz JJBABXUCLLIWQW-IHPCNDPISA-N 2 0 339.483 2.354 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001129418538 810832162 /nfs/dbraw/zinc/83/21/62/810832162.db2.gz ULXQEBQYVMNQDB-LJQANCHMSA-N 2 0 327.472 2.007 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC001129430742 810850347 /nfs/dbraw/zinc/85/03/47/810850347.db2.gz WWZKLWRANREHDW-QGZVFWFLSA-N 2 0 346.500 2.233 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001130425398 811620602 /nfs/dbraw/zinc/62/06/02/811620602.db2.gz XTLLUIFWQUGIKV-UHFFFAOYSA-N 2 0 335.879 2.128 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130444149 811650662 /nfs/dbraw/zinc/65/06/62/811650662.db2.gz ZWWWSPDQTKEFLW-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001130450636 811683004 /nfs/dbraw/zinc/68/30/04/811683004.db2.gz RNYUZCYBNMTLCI-MRXNPFEDSA-N 2 0 347.507 2.122 20 30 EEEDRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1)[NH+](C)C ZINC001438397728 1090885158 /nfs/dbraw/zinc/88/51/58/1090885158.db2.gz BPPDEGZBQZAYPN-INIZCTEOSA-N 2 0 348.516 2.479 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001438613657 1091103124 /nfs/dbraw/zinc/10/31/24/1091103124.db2.gz RHNSEQFZHWNDJK-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001496596516 1101196705 /nfs/dbraw/zinc/19/67/05/1101196705.db2.gz BYLMHCVQCPNDGZ-IBGZPJMESA-N 2 0 342.487 2.130 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001495574321 1101283743 /nfs/dbraw/zinc/28/37/43/1101283743.db2.gz XJBWZNRWCPJMDJ-MOPGFXCFSA-N 2 0 331.504 2.387 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496078567 1102021073 /nfs/dbraw/zinc/02/10/73/1102021073.db2.gz IISNRPLEMMZDOS-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860372 292364162 /nfs/dbraw/zinc/36/41/62/292364162.db2.gz WMKJCYFCYAUYDD-GOSISDBHSA-N 2 0 343.475 2.438 20 30 EEEDRP N#Cc1cnn2cc(C[NH2+]CCCCC[NH+]3CCCCC3)cnc12 ZINC000574757679 320054636 /nfs/dbraw/zinc/05/46/36/320054636.db2.gz XNCCBJNMYCLSPQ-UHFFFAOYSA-N 2 0 326.448 2.347 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000105139737 463440520 /nfs/dbraw/zinc/44/05/20/463440520.db2.gz YCUUMOLUASJFCX-ZWKOTPCHSA-N 2 0 336.524 2.421 20 30 EEEDRP C=CCc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc(OC)c1O ZINC000185863446 463893573 /nfs/dbraw/zinc/89/35/73/463893573.db2.gz NQQKHEIKKHAOBE-INIZCTEOSA-N 2 0 347.503 2.245 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)cc1 ZINC000264070930 464279876 /nfs/dbraw/zinc/27/98/76/464279876.db2.gz GDDXFGRFTQGHPI-CYBMUJFWSA-N 2 0 326.391 2.177 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000264088802 464282213 /nfs/dbraw/zinc/28/22/13/464282213.db2.gz KGSIHUHRVHHQAR-UHFFFAOYSA-N 2 0 343.519 2.378 20 30 EEEDRP CCN1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccccc1 ZINC000285023346 464428846 /nfs/dbraw/zinc/42/88/46/464428846.db2.gz JHJDMDNHHXQRCV-ROUUACIJSA-N 2 0 330.476 2.295 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1N1CCCC1 ZINC000285038788 464435315 /nfs/dbraw/zinc/43/53/15/464435315.db2.gz KHKSQVOWROLYNL-HNNXBMFYSA-N 2 0 347.482 2.315 20 30 EEEDRP O=C(NCc1cccc(-n2ccnc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329486565 465349721 /nfs/dbraw/zinc/34/97/21/465349721.db2.gz XNJDLWSWENLAGD-QGZVFWFLSA-N 2 0 325.416 2.066 20 30 EEEDRP C[C@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593919113 468433410 /nfs/dbraw/zinc/43/34/10/468433410.db2.gz OTJMWKANYRLJJN-HNAYVOBHSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000417068570 466770222 /nfs/dbraw/zinc/77/02/22/466770222.db2.gz SLAJJLWIDHVPAK-FGTMMUONSA-N 2 0 336.524 2.454 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000424164033 466994020 /nfs/dbraw/zinc/99/40/20/466994020.db2.gz WGAFKTPVULUHKU-CEXWTWQISA-N 2 0 342.487 2.206 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000424164039 466994288 /nfs/dbraw/zinc/99/42/88/466994288.db2.gz WGAFKTPVULUHKU-GBESFXJTSA-N 2 0 342.487 2.206 20 30 EEEDRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000515386423 467989774 /nfs/dbraw/zinc/98/97/74/467989774.db2.gz NJBLGCAJSQKGSW-GOSISDBHSA-N 2 0 343.475 2.168 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000516935160 468057307 /nfs/dbraw/zinc/05/73/07/468057307.db2.gz MGEGUFGXGKIQFE-ZWKOTPCHSA-N 2 0 341.455 2.378 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391689 468164683 /nfs/dbraw/zinc/16/46/83/468164683.db2.gz VGDJRZXHXLWHSW-RBUKOAKNSA-N 2 0 345.487 2.202 20 30 EEEDRP CC1(C)CC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC(C)(C)[NH2+]1 ZINC000582316670 468523088 /nfs/dbraw/zinc/52/30/88/468523088.db2.gz WGPGRBDQECVUHN-KRWDZBQOSA-N 2 0 345.487 2.391 20 30 EEEDRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722504 468635007 /nfs/dbraw/zinc/63/50/07/468635007.db2.gz GLHRFAQADFIDMU-WMZOPIPTSA-N 2 0 333.476 2.254 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654431580 471956665 /nfs/dbraw/zinc/95/66/65/471956665.db2.gz REEMBODPIBDICG-QZTJIDSGSA-N 2 0 334.508 2.343 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681628 472203859 /nfs/dbraw/zinc/20/38/59/472203859.db2.gz KMIPVSMBJLQZPW-GOEBONIOSA-N 2 0 347.425 2.343 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171696375 526433700 /nfs/dbraw/zinc/43/37/00/526433700.db2.gz RJOSGSPTLGVZQQ-SFHVURJKSA-N 2 0 330.476 2.239 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC000969213693 674709802 /nfs/dbraw/zinc/70/98/02/674709802.db2.gz KBHBTMFVFRKUPV-GOSISDBHSA-N 2 0 345.406 2.210 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001021090123 675715868 /nfs/dbraw/zinc/71/58/68/675715868.db2.gz MXOFOLHTHAPBKS-NOKIBDOBSA-N 2 0 345.531 2.395 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039249543 676266592 /nfs/dbraw/zinc/26/65/92/676266592.db2.gz BIVJHEWPXXCLTF-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001023760613 679564978 /nfs/dbraw/zinc/56/49/78/679564978.db2.gz YAZKMHLQIIQFSE-XBMUEBEBSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028600825 681347402 /nfs/dbraw/zinc/34/74/02/681347402.db2.gz DYSUHQDAVDGBTE-PMACEKPBSA-N 2 0 339.483 2.031 20 30 EEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833141 681354981 /nfs/dbraw/zinc/35/49/81/681354981.db2.gz CTRPOSKJOFALOW-YSIASYRMSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC(=C)C)CC1 ZINC001024813346 681466069 /nfs/dbraw/zinc/46/60/69/681466069.db2.gz ZWJZUEXEOQEUQV-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542068 681865455 /nfs/dbraw/zinc/86/54/55/681865455.db2.gz KWCGINFOYODDOH-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755577 682109923 /nfs/dbraw/zinc/10/99/23/682109923.db2.gz QISJQUDCSQYPIG-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817753 682282242 /nfs/dbraw/zinc/28/22/42/682282242.db2.gz GGHOWAOOOPTVTO-RLLQIKCJSA-N 2 0 341.499 2.346 20 30 EEEDRP C=C(Br)CNC(=[NH+]CC)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262446776 686108613 /nfs/dbraw/zinc/10/86/13/686108613.db2.gz IYXGZBNCVZQUII-AWEZNQCLSA-N 2 0 343.313 2.421 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1cccs1 ZINC000262519237 686800752 /nfs/dbraw/zinc/80/07/52/686800752.db2.gz HUAJXOFLSODDMK-UKRRQHHQSA-N 2 0 338.546 2.495 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029766623 687034776 /nfs/dbraw/zinc/03/47/76/687034776.db2.gz FHXJQWZPJAMJSA-RTBURBONSA-N 2 0 342.487 2.179 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@H]2C)CC1 ZINC000987568284 689844266 /nfs/dbraw/zinc/84/42/66/689844266.db2.gz HRQFRSWCIYSUHK-XLIONFOSSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636397 692098948 /nfs/dbraw/zinc/09/89/48/692098948.db2.gz WOLAHCHNVXRROP-ZBFHGGJFSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027446914 692113444 /nfs/dbraw/zinc/11/34/44/692113444.db2.gz XJQUNIJULPTDET-MOPGFXCFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[C@@H]([NH2+]CC(C)C)C(C)C)CC1 ZINC001755343675 1182005842 /nfs/dbraw/zinc/00/58/42/1182005842.db2.gz ZQKYQIUZVYHMEX-LJQANCHMSA-N 2 0 335.536 2.450 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415741 1194536663 /nfs/dbraw/zinc/53/66/63/1194536663.db2.gz KGIKNIRFRBCVJV-MAUKXSAKSA-N 2 0 325.472 2.308 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033440476 1194571676 /nfs/dbraw/zinc/57/16/76/1194571676.db2.gz PYPOTHDFCDHVMO-ZCNNSNEGSA-N 2 0 341.499 2.441 20 30 EEEDRP C=C(Cl)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364390 1196153893 /nfs/dbraw/zinc/15/38/93/1196153893.db2.gz UBVFMFTVSJYVMM-JYJNAYRXSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132125594 1199331472 /nfs/dbraw/zinc/33/14/72/1199331472.db2.gz XDUXSMOWTAFVSI-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132154322 1199367058 /nfs/dbraw/zinc/36/70/58/1199367058.db2.gz YROLQVSYXHOVAS-RDJZCZTQSA-N 2 0 342.443 2.120 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613576 1199690422 /nfs/dbraw/zinc/69/04/22/1199690422.db2.gz WEVMYWCWRNKTBH-JKSUJKDBSA-N 2 0 342.487 2.415 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607829 1199700107 /nfs/dbraw/zinc/70/01/07/1199700107.db2.gz MFNDXNWYCPUIOI-UONOGXRCSA-N 2 0 348.516 2.477 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338144 1200762320 /nfs/dbraw/zinc/76/23/20/1200762320.db2.gz SERPXSHUVLXOSO-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275708013 1205492919 /nfs/dbraw/zinc/49/29/19/1205492919.db2.gz FPZDYYUGUPYOSZ-OALUTQOASA-N 2 0 329.488 2.462 20 30 EEEDRP C#CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001275975027 1205613077 /nfs/dbraw/zinc/61/30/77/1205613077.db2.gz HJKNGXWILZARPQ-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1)[NH+](C)C ZINC001111036504 1207635887 /nfs/dbraw/zinc/63/58/87/1207635887.db2.gz ZBSVCCROZUCOIU-YRXWBPOGSA-N 2 0 340.471 2.120 20 30 EEEDRP C=CCC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000949529368 1209729518 /nfs/dbraw/zinc/72/95/18/1209729518.db2.gz QNBBBEZVXKDCMJ-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778916 1213905501 /nfs/dbraw/zinc/90/55/01/1213905501.db2.gz KCBSIQYKOGLOMA-RBUKOAKNSA-N 3 0 345.535 2.458 20 30 EEEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000303882702 1213920248 /nfs/dbraw/zinc/92/02/48/1213920248.db2.gz IIAGECUREHOQDU-UHFFFAOYSA-N 2 0 347.482 2.138 20 30 EEEDRP CC[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000303908675 1213924457 /nfs/dbraw/zinc/92/44/57/1213924457.db2.gz XTAQVKAAUKKRJC-QGZVFWFLSA-N 2 0 347.482 2.137 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603036 1215248736 /nfs/dbraw/zinc/24/87/36/1215248736.db2.gz LUVLUULLVWGJRP-ZWKOTPCHSA-N 2 0 333.520 2.465 20 30 EEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304516224 1216057778 /nfs/dbraw/zinc/05/77/78/1216057778.db2.gz VRVIUFUAZMYAQE-ZDUSSCGKSA-N 2 0 344.381 2.331 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000304810581 1216106946 /nfs/dbraw/zinc/10/69/46/1216106946.db2.gz WMCJSSTUNFJCRB-OAHLLOKOSA-N 2 0 330.476 2.160 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cc1ccc(OC)cc1 ZINC000305701459 1216989790 /nfs/dbraw/zinc/98/97/90/1216989790.db2.gz PRBTWUIBFSVIDS-NVXWUHKLSA-N 2 0 332.492 2.262 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206466 1217089161 /nfs/dbraw/zinc/08/91/61/1217089161.db2.gz DVLIUIKAYKMXEC-DLBZAZTESA-N 2 0 336.439 2.142 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220269 1217095119 /nfs/dbraw/zinc/09/51/19/1217095119.db2.gz KICZACFPSBFTFO-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961412666 1217180245 /nfs/dbraw/zinc/18/02/45/1217180245.db2.gz UIJAMMPUWYUOHZ-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000963371156 1217567626 /nfs/dbraw/zinc/56/76/26/1217567626.db2.gz MJCPSXUUISTVOR-UHFFFAOYSA-N 2 0 333.501 2.416 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000963426881 1217620785 /nfs/dbraw/zinc/62/07/85/1217620785.db2.gz DDXNKQXDDZODOE-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000964026006 1218205721 /nfs/dbraw/zinc/20/57/21/1218205721.db2.gz BFDLGANZAZFQNM-UHFFFAOYSA-N 2 0 331.504 2.456 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311943 1220403307 /nfs/dbraw/zinc/40/33/07/1220403307.db2.gz LHVCITKFEUZCMA-CRAIPNDOSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887411 1221646938 /nfs/dbraw/zinc/64/69/38/1221646938.db2.gz DFTKSNNXRBEPAO-OALUTQOASA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788591 1226878133 /nfs/dbraw/zinc/87/81/33/1226878133.db2.gz BRNFXNIOZXBPQF-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCC2CC2)CC3)CC1 ZINC001016987151 1227015843 /nfs/dbraw/zinc/01/58/43/1227015843.db2.gz WEKICRNLJLDVQN-LJQANCHMSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137529 1230350402 /nfs/dbraw/zinc/35/04/02/1230350402.db2.gz NQQJFXPGUSXDOR-GOSISDBHSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235688 1230468708 /nfs/dbraw/zinc/46/87/08/1230468708.db2.gz ZEDUUFYADLPKSW-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039282789 1230507596 /nfs/dbraw/zinc/50/75/96/1230507596.db2.gz UXWPYPOJIVACBM-IPQPSQTFSA-N 2 0 331.504 2.242 20 30 EEEDRP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039424002 1230601457 /nfs/dbraw/zinc/60/14/57/1230601457.db2.gz XDNKQIBQGAOBGL-QRVBRYPASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314622 1231165271 /nfs/dbraw/zinc/16/52/71/1231165271.db2.gz ULACPNREYOBVIC-PZJWPPBQSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767041 1231683740 /nfs/dbraw/zinc/68/37/40/1231683740.db2.gz DJTDSSLPDCNILN-HXUWFJFHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041778249 1231689745 /nfs/dbraw/zinc/68/97/45/1231689745.db2.gz VBIKUKSKELGNMF-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297649 1232012986 /nfs/dbraw/zinc/01/29/86/1232012986.db2.gz STVLWJSBPODAAI-HKUYNNGSSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042376397 1232054277 /nfs/dbraw/zinc/05/42/77/1232054277.db2.gz RJQMDCMTSLGCDG-FUHWJXTLSA-N 2 0 343.471 2.291 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001044674970 1233169684 /nfs/dbraw/zinc/16/96/84/1233169684.db2.gz YTLIIPFGCRVBRW-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943812 1234203644 /nfs/dbraw/zinc/20/36/44/1234203644.db2.gz PJHOSGLUWMQFIH-PZJWPPBQSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045944969 1234205544 /nfs/dbraw/zinc/20/55/44/1234205544.db2.gz KTYLDOBJXKZOPH-ICSRJNTNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319201 1234663963 /nfs/dbraw/zinc/66/39/63/1234663963.db2.gz PZDCJLPLIBSXBR-PXNSSMCTSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(=C)C)C3)CC1 ZINC001047208241 1235672175 /nfs/dbraw/zinc/67/21/75/1235672175.db2.gz BOAPSDGMHHOKTL-IHPCNDPISA-N 2 0 343.515 2.267 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047250001 1235749109 /nfs/dbraw/zinc/74/91/09/1235749109.db2.gz YPTJLIMBLIBZFH-IHPCNDPISA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047253956 1235757247 /nfs/dbraw/zinc/75/72/47/1235757247.db2.gz LCODZIACNXHMDL-RTBURBONSA-N 2 0 333.520 2.156 20 30 EEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048524837 1237861972 /nfs/dbraw/zinc/86/19/72/1237861972.db2.gz BQAKQTCZFGFNRT-ZSXDVEMLSA-N 2 0 331.504 2.406 20 30 EEEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048559996 1237963851 /nfs/dbraw/zinc/96/38/51/1237963851.db2.gz CZRDDSSQLQCYEF-ACHSLPGTSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000154964 1240005554 /nfs/dbraw/zinc/00/55/54/1240005554.db2.gz QCMNSFQISDFBDM-HKUYNNGSSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049482318 1241088516 /nfs/dbraw/zinc/08/85/16/1241088516.db2.gz MLXQRKOBDKJDJO-KLHDSHLOSA-N 2 0 325.884 2.144 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)CC1 ZINC001050770413 1244332224 /nfs/dbraw/zinc/33/22/24/1244332224.db2.gz FXYOQYGCQSJYOV-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701488 1244784798 /nfs/dbraw/zinc/78/47/98/1244784798.db2.gz FPNQQMZAKUSXAH-LPHOPBHVSA-N 2 0 337.483 2.193 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933211 1245505196 /nfs/dbraw/zinc/50/51/96/1245505196.db2.gz XVLITHAEKZAJOC-LSDHHAIUSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC001052954810 1245546448 /nfs/dbraw/zinc/54/64/48/1245546448.db2.gz SQKDGQLJKAISQU-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053039276 1245741490 /nfs/dbraw/zinc/74/14/90/1245741490.db2.gz DLQQLCIYHYZNOY-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001053092670 1245882639 /nfs/dbraw/zinc/88/26/39/1245882639.db2.gz IOXYPIJPWWLHKA-MOPGFXCFSA-N 2 0 342.487 2.390 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147782 1247526856 /nfs/dbraw/zinc/52/68/56/1247526856.db2.gz XYPOOANQZRRAPD-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171304 1247597573 /nfs/dbraw/zinc/59/75/73/1247597573.db2.gz OCPLRKISYYYFHZ-UYAOXDASSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054207986 1247720909 /nfs/dbraw/zinc/72/09/09/1247720909.db2.gz CMLWKYHPOSQZQC-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245200 1247859886 /nfs/dbraw/zinc/85/98/86/1247859886.db2.gz PSOCHMXPMYGUNE-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910122 1255481960 /nfs/dbraw/zinc/48/19/60/1255481960.db2.gz UNZZRXMSNYYDFO-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC001072984724 1255549509 /nfs/dbraw/zinc/54/95/09/1255549509.db2.gz MSRAFVUCSONSFR-UHFFFAOYSA-N 2 0 327.472 2.125 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001074877928 1257186495 /nfs/dbraw/zinc/18/64/95/1257186495.db2.gz SAYUZLOKVPCPHT-ZQIUZPCESA-N 2 0 346.500 2.183 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098463994 1257698527 /nfs/dbraw/zinc/69/85/27/1257698527.db2.gz KJIFJTWFSFEVKX-QRQLOZEOSA-N 2 0 325.456 2.107 20 30 EEEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](CC)CC ZINC001490925787 1258486322 /nfs/dbraw/zinc/48/63/22/1258486322.db2.gz HAEGLPAKLBFQAB-GUDVDZBRSA-N 2 0 342.487 2.415 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185751321 1278785537 /nfs/dbraw/zinc/78/55/37/1278785537.db2.gz OZWYNSOWIHKKBB-ZWKOTPCHSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC/C=C/CC)C[C@H]32)CC1 ZINC001190317177 1280788103 /nfs/dbraw/zinc/78/81/03/1280788103.db2.gz DPRZWKJOROVTMO-MNVMYWNISA-N 2 0 343.515 2.221 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCC=C)C1 ZINC001190723716 1281032250 /nfs/dbraw/zinc/03/22/50/1281032250.db2.gz JCTUASIWYNHQQK-OALUTQOASA-N 2 0 331.504 2.363 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292387 1282427123 /nfs/dbraw/zinc/42/71/23/1282427123.db2.gz OBPJJWJFVYYFQA-IBGZPJMESA-N 2 0 345.462 2.052 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198618250 1285274737 /nfs/dbraw/zinc/27/47/37/1285274737.db2.gz XKMDZCDGHSSWOP-IRXDYDNUSA-N 2 0 331.460 2.112 20 30 EEEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000852099351 1291992217 /nfs/dbraw/zinc/99/22/17/1291992217.db2.gz KIPKUYVOUAWUPB-OAQYLSRUSA-N 2 0 341.499 2.467 20 30 EEEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000852099889 1291993147 /nfs/dbraw/zinc/99/31/47/1291993147.db2.gz RBJBADTYGHNNTO-NRFANRHFSA-N 2 0 341.499 2.421 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C)[NH+](C)C ZINC001074711045 1298268205 /nfs/dbraw/zinc/26/82/05/1298268205.db2.gz OGGKBBVJGKYOAC-DOPJRALCSA-N 2 0 346.450 2.117 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353866 1299076323 /nfs/dbraw/zinc/07/63/23/1299076323.db2.gz HYHSLHIISXTYFG-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001224911712 1300778854 /nfs/dbraw/zinc/77/88/54/1300778854.db2.gz TXSVKJRSJPLGRF-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372561 1300952307 /nfs/dbraw/zinc/95/23/07/1300952307.db2.gz JJOWYYKESLNKBJ-MDZRGWNJSA-N 2 0 339.499 2.459 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102525168 1301183605 /nfs/dbraw/zinc/18/36/05/1301183605.db2.gz OBJPZYNJSCUTSP-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599278 1301274033 /nfs/dbraw/zinc/27/40/33/1301274033.db2.gz WNTZCINTNWYSIK-GDBMZVCRSA-N 2 0 327.900 2.299 20 30 EEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001227454005 1301835184 /nfs/dbraw/zinc/83/51/84/1301835184.db2.gz LPCJXYKLEHLFNI-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001227703832 1301934927 /nfs/dbraw/zinc/93/49/27/1301934927.db2.gz NXDOQXWXXRAVEA-WOJBJXKFSA-N 2 0 341.499 2.445 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001230000833 1303012890 /nfs/dbraw/zinc/01/28/90/1303012890.db2.gz ZPZYLQCKBOCNGM-FQEVSTJZSA-N 2 0 327.472 2.067 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495612 1303035966 /nfs/dbraw/zinc/03/59/66/1303035966.db2.gz KZBNVLUQRRBOJE-CEXWTWQISA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571434 1303283985 /nfs/dbraw/zinc/28/39/85/1303283985.db2.gz DOMXGRKJULNGSZ-ZWKOTPCHSA-N 2 0 337.483 2.003 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC001230783375 1303454787 /nfs/dbraw/zinc/45/47/87/1303454787.db2.gz GMNKJWDXLZZGLN-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC001277543183 1303869503 /nfs/dbraw/zinc/86/95/03/1303869503.db2.gz ITJLSEBFHKPNIP-FUHWJXTLSA-N 2 0 332.879 2.279 20 30 EEEDRP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177518 1305177520 /nfs/dbraw/zinc/17/75/20/1305177520.db2.gz TWLOSVNGQPIENA-AEFFLSMTSA-N 2 0 334.508 2.237 20 30 EEEDRP N#Cc1ccc(CC[N@@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)cc1 ZINC001278174963 1306174267 /nfs/dbraw/zinc/17/42/67/1306174267.db2.gz FVHZKAUBZANCRR-UHFFFAOYSA-N 2 0 349.482 2.395 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120021033 1309285284 /nfs/dbraw/zinc/28/52/84/1309285284.db2.gz LNTNOOFIDKHQJC-UHFFFAOYSA-N 2 0 328.460 2.193 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399885 1320154149 /nfs/dbraw/zinc/15/41/49/1320154149.db2.gz GARHAHWWKITEJS-IBGZPJMESA-N 2 0 349.519 2.202 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203006164 1314819891 /nfs/dbraw/zinc/81/98/91/1314819891.db2.gz VDTRLRZQVKXCSS-UHFFFAOYSA-N 2 0 345.462 2.100 20 30 EEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155313717 1317546874 /nfs/dbraw/zinc/54/68/74/1317546874.db2.gz FQVMCKSQXNTBNS-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865832 1318881538 /nfs/dbraw/zinc/88/15/38/1318881538.db2.gz YYPVZUWYKRLCIS-MRXNPFEDSA-N 2 0 344.459 2.427 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001160274185 1320120019 /nfs/dbraw/zinc/12/00/19/1320120019.db2.gz QFVDKOUYSQHINZ-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160474013 1320171799 /nfs/dbraw/zinc/17/17/99/1320171799.db2.gz WPEWJITXDLDMER-MOPGFXCFSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383276 1320482357 /nfs/dbraw/zinc/48/23/57/1320482357.db2.gz OUJFOQHXIXMQAR-SFHVURJKSA-N 2 0 331.504 2.413 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001166004537 1321634412 /nfs/dbraw/zinc/63/44/12/1321634412.db2.gz QSIZQNHUPIZCOQ-GOSISDBHSA-N 2 0 349.906 2.374 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203625750 1321926513 /nfs/dbraw/zinc/92/65/13/1321926513.db2.gz XNIBPXUMJJJUBP-CABCVRRESA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633514 1321928623 /nfs/dbraw/zinc/92/86/23/1321928623.db2.gz YDRLUOUBNMRAOO-CABCVRRESA-N 2 0 327.900 2.488 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC=C(C)C)C23CCC3)CC1 ZINC001203770533 1321957411 /nfs/dbraw/zinc/95/74/11/1321957411.db2.gz HDTFKIMRDKQFOE-OALUTQOASA-N 2 0 343.515 2.315 20 30 EEEDRP N#Cc1c2c(cnc1-c1ccc(N3CC[NH2+]CC3)cc1)C[NH2+]CCC2 ZINC001205368137 1323094678 /nfs/dbraw/zinc/09/46/78/1323094678.db2.gz XHQLXXWRYFYWPZ-UHFFFAOYSA-N 2 0 333.439 2.066 20 30 EEEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC001207436834 1323972625 /nfs/dbraw/zinc/97/26/25/1323972625.db2.gz RRPIYBOPRAWWQT-UHFFFAOYSA-N 2 0 335.492 2.487 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471728 1324515745 /nfs/dbraw/zinc/51/57/45/1324515745.db2.gz YIYKCGMZMHRMLC-MRXNPFEDSA-N 2 0 342.443 2.040 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2ccncc2)CC1 ZINC001209189239 1324841850 /nfs/dbraw/zinc/84/18/50/1324841850.db2.gz IBUAXIPKGAYLCU-UHFFFAOYSA-N 2 0 328.504 2.306 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001209315230 1324899321 /nfs/dbraw/zinc/89/93/21/1324899321.db2.gz PCXMWPPXEZJAAS-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210340953 1325246881 /nfs/dbraw/zinc/24/68/81/1325246881.db2.gz ZMMCCGYUYWUJFF-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001569451854 1342872595 /nfs/dbraw/zinc/87/25/95/1342872595.db2.gz KPQZSRJFXKVPIF-IBGZPJMESA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CC[NH+](C)CC1 ZINC001574590600 1343685669 /nfs/dbraw/zinc/68/56/69/1343685669.db2.gz GJSSDRZATNHPLL-GOSISDBHSA-N 2 0 339.483 2.235 20 30 EEEDRP C#CC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCCCC1 ZINC001115648542 1371692531 /nfs/dbraw/zinc/69/25/31/1371692531.db2.gz WXWJQQRFHPTNAA-UHFFFAOYSA-N 2 0 341.499 2.446 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000834362981 1372546141 /nfs/dbraw/zinc/54/61/41/1372546141.db2.gz QMGPTFDBFQGXFH-QZTJIDSGSA-N 2 0 341.499 2.394 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443264 1373899847 /nfs/dbraw/zinc/89/98/47/1373899847.db2.gz XYWJHXOKXKGQRB-OALUTQOASA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367675479 1374229401 /nfs/dbraw/zinc/22/94/01/1374229401.db2.gz LWESBTJLGVYEQL-CYBMUJFWSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001370079440 1374789477 /nfs/dbraw/zinc/78/94/77/1374789477.db2.gz MWNBVGSAPOFHAC-CABCVRRESA-N 2 0 327.900 2.296 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001375893350 1378116063 /nfs/dbraw/zinc/11/60/63/1378116063.db2.gz ODZLKLVHLQJDSU-KRWDZBQOSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001376580291 1378609603 /nfs/dbraw/zinc/60/96/03/1378609603.db2.gz ROKNSIWIVRZRFW-AWEZNQCLSA-N 2 0 346.313 2.065 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001377395346 1379202618 /nfs/dbraw/zinc/20/26/18/1379202618.db2.gz RZZOOUWBWCXIIZ-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001380981889 1381480432 /nfs/dbraw/zinc/48/04/32/1381480432.db2.gz MMGCEGCQLIBVMG-LJQANCHMSA-N 2 0 344.503 2.425 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752655630 1406329470 /nfs/dbraw/zinc/32/94/70/1406329470.db2.gz UZPOSFXRAMHYJJ-ZHALLVOQSA-N 2 0 349.519 2.223 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895160 1389692311 /nfs/dbraw/zinc/69/23/11/1389692311.db2.gz QHCRPONMODYBAN-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507401 1397414701 /nfs/dbraw/zinc/41/47/01/1397414701.db2.gz XPVBFOUEJJUHSW-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979068 1401828385 /nfs/dbraw/zinc/82/83/85/1401828385.db2.gz XVLOJPGEYFMGGM-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001755811627 1407865391 /nfs/dbraw/zinc/86/53/91/1407865391.db2.gz BHLYZTINKMEMFP-UHFFFAOYSA-N 2 0 326.444 2.448 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461421 760929268 /nfs/dbraw/zinc/92/92/68/760929268.db2.gz GRQOEDVCSRVCMM-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211611550 761103593 /nfs/dbraw/zinc/10/35/93/761103593.db2.gz ZDWHTJHRCKMQNG-GBESFXJTSA-N 2 0 347.478 2.437 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440065 761374723 /nfs/dbraw/zinc/37/47/23/761374723.db2.gz KCZZTQZLXLIQOD-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067073 768986651 /nfs/dbraw/zinc/98/66/51/768986651.db2.gz LSQDADLTEMVCKO-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCC(C)C)CC[C@@H]3C2)CC1 ZINC001088212258 783063088 /nfs/dbraw/zinc/06/30/88/783063088.db2.gz YJEMGEARQXHZSG-UXHICEINSA-N 2 0 345.531 2.158 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639841 773637963 /nfs/dbraw/zinc/63/79/63/773637963.db2.gz ZZXUIQLFLRCCFW-QZTJIDSGSA-N 2 0 333.520 2.489 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779653 783196169 /nfs/dbraw/zinc/19/61/69/783196169.db2.gz SFXFERCQZMHVJX-QMCVQRASSA-N 2 0 339.911 2.107 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000981527866 777591382 /nfs/dbraw/zinc/59/13/82/777591382.db2.gz METSMRDVQJSUKN-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089858447 778465656 /nfs/dbraw/zinc/46/56/56/778465656.db2.gz AVOBTIRLTHXTIR-MANSERQUSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279891 779518141 /nfs/dbraw/zinc/51/81/41/779518141.db2.gz LUCYXMHXDJRPJD-JYAXBFRTSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295375 779603069 /nfs/dbraw/zinc/60/30/69/779603069.db2.gz SCKYIVOEMNDBAS-YSIASYRMSA-N 2 0 333.520 2.321 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729699 780114814 /nfs/dbraw/zinc/11/48/14/780114814.db2.gz HDAAONAUKGRJRU-RBUKOAKNSA-N 2 0 329.488 2.487 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809742971 783354969 /nfs/dbraw/zinc/35/49/69/783354969.db2.gz OZTZZEIAYMADHO-KRWDZBQOSA-N 2 0 330.476 2.047 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327206 783516724 /nfs/dbraw/zinc/51/67/24/783516724.db2.gz IALYCZZPQRARGC-HOTGVXAUSA-N 2 0 327.900 2.440 20 30 EEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135471203 783825027 /nfs/dbraw/zinc/82/50/27/783825027.db2.gz INTCYBYTIXULGL-IRXDYDNUSA-N 2 0 329.488 2.301 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215501 784139859 /nfs/dbraw/zinc/13/98/59/784139859.db2.gz GSEVSTSLMZESKK-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237836 784157621 /nfs/dbraw/zinc/15/76/21/784157621.db2.gz WVKRFUGBNQUGBD-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135857665 784640139 /nfs/dbraw/zinc/64/01/39/784640139.db2.gz MDMGRSHQYIDXPU-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996611602 786796536 /nfs/dbraw/zinc/79/65/36/786796536.db2.gz MZQBUKYPIQJBMF-INIZCTEOSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001030031472 789100209 /nfs/dbraw/zinc/10/02/09/789100209.db2.gz OKCQLSUEGLAMCA-HOJAQTOUSA-N 2 0 339.483 2.426 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923388097 789484190 /nfs/dbraw/zinc/48/41/90/789484190.db2.gz NNXWHIGGLRCWNH-OALUTQOASA-N 2 0 343.471 2.010 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923388094 789484480 /nfs/dbraw/zinc/48/44/80/789484480.db2.gz NNXWHIGGLRCWNH-MOPGFXCFSA-N 2 0 343.471 2.010 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902785 789585884 /nfs/dbraw/zinc/58/58/84/789585884.db2.gz ZASIIOLFHLOVLE-CADBVGFASA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113080 790093455 /nfs/dbraw/zinc/09/34/55/790093455.db2.gz CELFLNFPVVQSQU-CHWSQXEVSA-N 2 0 333.398 2.026 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001146338906 791192096 /nfs/dbraw/zinc/19/20/96/791192096.db2.gz ITOBWTVMRFTSSZ-CVEARBPZSA-N 2 0 328.460 2.027 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001146591862 791360455 /nfs/dbraw/zinc/36/04/55/791360455.db2.gz HPWSWJBBWDUEPF-LSDHHAIUSA-N 2 0 348.466 2.410 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021769 791845853 /nfs/dbraw/zinc/84/58/53/791845853.db2.gz HMSKTHLKSFMNDL-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684558 792223420 /nfs/dbraw/zinc/22/34/20/792223420.db2.gz JAISIXJFKAKMRT-HLIPFELVSA-N 2 0 342.487 2.200 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731741 792547523 /nfs/dbraw/zinc/54/75/23/792547523.db2.gz VGLIGUFGZJKXQE-GGPKGHCWSA-N 2 0 333.520 2.321 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737535 792598051 /nfs/dbraw/zinc/59/80/51/792598051.db2.gz MTRBDMGOQBRLJM-GGPKGHCWSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947352 793048467 /nfs/dbraw/zinc/04/84/67/793048467.db2.gz VVIFEUGJODSANW-KRWDZBQOSA-N 2 0 331.504 2.055 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998993502 793662936 /nfs/dbraw/zinc/66/29/36/793662936.db2.gz FLCLISASYYNGTC-ACBHZAAOSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](F)CC)CC2 ZINC001040731844 794286667 /nfs/dbraw/zinc/28/66/67/794286667.db2.gz QVOXBEWMIPGLSN-ROUUACIJSA-N 2 0 349.494 2.147 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000999670875 794805972 /nfs/dbraw/zinc/80/59/72/794805972.db2.gz FWENXVTWLQFFKK-UHFFFAOYSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCC3CCCC3)C2)CC1 ZINC000999875959 795071002 /nfs/dbraw/zinc/07/10/02/795071002.db2.gz GHYGMCBAHGPOLP-UHFFFAOYSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976754 795125469 /nfs/dbraw/zinc/12/54/69/795125469.db2.gz ZTHJMJJXLGAIBX-JKSUJKDBSA-N 2 0 327.900 2.442 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093383770 795127027 /nfs/dbraw/zinc/12/70/27/795127027.db2.gz OFIWXUAACHWDDD-FQEVSTJZSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810433 795215504 /nfs/dbraw/zinc/21/55/04/795215504.db2.gz BKLFQAKRUCPPDY-HZPDHXFCSA-N 2 0 325.884 2.004 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001079879580 795312997 /nfs/dbraw/zinc/31/29/97/795312997.db2.gz ZNVRUXXQODBNAO-QRQLOZEOSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456603 796266875 /nfs/dbraw/zinc/26/68/75/796266875.db2.gz JJGBKRALUHZEFY-QKNQBKEWSA-N 2 0 345.531 2.491 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172307869 796949985 /nfs/dbraw/zinc/94/99/85/796949985.db2.gz JYUVKCBCXNVFQO-FFZOFVMBSA-N 2 0 326.488 2.199 20 30 EEEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172495533 797006951 /nfs/dbraw/zinc/00/69/51/797006951.db2.gz RAQQDKUIGZSBBY-QXAKKESOSA-N 2 0 346.519 2.476 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001095041426 797265047 /nfs/dbraw/zinc/26/50/47/797265047.db2.gz ZGKZLZMHALMASC-XHSDSOJGSA-N 2 0 328.460 2.306 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905468 797926770 /nfs/dbraw/zinc/92/67/70/797926770.db2.gz KUQPBULIHAASHX-SQNIBIBYSA-N 2 0 339.524 2.184 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000917098114 798076132 /nfs/dbraw/zinc/07/61/32/798076132.db2.gz RUNKTWLBSIEIPW-SFHVURJKSA-N 2 0 336.524 2.399 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492796 798090804 /nfs/dbraw/zinc/09/08/04/798090804.db2.gz BRELNFLENYIEGZ-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001084851308 798501547 /nfs/dbraw/zinc/50/15/47/798501547.db2.gz WXEVRRREFLFRFU-RTBURBONSA-N 2 0 345.531 2.301 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001176574398 798502126 /nfs/dbraw/zinc/50/21/26/798502126.db2.gz RRRXGUYTXYZNEF-HNNXBMFYSA-N 2 0 348.516 2.480 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@H](F)CC)CC1 ZINC001176739705 798543813 /nfs/dbraw/zinc/54/38/13/798543813.db2.gz YSDYFUZMSFVZQU-FUHWJXTLSA-N 2 0 339.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=C)C)C2)CC1 ZINC001112584138 806702686 /nfs/dbraw/zinc/70/26/86/806702686.db2.gz CJNODMCZCPHGCH-FPOVZHCZSA-N 2 0 343.515 2.126 20 30 EEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179591291 799998408 /nfs/dbraw/zinc/99/84/08/799998408.db2.gz STIOOKLRFZLFAP-IBGZPJMESA-N 2 0 339.499 2.488 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001179987128 800199988 /nfs/dbraw/zinc/19/99/88/800199988.db2.gz LCWUYMGLNUGLSN-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639723 800951810 /nfs/dbraw/zinc/95/18/10/800951810.db2.gz UVWWWYCCFRMOOV-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832373 801378936 /nfs/dbraw/zinc/37/89/36/801378936.db2.gz DAHRLEWFMZBIAL-ZCNNSNEGSA-N 2 0 341.499 2.441 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184556411 802070552 /nfs/dbraw/zinc/07/05/52/802070552.db2.gz PAYGMMZPGHZYBM-DZGCQCFKSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184891167 802230239 /nfs/dbraw/zinc/23/02/39/802230239.db2.gz BNQQOOMDUMCHFG-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185054271 802304562 /nfs/dbraw/zinc/30/45/62/802304562.db2.gz YBKHNVRFVUVJIA-HIFRSBDPSA-N 2 0 327.900 2.155 20 30 EEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCN(c3ccc(C#N)cn3)CC1)C2 ZINC001169147049 803637216 /nfs/dbraw/zinc/63/72/16/803637216.db2.gz RWICOINIAUNJIX-PIIMJCKOSA-N 2 0 325.460 2.091 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001086621926 810768371 /nfs/dbraw/zinc/76/83/71/810768371.db2.gz WLWJGYAOYHDMCQ-PKOBYXMFSA-N 2 0 338.455 2.421 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959266 1091651625 /nfs/dbraw/zinc/65/16/25/1091651625.db2.gz HZAZWLFIIZOFNB-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439215040 1091857885 /nfs/dbraw/zinc/85/78/85/1091857885.db2.gz LWESBTJLGVYEQL-ZDUSSCGKSA-N 2 0 346.313 2.254 20 30 EEEDRP C[N@H+](CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001439648321 1092572834 /nfs/dbraw/zinc/57/28/34/1092572834.db2.gz ZPOOJSPTUNQIFH-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001448986876 1093988686 /nfs/dbraw/zinc/98/86/86/1093988686.db2.gz XFAGSTGEXYHLFQ-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CN1C(=O)CCC[NH+](C)C ZINC001449036593 1094050160 /nfs/dbraw/zinc/05/01/60/1094050160.db2.gz WKXJMWXBNXSEAZ-YOEHRIQHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001496906513 1101701173 /nfs/dbraw/zinc/70/11/73/1101701173.db2.gz CWNQERMQUMQAFI-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001447258737 1102319313 /nfs/dbraw/zinc/31/93/13/1102319313.db2.gz NEWORLQUVYPSKS-UHFFFAOYSA-N 2 0 334.489 2.090 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001507329852 1115195508 /nfs/dbraw/zinc/19/55/08/1115195508.db2.gz WYURFPBJWRWUBP-KGLIPLIRSA-N 2 0 334.489 2.041 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416709 1115258626 /nfs/dbraw/zinc/25/86/26/1115258626.db2.gz QBVQOOXLYMUAOT-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001507425620 1115262229 /nfs/dbraw/zinc/26/22/29/1115262229.db2.gz CLNKQJUVCUBLII-HOTGVXAUSA-N 2 0 327.900 2.489 20 30 EEEDRP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105396793 781944323 /nfs/dbraw/zinc/94/43/23/781944323.db2.gz WHZZJJRTQSVGJI-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422830941 240251144 /nfs/dbraw/zinc/25/11/44/240251144.db2.gz JAKQHZPRPUGZDG-MTQWCTHYSA-N 2 0 335.536 2.432 20 30 EEEDRP Cc1oc(NC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000247569450 160329429 /nfs/dbraw/zinc/32/94/29/160329429.db2.gz LHUCUYOWCOGRQK-WBMJQRKESA-N 2 0 341.415 2.486 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437576216 267059152 /nfs/dbraw/zinc/05/91/52/267059152.db2.gz FLTUTEUONCTWLX-GOSISDBHSA-N 2 0 331.460 2.500 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155703 276377874 /nfs/dbraw/zinc/37/78/74/276377874.db2.gz MNJLOHOJWUVWMD-HOTGVXAUSA-N 3 0 349.548 2.274 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000104155208 277585433 /nfs/dbraw/zinc/58/54/33/277585433.db2.gz IGKWJWSNHPZUNR-LSDHHAIUSA-N 2 0 338.521 2.460 20 30 EEEDRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000556750865 318641753 /nfs/dbraw/zinc/64/17/53/318641753.db2.gz UJYCATIKXYWAOR-IBGZPJMESA-N 2 0 339.439 2.149 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N ZINC000564547442 319090329 /nfs/dbraw/zinc/09/03/29/319090329.db2.gz IQZCLRPRSSKYLO-IEBWSBKVSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000075763163 462758119 /nfs/dbraw/zinc/75/81/19/462758119.db2.gz WYZMKJGMECNSIF-IBGZPJMESA-N 2 0 329.488 2.060 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(-c2ccco2)n1 ZINC000123607843 463354839 /nfs/dbraw/zinc/35/48/39/463354839.db2.gz SDFTYWNMBLFSFA-CYBMUJFWSA-N 2 0 333.461 2.292 20 30 EEEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000071124261 463408695 /nfs/dbraw/zinc/40/86/95/463408695.db2.gz OAZVVPRGRBALOU-INIZCTEOSA-N 2 0 330.476 2.379 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(Br)c1 ZINC000261969068 463913553 /nfs/dbraw/zinc/91/35/53/463913553.db2.gz CJBYUQXDGGEBAX-LLVKDONJSA-N 2 0 345.310 2.399 20 30 EEEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181732994 464524188 /nfs/dbraw/zinc/52/41/88/464524188.db2.gz GMYUCDMJGWKEEK-FUHWJXTLSA-N 2 0 331.460 2.476 20 30 EEEDRP C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC[NH2+]C1 ZINC000593918224 468432543 /nfs/dbraw/zinc/43/25/43/468432543.db2.gz ATWUQZLUFYOABZ-HXUWFJFHSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000331024133 465901702 /nfs/dbraw/zinc/90/17/02/465901702.db2.gz NCKWKMGOROISLC-UHFFFAOYSA-N 2 0 333.436 2.052 20 30 EEEDRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000363509652 466447655 /nfs/dbraw/zinc/44/76/55/466447655.db2.gz HSOBYAJIOFVBPJ-LJQANCHMSA-N 2 0 342.487 2.167 20 30 EEEDRP C=CCc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(OC)c1O ZINC000414774000 467435112 /nfs/dbraw/zinc/43/51/12/467435112.db2.gz FBMOCYGCVFEWIZ-KRWDZBQOSA-N 2 0 346.471 2.317 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528397522 467682165 /nfs/dbraw/zinc/68/21/65/467682165.db2.gz QMKBWWJHXZASJA-BPQIPLTHSA-N 2 0 331.460 2.103 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391690 468164846 /nfs/dbraw/zinc/16/48/46/468164846.db2.gz VGDJRZXHXLWHSW-RTBURBONSA-N 2 0 345.487 2.202 20 30 EEEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000600742185 468645075 /nfs/dbraw/zinc/64/50/75/468645075.db2.gz BBLZVDOKFODEBI-IBGZPJMESA-N 2 0 343.471 2.010 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595432456 468850111 /nfs/dbraw/zinc/85/01/11/468850111.db2.gz LMBULEWWXBMWQF-UHFFFAOYSA-N 2 0 340.515 2.450 20 30 EEEDRP Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000596097137 469152953 /nfs/dbraw/zinc/15/29/53/469152953.db2.gz FEIRXGMTISPAHP-CABCVRRESA-N 2 0 346.523 2.766 20 30 EEEDRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000618752553 469438226 /nfs/dbraw/zinc/43/82/26/469438226.db2.gz DSGMWHYIJIWLOG-HXUWFJFHSA-N 2 0 326.488 2.467 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660596264 471407562 /nfs/dbraw/zinc/40/75/62/471407562.db2.gz BMZAMZLXBXUJCQ-KRWDZBQOSA-N 2 0 336.524 2.447 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180137 675922887 /nfs/dbraw/zinc/92/28/87/675922887.db2.gz LWXCKESWQBYBFW-OALUTQOASA-N 2 0 333.520 2.156 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624201 676278872 /nfs/dbraw/zinc/27/88/72/676278872.db2.gz SZZMLZGQKBNDAU-PKOBYXMFSA-N 2 0 336.439 2.284 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001024038989 679772513 /nfs/dbraw/zinc/77/25/13/679772513.db2.gz LXIVWHXVWBYBOE-RTBURBONSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028600822 681347601 /nfs/dbraw/zinc/34/76/01/681347601.db2.gz DWHHHZXFZAGJGY-OALUTQOASA-N 2 0 329.488 2.023 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833838 681358465 /nfs/dbraw/zinc/35/84/65/681358465.db2.gz QLRDYLAEBZHBDY-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642589 681950915 /nfs/dbraw/zinc/95/09/15/681950915.db2.gz RRIHLZPJMNUALH-JYRKZWEQSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982741663 682124093 /nfs/dbraw/zinc/12/40/93/682124093.db2.gz RYPOUCLVLACCJF-KDURUIRLSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC000992752096 683383264 /nfs/dbraw/zinc/38/32/64/683383264.db2.gz GZFIWMPCNSZXGV-IXDOHACOSA-N 2 0 330.476 2.146 20 30 EEEDRP CC(C)[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CC[NH+](C)CC1 ZINC000236680233 684321593 /nfs/dbraw/zinc/32/15/93/684321593.db2.gz VVLYRKVKASYOJJ-PXNSSMCTSA-N 2 0 344.503 2.339 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262378148 685699870 /nfs/dbraw/zinc/69/98/70/685699870.db2.gz JWUQRCQIMRUDSK-KSZLIROESA-N 2 0 348.535 2.396 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC(=C)Cl)CC2)CC1 ZINC000985803179 687727539 /nfs/dbraw/zinc/72/75/39/687727539.db2.gz CKSMDSDSQJQVPN-UHFFFAOYSA-N 2 0 337.895 2.007 20 30 EEEDRP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262763231 688384965 /nfs/dbraw/zinc/38/49/65/688384965.db2.gz GMLFXKMIQCWHAT-RRIFGTCXSA-N 2 0 336.524 2.108 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCC3CCCC3)C2)CC1 ZINC001032206501 1193087384 /nfs/dbraw/zinc/08/73/84/1193087384.db2.gz CFIDKLISFHYESX-UHFFFAOYSA-N 2 0 345.531 2.350 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088382134 1186753730 /nfs/dbraw/zinc/75/37/30/1186753730.db2.gz VDJQIBWZNAAHJZ-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001105447682 1187206931 /nfs/dbraw/zinc/20/69/31/1187206931.db2.gz LXMDFUCMZWTIHW-TYKWCNGQSA-N 2 0 341.499 2.156 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CCCC[NH+](C)C)CCO2 ZINC001105485585 1188102172 /nfs/dbraw/zinc/10/21/72/1188102172.db2.gz OVPIHRTXTIJYKU-UHFFFAOYSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579249 1188195002 /nfs/dbraw/zinc/19/50/02/1188195002.db2.gz NBWBVNKWWHNHSP-SFHVURJKSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC[C@@H](C)F)CC2)CC1 ZINC001752855106 1188464359 /nfs/dbraw/zinc/46/43/59/1188464359.db2.gz IZCLVEVDQBTPFU-FAEJEUNOSA-N 2 0 337.483 2.097 20 30 EEEDRP C#CCN1c2ccccc2[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272869770 1193585904 /nfs/dbraw/zinc/58/59/04/1193585904.db2.gz BEYOWLUITWBJEJ-OAQYLSRUSA-N 2 0 339.483 2.198 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001486129137 1193689507 /nfs/dbraw/zinc/68/95/07/1193689507.db2.gz MMYRLVKGXGQIAK-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001034045250 1195697085 /nfs/dbraw/zinc/69/70/85/1195697085.db2.gz IZQVUXKPLKKDKH-QGZVFWFLSA-N 2 0 337.895 2.007 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210983 1195949492 /nfs/dbraw/zinc/94/94/92/1195949492.db2.gz JVKHJQWVIWPJHJ-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369980 1199528839 /nfs/dbraw/zinc/52/88/39/1199528839.db2.gz VFYBSPPDPZFSQS-IRXDYDNUSA-N 2 0 339.524 2.326 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC=C)C2)CC1 ZINC001132517647 1199801224 /nfs/dbraw/zinc/80/12/24/1199801224.db2.gz GFAOSCIKYVGTMP-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001132554554 1199860179 /nfs/dbraw/zinc/86/01/79/1199860179.db2.gz IYULJBGTEQEWCN-LJQANCHMSA-N 2 0 344.503 2.402 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133011828 1200333256 /nfs/dbraw/zinc/33/32/56/1200333256.db2.gz NAURCVHAMSCSLS-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133338396 1200762794 /nfs/dbraw/zinc/76/27/94/1200762794.db2.gz VAHTYXQBPWWDHM-FXAWDEMLSA-N 2 0 345.531 2.206 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001114403643 1201640514 /nfs/dbraw/zinc/64/05/14/1201640514.db2.gz WGOSYBGAECCVPB-ZSYWTGECSA-N 2 0 331.504 2.406 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000129560218 1201844308 /nfs/dbraw/zinc/84/43/08/1201844308.db2.gz NIQHHCYTRQLQRK-KSZLIROESA-N 2 0 348.535 2.372 20 30 EEEDRP C#CCN(C)CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000883131164 1202017900 /nfs/dbraw/zinc/01/79/00/1202017900.db2.gz KNOIDFLVHJTFGH-UHFFFAOYSA-N 3 0 342.531 2.262 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccc(C#N)cc1)C2 ZINC001274892476 1205202139 /nfs/dbraw/zinc/20/21/39/1205202139.db2.gz RTMQBEAESXMHQM-UXHICEINSA-N 2 0 326.488 2.059 20 30 EEEDRP C#Cc1ccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1 ZINC001275131765 1205264144 /nfs/dbraw/zinc/26/41/44/1205264144.db2.gz IRWSHWUERSIRQM-UHFFFAOYSA-N 2 0 334.467 2.462 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327385 1205309977 /nfs/dbraw/zinc/30/99/77/1205309977.db2.gz PZVXDGDIPVTMEV-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=CCCCCC[NH+]1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001276036577 1205644178 /nfs/dbraw/zinc/64/41/78/1205644178.db2.gz VGLGUSJSPWWUQD-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCC(C)C)CC2)CC1 ZINC001006445276 1209766123 /nfs/dbraw/zinc/76/61/23/1209766123.db2.gz GQCVPEBKAONNJL-UHFFFAOYSA-N 2 0 333.520 2.301 20 30 EEEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303885430 1213920934 /nfs/dbraw/zinc/92/09/34/1213920934.db2.gz NDRPSOCKZUKSOZ-QZTJIDSGSA-N 2 0 339.572 2.379 20 30 EEEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303885428 1213921187 /nfs/dbraw/zinc/92/11/87/1213921187.db2.gz NDRPSOCKZUKSOZ-MSOLQXFVSA-N 2 0 339.572 2.379 20 30 EEEDRP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])NCCc1ccccc1 ZINC000303896415 1213922400 /nfs/dbraw/zinc/92/24/00/1213922400.db2.gz ULMSMOGDEGUBRV-UHFFFAOYSA-N 2 0 340.471 2.274 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303252186 1215784039 /nfs/dbraw/zinc/78/40/39/1215784039.db2.gz BFXUCAWGFINRAI-QGZVFWFLSA-N 2 0 331.508 2.210 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000304762537 1216104368 /nfs/dbraw/zinc/10/43/68/1216104368.db2.gz VTRVKQHKHLBDHX-OAHLLOKOSA-N 2 0 349.910 2.119 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961412668 1217179995 /nfs/dbraw/zinc/17/99/95/1217179995.db2.gz UIJAMMPUWYUOHZ-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963381691 1217577884 /nfs/dbraw/zinc/57/78/84/1217577884.db2.gz BQDSZPIRLDEBNF-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000963830428 1218062411 /nfs/dbraw/zinc/06/24/11/1218062411.db2.gz NVRPUTOYSJKOSQ-KBMGIXFMSA-N 2 0 325.884 2.096 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016621285 1226694352 /nfs/dbraw/zinc/69/43/52/1226694352.db2.gz NWITWPXAQGLLCN-MSOLQXFVSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@@H](C)CC)CC3)CC1 ZINC001016987746 1227015869 /nfs/dbraw/zinc/01/58/69/1227015869.db2.gz ZYIZYIHXZQPBER-HKUYNNGSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC[C@H](C)F)CC3)CC1 ZINC001016987143 1227016172 /nfs/dbraw/zinc/01/61/72/1227016172.db2.gz VSFIGOPBQIUYEK-FUHWJXTLSA-N 2 0 349.494 2.050 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054664620 1248828732 /nfs/dbraw/zinc/82/87/32/1248828732.db2.gz YSMVXKBCTUNYAN-ZFWWWQNUSA-N 2 0 327.900 2.440 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020214241 1229559080 /nfs/dbraw/zinc/55/90/80/1229559080.db2.gz NGQNHTQJVXSQBP-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001020355327 1229643143 /nfs/dbraw/zinc/64/31/43/1229643143.db2.gz YGNPVGMNZNXSKI-IYARVYRRSA-N 2 0 345.406 2.257 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039164992 1230386883 /nfs/dbraw/zinc/38/68/83/1230386883.db2.gz JMXNXXJUVZFQKL-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)CC1 ZINC001040014273 1230964299 /nfs/dbraw/zinc/96/42/99/1230964299.db2.gz IUJYNIXCNLMARA-KDURUIRLSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279969 1231149406 /nfs/dbraw/zinc/14/94/06/1231149406.db2.gz BPEPQSCGJYOKKM-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912562 1231402708 /nfs/dbraw/zinc/40/27/08/1231402708.db2.gz QTTMWHZAWCMUDV-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348184 1231514491 /nfs/dbraw/zinc/51/44/91/1231514491.db2.gz GYKVRTJEBJQVGT-UYAOXDASSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421870 1231540062 /nfs/dbraw/zinc/54/00/62/1231540062.db2.gz LAAXFHRXVNXXEP-FQEVSTJZSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041852868 1231733393 /nfs/dbraw/zinc/73/33/93/1231733393.db2.gz YSPZKHYAUYDNGY-HXUWFJFHSA-N 2 0 343.471 2.293 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063463 1231861969 /nfs/dbraw/zinc/86/19/69/1231861969.db2.gz XGUKLRRIHVNXQW-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC4CC4)[C@H]3C2)CC1 ZINC001042369414 1232051063 /nfs/dbraw/zinc/05/10/63/1232051063.db2.gz XTSYZVGQBJSGRS-QUCCMNQESA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045200863 1233577023 /nfs/dbraw/zinc/57/70/23/1233577023.db2.gz SPCQQNQEMQFCLB-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH+]1CCC(C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001045499915 1233781244 /nfs/dbraw/zinc/78/12/44/1233781244.db2.gz KFQCBJLCQDIVMV-UHFFFAOYSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965635 1234244465 /nfs/dbraw/zinc/24/44/65/1234244465.db2.gz JTVLHEQPOXIFBN-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972038 1234256071 /nfs/dbraw/zinc/25/60/71/1234256071.db2.gz VHHXHWVCTOTDAV-OAQYLSRUSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046317948 1234663087 /nfs/dbraw/zinc/66/30/87/1234663087.db2.gz JITSMIYMQUCQPO-XLIONFOSSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256482 1235759667 /nfs/dbraw/zinc/75/96/67/1235759667.db2.gz KWISASCQRAJFIR-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000902376474 1237483774 /nfs/dbraw/zinc/48/37/74/1237483774.db2.gz NOMKWTBTMVFYLB-MSOLQXFVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000262206 1240110225 /nfs/dbraw/zinc/11/02/25/1240110225.db2.gz SJUNMJWOORNKQT-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478557 1241076887 /nfs/dbraw/zinc/07/68/87/1241076887.db2.gz PTGWZZKQVFCEQW-CEXWTWQISA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677647 1241851748 /nfs/dbraw/zinc/85/17/48/1241851748.db2.gz VNVBBIJEDITEGK-IRXDYDNUSA-N 2 0 329.444 2.043 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H](F)CC)CC1 ZINC001049909739 1242658392 /nfs/dbraw/zinc/65/83/92/1242658392.db2.gz CDLJDCKLLAZETG-OTWHNJEPSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049913587 1242678163 /nfs/dbraw/zinc/67/81/63/1242678163.db2.gz DDMBRQBHIKZUBX-IPMKNSEASA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047967 1242718565 /nfs/dbraw/zinc/71/85/65/1242718565.db2.gz WGYWLPDNHCFFNU-GBESFXJTSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001050700422 1244154956 /nfs/dbraw/zinc/15/49/56/1244154956.db2.gz HJCUSLGJGGFEJC-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050729767 1244233248 /nfs/dbraw/zinc/23/32/48/1244233248.db2.gz BJLYOIHFTUTVMP-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC1 ZINC001050740852 1244258313 /nfs/dbraw/zinc/25/83/13/1244258313.db2.gz XDLUUCALDGGGKV-FQEVSTJZSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291136 1245487098 /nfs/dbraw/zinc/48/70/98/1245487098.db2.gz LPJPUYJVCYYAFG-VQIMIIECSA-N 2 0 339.483 2.024 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096415 1245893523 /nfs/dbraw/zinc/89/35/23/1245893523.db2.gz SXHKQGGSTQFBEC-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001101541807 1245944798 /nfs/dbraw/zinc/94/47/98/1245944798.db2.gz WFXVXOWRWRMWLM-SFHVURJKSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054181846 1247633656 /nfs/dbraw/zinc/63/36/56/1247633656.db2.gz AFHBGVMVEAASDJ-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245198 1247862187 /nfs/dbraw/zinc/86/21/87/1247862187.db2.gz PSOCHMXPMYGUNE-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099111948 1257972159 /nfs/dbraw/zinc/97/21/59/1257972159.db2.gz WUVQTMLSJQOTRY-ICSRJNTNSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001186196027 1278985142 /nfs/dbraw/zinc/98/51/42/1278985142.db2.gz CZGUBTIKWHZZTB-IEBWSBKVSA-N 2 0 347.478 2.485 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200976626 1287225494 /nfs/dbraw/zinc/22/54/94/1287225494.db2.gz VYERXVCRGLXRSO-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001187240241 1279446827 /nfs/dbraw/zinc/44/68/27/1279446827.db2.gz IYGLHPOHHDAMJC-LJQANCHMSA-N 2 0 345.462 2.100 20 30 EEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408118 1282474042 /nfs/dbraw/zinc/47/40/42/1282474042.db2.gz DPENIAOAFCIUQM-ICSRJNTNSA-N 2 0 327.472 2.019 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1OC ZINC001198759132 1285344471 /nfs/dbraw/zinc/34/44/71/1285344471.db2.gz CCPQYRZSAPZSBQ-INIZCTEOSA-N 2 0 331.460 2.112 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885281 1285411152 /nfs/dbraw/zinc/41/11/52/1285411152.db2.gz CRCSJZIMXCHOMA-SJLPKXTDSA-N 2 0 333.476 2.214 20 30 EEEDRP C#CCC[NH2+][C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198969788 1285452063 /nfs/dbraw/zinc/45/20/63/1285452063.db2.gz WSLBAHITXHTVDQ-GOSISDBHSA-N 2 0 345.487 2.197 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201389538 1289554449 /nfs/dbraw/zinc/55/44/49/1289554449.db2.gz MFDMABITZWYVKO-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP N#Cc1cccc(C(F)(F)F)c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218951763 1297879780 /nfs/dbraw/zinc/87/97/80/1297879780.db2.gz SEDMTYNBSSPNNP-NSHDSACASA-N 2 0 328.338 2.362 20 30 EEEDRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)cc1 ZINC001219022680 1297909456 /nfs/dbraw/zinc/90/94/56/1297909456.db2.gz PQHHUNRRQMBATQ-IBGZPJMESA-N 2 0 336.439 2.171 20 30 EEEDRP N#CC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643333 1298485656 /nfs/dbraw/zinc/48/56/56/1298485656.db2.gz ASAGAWTWBNEAQQ-SFHVURJKSA-N 2 0 340.471 2.051 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227793097 1301968218 /nfs/dbraw/zinc/96/82/18/1301968218.db2.gz ZZWREFISQYTPSE-SFHVURJKSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001229504282 1302821695 /nfs/dbraw/zinc/82/16/95/1302821695.db2.gz TZUIKWXSMKNYBU-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230597993 1303304282 /nfs/dbraw/zinc/30/42/82/1303304282.db2.gz BUULNFPRFCLMLI-RTBURBONSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001111875945 1304039373 /nfs/dbraw/zinc/03/93/73/1304039373.db2.gz LTPPMJKSIBMTHI-HBFSDRIKSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001277758512 1304355046 /nfs/dbraw/zinc/35/50/46/1304355046.db2.gz NYSVPPNSERWECI-UHFFFAOYSA-N 2 0 345.491 2.491 20 30 EEEDRP C=CCCCC[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001277789107 1304504215 /nfs/dbraw/zinc/50/42/15/1304504215.db2.gz QUKWFJMFRSZZKM-UHFFFAOYSA-N 2 0 345.491 2.252 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598760 1305481563 /nfs/dbraw/zinc/48/15/63/1305481563.db2.gz XVGNJLOHFKQUJA-QGZVFWFLSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C(C)C[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCCCC1 ZINC001115795664 1305795883 /nfs/dbraw/zinc/79/58/83/1305795883.db2.gz QAYSJSWTMXEEHD-UHFFFAOYSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422845 1309524684 /nfs/dbraw/zinc/52/46/84/1309524684.db2.gz PEPCGLLMRBCWGH-HOTGVXAUSA-N 2 0 327.900 2.394 20 30 EEEDRP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246956502 1310477541 /nfs/dbraw/zinc/47/75/41/1310477541.db2.gz XLQBYVBDVPBBIC-KDOFPFPSSA-N 2 0 341.459 2.285 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930378 1314739122 /nfs/dbraw/zinc/73/91/22/1314739122.db2.gz ULJWJMBAELIHMN-DLBZAZTESA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001149946777 1316098697 /nfs/dbraw/zinc/09/86/97/1316098697.db2.gz PEJIVJHIUTUJFE-SFHVURJKSA-N 2 0 342.443 2.121 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150777917 1316372254 /nfs/dbraw/zinc/37/22/54/1316372254.db2.gz HLUMNFSPSKRREH-GOSISDBHSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001151174530 1316466964 /nfs/dbraw/zinc/46/69/64/1316466964.db2.gz DKTCLHZSLTZSGT-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001152334329 1316658211 /nfs/dbraw/zinc/65/82/11/1316658211.db2.gz AODGJFHUHKTCFF-HNNXBMFYSA-N 2 0 347.890 2.452 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033789 1316941194 /nfs/dbraw/zinc/94/11/94/1316941194.db2.gz MWGHYLMHHJUIBW-PBHICJAKSA-N 2 0 348.516 2.431 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001252481584 1317613727 /nfs/dbraw/zinc/61/37/27/1317613727.db2.gz DHKISPXRICEZDG-UAFMIMERSA-N 2 0 330.472 2.050 20 30 EEEDRP C[NH+]1CCN(CC[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254342318 1318047078 /nfs/dbraw/zinc/04/70/78/1318047078.db2.gz NTYAIQBQMBOXQL-UHFFFAOYSA-N 2 0 344.478 2.367 20 30 EEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256622254 1318804840 /nfs/dbraw/zinc/80/48/40/1318804840.db2.gz GGRNTAWUHUHADE-SJPCQFCGSA-N 2 0 333.476 2.332 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC001158030575 1318978056 /nfs/dbraw/zinc/97/80/56/1318978056.db2.gz UTTNBCCKKLMEJG-RBUKOAKNSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+]1CCC(N(c2ccc(Cl)c(C#N)n2)C2CC[NH2+]CC2)CC1 ZINC001158575784 1319316077 /nfs/dbraw/zinc/31/60/77/1319316077.db2.gz VMWFVJQAIXDONP-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161599509 1320553942 /nfs/dbraw/zinc/55/39/42/1320553942.db2.gz ZDWLZGSNAPORPN-UHFFFAOYSA-N 2 0 349.519 2.202 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001161860534 1320651747 /nfs/dbraw/zinc/65/17/47/1320651747.db2.gz WTLJMKGYFQLICK-UHFFFAOYSA-N 2 0 333.395 2.116 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001162836886 1320971051 /nfs/dbraw/zinc/97/10/51/1320971051.db2.gz VRUILHWFRJKYQM-FQEVSTJZSA-N 2 0 341.499 2.155 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001163001717 1321010381 /nfs/dbraw/zinc/01/03/81/1321010381.db2.gz LZVROGKTQGGQPX-OALUTQOASA-N 2 0 341.499 2.153 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165980452 1321629745 /nfs/dbraw/zinc/62/97/45/1321629745.db2.gz GSMPGGDKBRRDEC-UHFFFAOYSA-N 2 0 325.884 2.243 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F)[NH+](CC)CC ZINC001166432967 1321719037 /nfs/dbraw/zinc/71/90/37/1321719037.db2.gz RTMKTPMSLBKZSO-SFHVURJKSA-N 2 0 348.466 2.414 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448517 1323138838 /nfs/dbraw/zinc/13/88/38/1323138838.db2.gz HKTDFUJGAKLCML-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206275172 1323443867 /nfs/dbraw/zinc/44/38/67/1323443867.db2.gz PELMVXGFNUUNQH-GOSISDBHSA-N 2 0 325.472 2.213 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210216878 1325202299 /nfs/dbraw/zinc/20/22/99/1325202299.db2.gz AXSDVWQDIZVYEO-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCO1 ZINC001200858708 1338690893 /nfs/dbraw/zinc/69/08/93/1338690893.db2.gz IBXPUIDJJJKUGI-KRWDZBQOSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001566773586 1342628375 /nfs/dbraw/zinc/62/83/75/1342628375.db2.gz MBLGIFOUQKRWIO-IBGZPJMESA-N 2 0 329.488 2.318 20 30 EEEDRP C#Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC001574757363 1343697155 /nfs/dbraw/zinc/69/71/55/1343697155.db2.gz MYGGYOOIMKFHTN-IBGZPJMESA-N 2 0 349.482 2.180 20 30 EEEDRP C=CC1(CC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[NH2+]C1 ZINC001574879447 1343708079 /nfs/dbraw/zinc/70/80/79/1343708079.db2.gz AHIQJLNMXQMQTL-MRXNPFEDSA-N 2 0 327.472 2.494 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001394719868 1390744712 /nfs/dbraw/zinc/74/47/12/1390744712.db2.gz VXUWKQVCARJJGS-HOTGVXAUSA-N 2 0 327.900 2.345 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557585 1368820104 /nfs/dbraw/zinc/82/01/04/1368820104.db2.gz IKFQDTCKMZLSMG-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001121995041 1371938979 /nfs/dbraw/zinc/93/89/79/1371938979.db2.gz OIKAMGNXKBPSAJ-UHFFFAOYSA-N 2 0 331.504 2.147 20 30 EEEDRP CCCCCCCCNC(=[NH2+])NCC(C)(C)N1CC[NH+](C)CC1 ZINC000849055033 1373202659 /nfs/dbraw/zinc/20/26/59/1373202659.db2.gz ULRQHBBLELYHLZ-UHFFFAOYSA-N 2 0 325.545 2.487 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001369573383 1374576730 /nfs/dbraw/zinc/57/67/30/1374576730.db2.gz CBZYPZGJMUAOLV-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001378205004 1379785574 /nfs/dbraw/zinc/78/55/74/1379785574.db2.gz VRMNTAHDNNEKGG-KBXCAEBGSA-N 2 0 348.466 2.220 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001379700563 1380830664 /nfs/dbraw/zinc/83/06/64/1380830664.db2.gz ADSGDQVKXPCISO-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@H](C(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001380293699 1381155980 /nfs/dbraw/zinc/15/59/80/1381155980.db2.gz IIOCOMRYYCHTOI-GOSISDBHSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001380294002 1381157704 /nfs/dbraw/zinc/15/77/04/1381157704.db2.gz LDLKEHNVCMHZEF-MRXNPFEDSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccc(C#N)c1 ZINC001390918327 1388876310 /nfs/dbraw/zinc/87/63/10/1388876310.db2.gz YXOVOBHFUPTJHE-SFHVURJKSA-N 2 0 330.476 2.083 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392522480 1390078499 /nfs/dbraw/zinc/07/84/99/1390078499.db2.gz YBZWFIJCMAZGNZ-OAHLLOKOSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001392973557 1390269724 /nfs/dbraw/zinc/26/97/24/1390269724.db2.gz CIKYKENNGYVVIH-MRXNPFEDSA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001393746967 1390526696 /nfs/dbraw/zinc/52/66/96/1390526696.db2.gz LAVPSPKQJKLTRJ-GXTWGEPZSA-N 2 0 346.313 2.063 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001394719876 1390744765 /nfs/dbraw/zinc/74/47/65/1390744765.db2.gz VXUWKQVCARJJGS-JKSUJKDBSA-N 2 0 327.900 2.345 20 30 EEEDRP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001400720954 1396555463 /nfs/dbraw/zinc/55/54/63/1396555463.db2.gz JKEOPJFBUPIGCV-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001401068913 1396900912 /nfs/dbraw/zinc/90/09/12/1396900912.db2.gz CUDNSKDITXIJPC-KRWDZBQOSA-N 2 0 327.900 2.345 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001402051035 1397736726 /nfs/dbraw/zinc/73/67/26/1397736726.db2.gz ITBIIEUQJMTMKD-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001402152309 1397799420 /nfs/dbraw/zinc/79/94/20/1397799420.db2.gz DXGBOBACVVFDHM-SJLPKXTDSA-N 2 0 346.500 2.042 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001402168211 1397812150 /nfs/dbraw/zinc/81/21/50/1397812150.db2.gz DUHRFSOWHKZMIF-FQEVSTJZSA-N 2 0 342.487 2.228 20 30 EEEDRP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC=C)CC1 ZINC001754638955 1406937254 /nfs/dbraw/zinc/93/72/54/1406937254.db2.gz QFKUTNXHOSHCIR-GOSISDBHSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001755186075 1407191170 /nfs/dbraw/zinc/19/11/70/1407191170.db2.gz FDLYVQNOHKSTEW-MTQWCTHYSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001755316513 1407314107 /nfs/dbraw/zinc/31/41/07/1407314107.db2.gz MVQQTCFFVAWKOT-QRQLOZEOSA-N 2 0 329.488 2.344 20 30 EEEDRP C#CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC001574518148 1403521977 /nfs/dbraw/zinc/52/19/77/1403521977.db2.gz VSZQJWNDZKHTKF-UZLBHIALSA-N 2 0 327.472 2.378 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC001574969889 1403529749 /nfs/dbraw/zinc/52/97/49/1403529749.db2.gz NTZVYAJTUJGNNV-QGZVFWFLSA-N 2 0 329.444 2.149 20 30 EEEDRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001576971327 1403616833 /nfs/dbraw/zinc/61/68/33/1403616833.db2.gz PIBMYRLHMXBPMJ-MAUKXSAKSA-N 2 0 330.476 2.212 20 30 EEEDRP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700669056 1405656715 /nfs/dbraw/zinc/65/67/15/1405656715.db2.gz IHBXESYASWVBHW-PKOBYXMFSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001755722596 1407782943 /nfs/dbraw/zinc/78/29/43/1407782943.db2.gz JAXIYEDXSUCRGF-YSIASYRMSA-N 2 0 341.499 2.057 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755852300 1407905666 /nfs/dbraw/zinc/90/56/66/1407905666.db2.gz RJNHQFFOFUMUNY-KBPBESRZSA-N 2 0 335.414 2.273 20 30 EEEDRP CCCCNC(=[NH2+])NCc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000303865043 1409791935 /nfs/dbraw/zinc/79/19/35/1409791935.db2.gz BNOBQKGKSYMVLA-UHFFFAOYSA-N 2 0 331.508 2.029 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089863406 782297949 /nfs/dbraw/zinc/29/79/49/782297949.db2.gz ZQCMBPVEFAFMDF-OKYOBFRVSA-N 2 0 345.531 2.463 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291322 758129817 /nfs/dbraw/zinc/12/98/17/758129817.db2.gz MGYHTZOLHLAZHB-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001167608780 760722295 /nfs/dbraw/zinc/72/22/95/760722295.db2.gz IPEWFMQHXHQMRP-HNNXBMFYSA-N 2 0 348.516 2.480 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627528 760768514 /nfs/dbraw/zinc/76/85/14/760768514.db2.gz PDROINUADYXBOG-AWEZNQCLSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530371 782631266 /nfs/dbraw/zinc/63/12/66/782631266.db2.gz RAXDAZQCTSBAAF-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993817 782737055 /nfs/dbraw/zinc/73/70/55/782737055.db2.gz FDNKKKJIHICYDV-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001112528509 770300565 /nfs/dbraw/zinc/30/05/65/770300565.db2.gz FZMZSDOWMYSPLG-BJLQDIEVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203228338 770754200 /nfs/dbraw/zinc/75/42/00/770754200.db2.gz AJLOOENNNYYKLX-IRXDYDNUSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCC(=C)C)CC[C@@H]3C2)CC1 ZINC001088212136 783063411 /nfs/dbraw/zinc/06/34/11/783063411.db2.gz RHKFUAUFRKRPAI-UXHICEINSA-N 2 0 343.515 2.078 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979997895 773686259 /nfs/dbraw/zinc/68/62/59/773686259.db2.gz GACOWJLIFJPAGM-GBESFXJTSA-N 2 0 343.515 2.102 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216945 774128270 /nfs/dbraw/zinc/12/82/70/774128270.db2.gz SMISBXCXHQJBCP-RCCFBDPRSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958309 778670129 /nfs/dbraw/zinc/67/01/29/778670129.db2.gz HUWWOSYPLVGAND-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP N#CCOc1ccc(Br)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879092 778965236 /nfs/dbraw/zinc/96/52/36/778965236.db2.gz SFSPINPWCKGSRN-UHFFFAOYSA-N 2 0 340.225 2.027 20 30 EEEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982280136 779519650 /nfs/dbraw/zinc/51/96/50/779519650.db2.gz WGPYIIUWEOZQKA-YSIASYRMSA-N 2 0 331.504 2.075 20 30 EEEDRP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296250 779606804 /nfs/dbraw/zinc/60/68/04/779606804.db2.gz NITAVVRYCNDGNB-NRSPTQNISA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443632 780279379 /nfs/dbraw/zinc/27/93/79/780279379.db2.gz XBEAYGAGIDWURY-WOJBJXKFSA-N 2 0 339.483 2.080 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101090 781723625 /nfs/dbraw/zinc/72/36/25/781723625.db2.gz QJPMVSJHQJPJPE-ZBFHGGJFSA-N 2 0 333.501 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315469 783483561 /nfs/dbraw/zinc/48/35/61/783483561.db2.gz YICOCKNDNAAJDR-IRXDYDNUSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001088326765 783514509 /nfs/dbraw/zinc/51/45/09/783514509.db2.gz XNTKZOBFWAATJS-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135372287 783662004 /nfs/dbraw/zinc/66/20/04/783662004.db2.gz QDMSOVKTMMQQGT-KGLIPLIRSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260146 784215182 /nfs/dbraw/zinc/21/51/82/784215182.db2.gz OPQFDDODQBBBMX-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706827 784989626 /nfs/dbraw/zinc/98/96/26/784989626.db2.gz RDHVCMDIQYUUNM-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@](C)(c1ccccc1)[NH+](C)C)CC2 ZINC001035837590 785260434 /nfs/dbraw/zinc/26/04/34/785260434.db2.gz LRZFQEMUICQSGB-FQEVSTJZSA-N 2 0 339.483 2.021 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995993443 785912558 /nfs/dbraw/zinc/91/25/58/785912558.db2.gz AXFRDUNQSHDJBX-CQSZACIVSA-N 2 0 325.884 2.194 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996333941 786278180 /nfs/dbraw/zinc/27/81/80/786278180.db2.gz HVLYJTDJLKXWMZ-QYZOEREBSA-N 2 0 341.499 2.344 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543893 787564790 /nfs/dbraw/zinc/56/47/90/787564790.db2.gz BOIMXHHRUYJMJX-NLWGTHIKSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609268 787896455 /nfs/dbraw/zinc/89/64/55/787896455.db2.gz LOYXEYJTLWOKMK-LZLYRXPVSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861274 788880866 /nfs/dbraw/zinc/88/08/66/788880866.db2.gz DDWKGLAPOSSDNE-HDICACEKSA-N 2 0 331.504 2.219 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358930 789434114 /nfs/dbraw/zinc/43/41/14/789434114.db2.gz MXXLHDRIILIUMT-CEXWTWQISA-N 2 0 343.471 2.010 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796734 806004859 /nfs/dbraw/zinc/00/48/59/806004859.db2.gz CBTJARYJBACQMJ-RDGPPVDQSA-N 2 0 349.519 2.175 20 30 EEEDRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000997854320 791286514 /nfs/dbraw/zinc/28/65/14/791286514.db2.gz BNSOSJMWISMRJC-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001146584479 791336860 /nfs/dbraw/zinc/33/68/60/791336860.db2.gz SMTQXOPUUSLLSS-ZWKOTPCHSA-N 2 0 341.499 2.405 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591878 791360415 /nfs/dbraw/zinc/36/04/15/791360415.db2.gz HUYVDUFIHHVQFH-SJORKVTESA-N 2 0 347.478 2.390 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001147823914 791982205 /nfs/dbraw/zinc/98/22/05/791982205.db2.gz GPUBPNJOPGLMMS-DOTOQJQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098887 792110621 /nfs/dbraw/zinc/11/06/21/792110621.db2.gz YSFCMBRMCVXYQZ-IAGOWNOFSA-N 2 0 339.499 2.296 20 30 EEEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992978 792113924 /nfs/dbraw/zinc/11/39/24/792113924.db2.gz RBJXYLKQHQTJAX-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998270673 792411331 /nfs/dbraw/zinc/41/13/31/792411331.db2.gz VGNBLPQGUDFPOO-GJZGRUSLSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC000998304197 792513986 /nfs/dbraw/zinc/51/39/86/792513986.db2.gz MSKNFCPKCSJPDK-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992409723 793995080 /nfs/dbraw/zinc/99/50/80/793995080.db2.gz UDKAKDBSIXEMON-PZJWPPBQSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000999389777 794400940 /nfs/dbraw/zinc/40/09/40/794400940.db2.gz CGMXFTHJNRLSLS-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@@H](C)CC)CC3)CC1 ZINC000992511238 794460238 /nfs/dbraw/zinc/46/02/38/794460238.db2.gz QMJSUDISYUXLAD-CUWPLCDZSA-N 2 0 345.531 2.491 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001079300977 794539181 /nfs/dbraw/zinc/53/91/81/794539181.db2.gz YFVFTVFRYNZOSF-QXAKKESOSA-N 2 0 345.462 2.380 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999667251 794800886 /nfs/dbraw/zinc/80/08/86/794800886.db2.gz KFZQJODUJNVRRL-CQSZACIVSA-N 2 0 345.834 2.214 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001093224319 794879396 /nfs/dbraw/zinc/87/93/96/794879396.db2.gz QALPKIKHUQONFH-ZHALLVOQSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001093378456 795114942 /nfs/dbraw/zinc/11/49/42/795114942.db2.gz OHWOZWXSAYJZET-XLIONFOSSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271455 795319194 /nfs/dbraw/zinc/31/91/94/795319194.db2.gz GASKCMARBJKNCV-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108033957 796070029 /nfs/dbraw/zinc/07/00/29/796070029.db2.gz PSIZERCYSPNENR-QFBILLFUSA-N 2 0 339.524 2.279 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC001106674113 796081687 /nfs/dbraw/zinc/08/16/87/796081687.db2.gz SGIQXJTZZOAILG-RLLQIKCJSA-N 2 0 341.499 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC=C)CC3)CC1 ZINC001094581861 796422173 /nfs/dbraw/zinc/42/21/73/796422173.db2.gz HDRNHAZIUATNKB-TZIWHRDSSA-N 2 0 343.515 2.269 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585088 796467870 /nfs/dbraw/zinc/46/78/70/796467870.db2.gz MXOGYQSSLGZRSP-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585131 796468589 /nfs/dbraw/zinc/46/85/89/796468589.db2.gz OFLZVLQRDUVLQZ-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078656958 796777768 /nfs/dbraw/zinc/77/77/68/796777768.db2.gz NGTLIJOMIADJOA-DLBZAZTESA-N 2 0 331.504 2.456 20 30 EEEDRP COCCC[NH+]1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001172247945 796941288 /nfs/dbraw/zinc/94/12/88/796941288.db2.gz RDQYJBWFNBJNPN-UHFFFAOYSA-N 2 0 331.460 2.418 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172311588 796952517 /nfs/dbraw/zinc/95/25/17/796952517.db2.gz VLBGRVMHJQITPG-SFHVURJKSA-N 2 0 326.488 2.203 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001094945432 797079812 /nfs/dbraw/zinc/07/98/12/797079812.db2.gz CIDPSHIALRQKOP-BZSNNMDCSA-N 2 0 331.504 2.408 20 30 EEEDRP C[NH+]1CCC2(C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)CC1 ZINC001172989500 797183524 /nfs/dbraw/zinc/18/35/24/797183524.db2.gz HIQMEDSJCGCMTG-HOTGVXAUSA-N 2 0 348.491 2.306 20 30 EEEDRP C[N@@H+]1CC[C@]2(CCN([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)C1 ZINC001172992053 797201650 /nfs/dbraw/zinc/20/16/50/797201650.db2.gz PWETXBIVTGMTBJ-BXWFABGCSA-N 2 0 348.491 2.306 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862656 797479886 /nfs/dbraw/zinc/47/98/86/797479886.db2.gz NOQVAWKIHPALBL-MBOZVWFJSA-N 2 0 329.488 2.334 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271391 798063274 /nfs/dbraw/zinc/06/32/74/798063274.db2.gz AWOUURJCYXRWHO-QGZVFWFLSA-N 2 0 339.524 2.186 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346260 798160545 /nfs/dbraw/zinc/16/05/45/798160545.db2.gz DHZHCVFEVCBDMS-WSTZPKSXSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176844553 798588102 /nfs/dbraw/zinc/58/81/02/798588102.db2.gz KVJLHCWGMOSWPU-IRXDYDNUSA-N 2 0 345.462 2.146 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001176925845 798630306 /nfs/dbraw/zinc/63/03/06/798630306.db2.gz CLHAXWUKKRNONC-UHFFFAOYSA-N 2 0 341.499 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C/C=C/Cl)[C@H]3C2)CC1 ZINC001085100508 798674219 /nfs/dbraw/zinc/67/42/19/798674219.db2.gz IICQWIFFDCKTIC-FQYGRFKFSA-N 2 0 349.906 2.007 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001178045257 799229127 /nfs/dbraw/zinc/22/91/27/799229127.db2.gz HLXNLIDZGYVTHC-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045371 799230370 /nfs/dbraw/zinc/23/03/70/799230370.db2.gz JTLQGVFAPLXNGD-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP C=CCC[NH2+]CCCCCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001178818267 799657648 /nfs/dbraw/zinc/65/76/48/799657648.db2.gz BHJPPEBZSLJISR-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001179371069 799903938 /nfs/dbraw/zinc/90/39/38/799903938.db2.gz IWICYADJYRVOKC-MRXNPFEDSA-N 2 0 345.915 2.114 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]CC#Cc1ccccc1 ZINC001182486486 801225293 /nfs/dbraw/zinc/22/52/93/801225293.db2.gz OTJCXFANYVBQII-WIYYLYMNSA-N 2 0 341.499 2.064 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001183091314 801454165 /nfs/dbraw/zinc/45/41/65/801454165.db2.gz CPVADCXGMXTYHK-IBGZPJMESA-N 2 0 327.472 2.419 20 30 EEEDRP N#Cc1ccc(F)cc1CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361473 801761843 /nfs/dbraw/zinc/76/18/43/801761843.db2.gz IBXXIEFYJHXERF-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001085987053 801840201 /nfs/dbraw/zinc/84/02/01/801840201.db2.gz SGOILYIBHWLZIY-GOSISDBHSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230637 802168965 /nfs/dbraw/zinc/16/89/65/802168965.db2.gz OTSAJAKLVMUWPC-ROUUACIJSA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621011 802254981 /nfs/dbraw/zinc/25/49/81/802254981.db2.gz GOAPFIYLIYZITA-IYBDPMFKSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004538870 802309204 /nfs/dbraw/zinc/30/92/04/802309204.db2.gz CHPQKGBRUPXVNA-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108421698 803533159 /nfs/dbraw/zinc/53/31/59/803533159.db2.gz SQXSPMHTCWCAIR-PKOBYXMFSA-N 2 0 337.508 2.034 20 30 EEEDRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001130614955 811843353 /nfs/dbraw/zinc/84/33/53/811843353.db2.gz GKQJLPNYPFFKPE-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001438499833 1090994887 /nfs/dbraw/zinc/99/48/87/1090994887.db2.gz QLNAHFXBFPXYIB-AWEZNQCLSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438508581 1091001675 /nfs/dbraw/zinc/00/16/75/1091001675.db2.gz YSYQBVXACDVNMA-RDTXWAMCSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439333879 1092023908 /nfs/dbraw/zinc/02/39/08/1092023908.db2.gz UCONJDVNRXEJAX-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001439787578 1092745391 /nfs/dbraw/zinc/74/53/91/1092745391.db2.gz FYBREJVUQWXRDE-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001439802936 1092760196 /nfs/dbraw/zinc/76/01/96/1092760196.db2.gz CQGQKYAITGBUCN-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001497216328 1102139798 /nfs/dbraw/zinc/13/97/98/1102139798.db2.gz QIJUDQNJHCGBQX-CRAIPNDOSA-N 2 0 333.451 2.002 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498189602 1107051591 /nfs/dbraw/zinc/05/15/91/1107051591.db2.gz IRWVNDIARWRTDS-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001498197639 1107065512 /nfs/dbraw/zinc/06/55/12/1107065512.db2.gz SUPHLUJQKRPURN-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C[NH+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000328673805 539758231 /nfs/dbraw/zinc/75/82/31/539758231.db2.gz JJKRMZNZFMEENQ-STONLHKKSA-N 2 0 336.480 2.399 20 30 EEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)cc1 ZINC000423041940 240341451 /nfs/dbraw/zinc/34/14/51/240341451.db2.gz JYYKIEJFCMZOGI-PVARCSIZSA-N 2 0 326.444 2.161 20 30 EEEDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000345195570 161280557 /nfs/dbraw/zinc/28/05/57/161280557.db2.gz ZWKZRHKMUBUKAH-UHFFFAOYSA-N 2 0 348.878 2.101 20 30 EEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286314661 266300603 /nfs/dbraw/zinc/30/06/03/266300603.db2.gz XHGXHUGPJYJVIR-HXUWFJFHSA-N 2 0 344.503 2.473 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000275168889 276890982 /nfs/dbraw/zinc/89/09/82/276890982.db2.gz BSTZHSXTXNLRNQ-MSOLQXFVSA-N 2 0 336.524 2.278 20 30 EEEDRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000560896968 318817494 /nfs/dbraw/zinc/81/74/94/318817494.db2.gz OLHRIVVENZDGSS-KRWDZBQOSA-N 2 0 342.487 2.005 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000336879081 465074742 /nfs/dbraw/zinc/07/47/42/465074742.db2.gz LCUACGSMEYKWMK-SZMVWBNQSA-N 2 0 331.460 2.103 20 30 EEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128331000 462630259 /nfs/dbraw/zinc/63/02/59/462630259.db2.gz HHHSQLKHHLXCSJ-SFHVURJKSA-N 2 0 329.488 2.377 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000067274134 462985897 /nfs/dbraw/zinc/98/58/97/462985897.db2.gz ADLWFOQUANLAHH-QGZVFWFLSA-N 2 0 331.460 2.124 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)nc1 ZINC000161663734 463447942 /nfs/dbraw/zinc/44/79/42/463447942.db2.gz SUKCVUVHHZHUKR-UHFFFAOYSA-N 2 0 339.487 2.386 20 30 EEEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261673645 463823472 /nfs/dbraw/zinc/82/34/72/463823472.db2.gz CIAJJLYSZIGRSM-CYBMUJFWSA-N 2 0 325.888 2.028 20 30 EEEDRP C[N@H+]1CC=C(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278568186 463971654 /nfs/dbraw/zinc/97/16/54/463971654.db2.gz DFPRVEVPPYBQJQ-UHFFFAOYSA-N 2 0 336.443 2.210 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186579332 464026358 /nfs/dbraw/zinc/02/63/58/464026358.db2.gz IAKYMXABUOCFIK-ZWKOTPCHSA-N 2 0 329.488 2.375 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000264444742 464328757 /nfs/dbraw/zinc/32/87/57/464328757.db2.gz XGLAJTADZKDODT-SFHVURJKSA-N 2 0 348.466 2.378 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)F ZINC000276325342 464889829 /nfs/dbraw/zinc/88/98/29/464889829.db2.gz DYJXEGQTKJBFSP-AWEZNQCLSA-N 2 0 340.418 2.219 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358777584 465316964 /nfs/dbraw/zinc/31/69/64/465316964.db2.gz AHZCJCVLUIJFRH-CALCHBBNSA-N 2 0 336.524 2.304 20 30 EEEDRP CC(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918673 468433945 /nfs/dbraw/zinc/43/39/45/468433945.db2.gz FNDNFIODRQPTAA-UHFFFAOYSA-N 2 0 328.460 2.027 20 30 EEEDRP CCOCCCNC(=[NH2+])NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000303871514 466240408 /nfs/dbraw/zinc/24/04/08/466240408.db2.gz FXABGWUVNTVJPU-UHFFFAOYSA-N 2 0 333.411 2.151 20 30 EEEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338913493 466478146 /nfs/dbraw/zinc/47/81/46/466478146.db2.gz QWGXLMBVVJGIKU-WMZOPIPTSA-N 2 0 334.508 2.239 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000417058105 466766577 /nfs/dbraw/zinc/76/65/77/466766577.db2.gz DOYMEZVNMYQWKK-NCXUSEDFSA-N 2 0 348.535 2.372 20 30 EEEDRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424139993 466988728 /nfs/dbraw/zinc/98/87/28/466988728.db2.gz AUCAIHMFRHOOCW-OAHLLOKOSA-N 2 0 329.448 2.152 20 30 EEEDRP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000424176380 466996739 /nfs/dbraw/zinc/99/67/39/466996739.db2.gz RGNNTEVUVWMTRV-BHIYHBOVSA-N 2 0 342.487 2.424 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000433325386 467318790 /nfs/dbraw/zinc/31/87/90/467318790.db2.gz GDCAHINOKAXERP-QAPCUYQASA-N 2 0 338.459 2.431 20 30 EEEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708315 467577411 /nfs/dbraw/zinc/57/74/11/467577411.db2.gz FTQLBUMNZOXCJD-WOJBJXKFSA-N 2 0 326.488 2.476 20 30 EEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000598611817 468932875 /nfs/dbraw/zinc/93/28/75/468932875.db2.gz PXQMVUBTMATGET-OTWHNJEPSA-N 2 0 327.472 2.351 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424171268 535862004 /nfs/dbraw/zinc/86/20/04/535862004.db2.gz CDQOYBRQVZYFMA-MRXNPFEDSA-N 2 0 336.867 2.251 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156130 674643567 /nfs/dbraw/zinc/64/35/67/674643567.db2.gz KQWAKBRIWLLNPM-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000969721509 675173314 /nfs/dbraw/zinc/17/33/14/675173314.db2.gz GNTINPXPEADLPA-SOUVJXGZSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223873 676179855 /nfs/dbraw/zinc/17/98/55/676179855.db2.gz BJWORGBGQFYGGR-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022070174 676632674 /nfs/dbraw/zinc/63/26/74/676632674.db2.gz RHNUQYYNXFBRMF-MJBXVCDLSA-N 2 0 344.297 2.005 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+]1CCCC1 ZINC001022534323 677830792 /nfs/dbraw/zinc/83/07/92/677830792.db2.gz PANVWNMNBKMCBI-HDICACEKSA-N 2 0 340.471 2.169 20 30 EEEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972409432 678699321 /nfs/dbraw/zinc/69/93/21/678699321.db2.gz OKACXFLGCYUCSC-QUCCMNQESA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972494476 678917248 /nfs/dbraw/zinc/91/72/48/678917248.db2.gz QVICFUABRWVRRA-HXUWFJFHSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262328146 685369177 /nfs/dbraw/zinc/36/91/77/685369177.db2.gz AJNWUCQAVZZDOO-NXOAAHMSSA-N 2 0 336.524 2.229 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591490 681233122 /nfs/dbraw/zinc/23/31/22/681233122.db2.gz HXNZOZSSRIMHSP-IEBWSBKVSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261981617 682724718 /nfs/dbraw/zinc/72/47/18/682724718.db2.gz PACWDVJXSUEUSC-JENIJYKNSA-N 2 0 336.524 2.185 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585065 683041697 /nfs/dbraw/zinc/04/16/97/683041697.db2.gz NFNGVIARRPMTHE-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000984046520 684016786 /nfs/dbraw/zinc/01/67/86/684016786.db2.gz FVCJDUOSCHKXLT-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]12 ZINC001026369747 684464950 /nfs/dbraw/zinc/46/49/50/684464950.db2.gz IPCXYQVTQGZLCW-IXDOHACOSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001754640487 1179128605 /nfs/dbraw/zinc/12/86/05/1179128605.db2.gz SZUSYPPNOKEOAM-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036490 1192959010 /nfs/dbraw/zinc/95/90/10/1192959010.db2.gz MGKVKEVUTPYHHU-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001271183313 1186066750 /nfs/dbraw/zinc/06/67/50/1186066750.db2.gz YKGJEPCJFZPPPX-LPHOPBHVSA-N 2 0 347.478 2.200 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001105539917 1188161026 /nfs/dbraw/zinc/16/10/26/1188161026.db2.gz SSDYUHUPDSEIHK-IPMKNSEASA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290482 1188253734 /nfs/dbraw/zinc/25/37/34/1188253734.db2.gz GBMSZYXHUVLOKG-GASCZTMLSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001484571830 1191424783 /nfs/dbraw/zinc/42/47/83/1191424783.db2.gz JZVAAUOTKWFNDU-BPUTZDHNSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CCN1CC[C@@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128425 1194411613 /nfs/dbraw/zinc/41/16/13/1194411613.db2.gz TVVCSLUNJJZBCE-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946809194 1194417689 /nfs/dbraw/zinc/41/76/89/1194417689.db2.gz YZSLSNQCVXUGSD-HSALFYBXSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415744 1194536090 /nfs/dbraw/zinc/53/60/90/1194536090.db2.gz KGIKNIRFRBCVJV-QAPCUYQASA-N 2 0 325.472 2.308 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034250758 1195990152 /nfs/dbraw/zinc/99/01/52/1195990152.db2.gz WNERLBPJFYJJCN-MOPGFXCFSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405869 1196177497 /nfs/dbraw/zinc/17/74/97/1196177497.db2.gz VZUYULQPMLMTEQ-LJQANCHMSA-N 2 0 327.472 2.008 20 30 EEEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCCCCC1 ZINC000126103693 1199720912 /nfs/dbraw/zinc/72/09/12/1199720912.db2.gz YVWJZJDVMPMMSD-UHFFFAOYSA-N 2 0 344.503 2.334 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132884558 1200148977 /nfs/dbraw/zinc/14/89/77/1200148977.db2.gz RTCRMGLRCONLKW-DZGCQCFKSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132884560 1200149227 /nfs/dbraw/zinc/14/92/27/1200149227.db2.gz RTCRMGLRCONLKW-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001133090926 1200433005 /nfs/dbraw/zinc/43/30/05/1200433005.db2.gz MJKVZEMXYNOJST-LSDHHAIUSA-N 2 0 348.516 2.146 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001133354102 1200784035 /nfs/dbraw/zinc/78/40/35/1200784035.db2.gz MWANWVLTCGBREL-IAGOWNOFSA-N 2 0 345.487 2.442 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001133398341 1200839241 /nfs/dbraw/zinc/83/92/41/1200839241.db2.gz QZWGIAIQVRQVBP-SFHVURJKSA-N 2 0 347.890 2.232 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001133410625 1200880222 /nfs/dbraw/zinc/88/02/22/1200880222.db2.gz RWFHGQCLWCZMET-UHFFFAOYSA-N 2 0 335.879 2.233 20 30 EEEDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cncc(C#N)c3)(C1)CCC2 ZINC001275026888 1205236246 /nfs/dbraw/zinc/23/62/46/1205236246.db2.gz CIZWSDRYULFXLT-RBUKOAKNSA-N 2 0 327.476 2.039 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC001275957408 1205602618 /nfs/dbraw/zinc/60/26/18/1205602618.db2.gz YDEJTVCDCTWISI-HDICACEKSA-N 2 0 344.478 2.403 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCCN3C)n[nH]1)C2 ZINC001095442328 1205758445 /nfs/dbraw/zinc/75/84/45/1205758445.db2.gz VTYVVBQJAVJCSO-BODMPHMZSA-N 2 0 343.475 2.088 20 30 EEEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001276243079 1205851171 /nfs/dbraw/zinc/85/11/71/1205851171.db2.gz XOADLDLAGNYYIR-OYRHEFFESA-N 2 0 340.515 2.458 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)[C@H](C)C2)CC1 ZINC000948069986 1208853866 /nfs/dbraw/zinc/85/38/66/1208853866.db2.gz LYWHKQXFUUDGCR-IEBWSBKVSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948898453 1209443195 /nfs/dbraw/zinc/44/31/95/1209443195.db2.gz IVCLDARMCWPMEK-RTBURBONSA-N 2 0 327.472 2.372 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303875514 1213916928 /nfs/dbraw/zinc/91/69/28/1213916928.db2.gz DLWJGSXVGYEELK-KZNAEPCWSA-N 3 0 337.556 2.133 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC000957776903 1215421888 /nfs/dbraw/zinc/42/18/88/1215421888.db2.gz WFAJZKYXHMDKNU-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C(C)(C)C)cs1 ZINC000304742347 1216102236 /nfs/dbraw/zinc/10/22/36/1216102236.db2.gz CPWCDGNWBHJYPX-CYBMUJFWSA-N 2 0 337.537 2.372 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000959923727 1216233511 /nfs/dbraw/zinc/23/35/11/1216233511.db2.gz HFEQVAZPZFFQSW-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961233209 1217100824 /nfs/dbraw/zinc/10/08/24/1217100824.db2.gz UTVSOAVFBLSZDU-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CC[N@@H+](C(C)C)C3)C2)CC1 ZINC000961293794 1217132231 /nfs/dbraw/zinc/13/22/31/1217132231.db2.gz QZMCGYYARIUGCY-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961375458 1217164174 /nfs/dbraw/zinc/16/41/74/1217164174.db2.gz VDBJITKGLHMFRG-YZGWKJHDSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961377006 1217164798 /nfs/dbraw/zinc/16/47/98/1217164798.db2.gz VIKOHMZUTHKXGW-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432262 1217187670 /nfs/dbraw/zinc/18/76/70/1217187670.db2.gz QPSWDTVIWCZVJQ-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001037959862 1220753112 /nfs/dbraw/zinc/75/31/12/1220753112.db2.gz NDERXXMPMDOEOF-HUUCEWRRSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1CC ZINC001037983512 1220878824 /nfs/dbraw/zinc/87/88/24/1220878824.db2.gz NKCLANDPOFJHKO-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416780 1221288131 /nfs/dbraw/zinc/28/81/31/1221288131.db2.gz AYNFAAUEMBQWAT-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968645153 1221460305 /nfs/dbraw/zinc/46/03/05/1221460305.db2.gz PAWBCYBSQPFQOM-PBHICJAKSA-N 2 0 346.500 2.183 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342185 1222182812 /nfs/dbraw/zinc/18/28/12/1222182812.db2.gz FNKPLBIQFSOSII-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702020 1226796332 /nfs/dbraw/zinc/79/63/32/1226796332.db2.gz HVQLBMBSHZQOEV-ZWKOTPCHSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862285 1226928915 /nfs/dbraw/zinc/92/89/15/1226928915.db2.gz VNRVQVQZDHXBBA-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018990788 1228610830 /nfs/dbraw/zinc/61/08/30/1228610830.db2.gz PQLRSOGINXTQOF-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001019815170 1229360925 /nfs/dbraw/zinc/36/09/25/1229360925.db2.gz BBHMNSRVYBQBLB-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001039041533 1230257452 /nfs/dbraw/zinc/25/74/52/1230257452.db2.gz FAWPSJTWXLOIQM-FXAWDEMLSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C)cc2)CC1 ZINC001039041806 1230258052 /nfs/dbraw/zinc/25/80/52/1230258052.db2.gz GZDQNRMQKZLMMI-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152172 1230371694 /nfs/dbraw/zinc/37/16/94/1230371694.db2.gz AUHFZMIYUGNPSO-YSIASYRMSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153000 1230372592 /nfs/dbraw/zinc/37/25/92/1230372592.db2.gz MQMKJMIEEUZUEQ-YTQUADARSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039303491 1230517645 /nfs/dbraw/zinc/51/76/45/1230517645.db2.gz XEGREWVRBKUBMG-IHWFROFDSA-N 2 0 339.483 2.497 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545638 1231286387 /nfs/dbraw/zinc/28/63/87/1231286387.db2.gz TWHVRWCJZGACMH-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001041677987 1231647302 /nfs/dbraw/zinc/64/73/02/1231647302.db2.gz FGDASGGGOCKTIJ-UXHICEINSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297652 1232012633 /nfs/dbraw/zinc/01/26/33/1232012633.db2.gz STVLWJSBPODAAI-PKOBYXMFSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308560 1232019607 /nfs/dbraw/zinc/01/96/07/1232019607.db2.gz WMBLQNZIBDTIMS-UYAOXDASSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942582 1234201017 /nfs/dbraw/zinc/20/10/17/1234201017.db2.gz VGDUAVSIEQUCTL-QUCCMNQESA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048531901 1237888373 /nfs/dbraw/zinc/88/83/73/1237888373.db2.gz JXMDUFOELZFVRY-HAGHYFMRSA-N 2 0 345.531 2.347 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001000104082 1239945522 /nfs/dbraw/zinc/94/55/22/1239945522.db2.gz MUVIMVNVRNMIGN-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049662913 1241808594 /nfs/dbraw/zinc/80/85/94/1241808594.db2.gz JRTKFOIZMWYTOM-GUDVDZBRSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467294 1242328483 /nfs/dbraw/zinc/32/84/83/1242328483.db2.gz ICONMWJXOLGNLY-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(=C)C)CC1 ZINC001049909354 1242657774 /nfs/dbraw/zinc/65/77/74/1242657774.db2.gz AHDSYULJNQZMFQ-VQTJNVASSA-N 2 0 343.515 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C/C=C\Cl)CC1 ZINC001049920254 1242714493 /nfs/dbraw/zinc/71/44/93/1242714493.db2.gz RCUMWNOWEBPEQT-OETHZFGISA-N 2 0 349.906 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc([C@@H](C)[NH2+]CC)cc2)CC1 ZINC001050273150 1243230003 /nfs/dbraw/zinc/23/00/03/1243230003.db2.gz OQNJBJNZCNCORT-MRXNPFEDSA-N 2 0 327.472 2.319 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)CCC=C)CC1 ZINC001111455097 1244599270 /nfs/dbraw/zinc/59/92/70/1244599270.db2.gz MEUZXUMRVLYLSS-AFYVEPGGSA-N 2 0 343.515 2.408 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052701490 1244783711 /nfs/dbraw/zinc/78/37/11/1244783711.db2.gz FPNQQMZAKUSXAH-VQIMIIECSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](F)CC)CC2)CC1 ZINC001052957639 1245554613 /nfs/dbraw/zinc/55/46/13/1245554613.db2.gz IGGBCRLHWNYBFB-ROUUACIJSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042205 1245750423 /nfs/dbraw/zinc/75/04/23/1245750423.db2.gz ADYXBCDPGYSQIM-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396845 1245761134 /nfs/dbraw/zinc/76/11/34/1245761134.db2.gz NQQXKZMNHISTAK-HBFSDRIKSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050049 1245768348 /nfs/dbraw/zinc/76/83/48/1245768348.db2.gz BKEZMHQPZDNVKJ-RBUKOAKNSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042332 1247207463 /nfs/dbraw/zinc/20/74/63/1247207463.db2.gz VYBZECSEXFZRRH-NSISKUIASA-N 2 0 341.499 2.446 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186283 1247653822 /nfs/dbraw/zinc/65/38/22/1247653822.db2.gz PETPNGJCNGOZTO-IBGZPJMESA-N 2 0 331.460 2.455 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001054296167 1248076685 /nfs/dbraw/zinc/07/66/85/1248076685.db2.gz GROCMBBYCHKNCS-RLLQIKCJSA-N 2 0 339.483 2.426 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001185609068 1278716154 /nfs/dbraw/zinc/71/61/54/1278716154.db2.gz CNHKKLNBKUYVGH-UXHICEINSA-N 2 0 341.499 2.349 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185752880 1278786970 /nfs/dbraw/zinc/78/69/70/1278786970.db2.gz VUMWQNVKZAASHZ-SJORKVTESA-N 2 0 327.472 2.069 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232931 1279311881 /nfs/dbraw/zinc/31/18/81/1279311881.db2.gz YKXPECKTHJRDAP-DLBZAZTESA-N 2 0 331.504 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCCC)C2)CC1 ZINC001188091286 1279761017 /nfs/dbraw/zinc/76/10/17/1279761017.db2.gz KIUGRICDOLXURO-LJQANCHMSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655901 1280998176 /nfs/dbraw/zinc/99/81/76/1280998176.db2.gz QYLMNARSBOUPHJ-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001191019930 1281177525 /nfs/dbraw/zinc/17/75/25/1281177525.db2.gz RDGGVSKWBAPFOE-SFHVURJKSA-N 2 0 342.487 2.321 20 30 EEEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424487 1282501360 /nfs/dbraw/zinc/50/13/60/1282501360.db2.gz MPHWHDKCUWGFRV-MOPGFXCFSA-N 2 0 327.472 2.235 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001193571134 1282569496 /nfs/dbraw/zinc/56/94/96/1282569496.db2.gz QDOAASQQWVRKNF-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203296482 1282884938 /nfs/dbraw/zinc/88/49/38/1282884938.db2.gz PFELNQWLIFVCJE-FQEVSTJZSA-N 2 0 327.472 2.067 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)s1 ZINC001153314104 1293913827 /nfs/dbraw/zinc/91/38/27/1293913827.db2.gz FEADITVWMWJOTF-UHFFFAOYSA-N 2 0 334.489 2.092 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974137 1295056788 /nfs/dbraw/zinc/05/67/88/1295056788.db2.gz KYUDSRPIBKWNGY-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213437962 1296031085 /nfs/dbraw/zinc/03/10/85/1296031085.db2.gz NNQORWSZYNHEHJ-KZNAEPCWSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)cc1 ZINC001218897908 1297854422 /nfs/dbraw/zinc/85/44/22/1297854422.db2.gz KPNIBFZOUIPGAT-SFHVURJKSA-N 2 0 336.439 2.303 20 30 EEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001219271723 1297969318 /nfs/dbraw/zinc/96/93/18/1297969318.db2.gz VSUWRHLPGSIUDA-LJQANCHMSA-N 2 0 334.423 2.491 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099173181 1298951961 /nfs/dbraw/zinc/95/19/61/1298951961.db2.gz LLMJFHFIYQLONT-FPOVZHCZSA-N 2 0 339.483 2.356 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001099274427 1298996580 /nfs/dbraw/zinc/99/65/80/1298996580.db2.gz ISNVAMLBEHTTOX-ZIAGYGMSSA-N 2 0 345.409 2.170 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCCCF)C[C@H]32)CC1 ZINC001222043979 1299299753 /nfs/dbraw/zinc/29/97/53/1299299753.db2.gz KHZUKGYCRIJOEQ-RTBURBONSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCC)[C@H]2C1 ZINC001222913633 1299918383 /nfs/dbraw/zinc/91/83/83/1299918383.db2.gz SVXVBJCSQTUYTE-QYZOEREBSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001223495714 1300154652 /nfs/dbraw/zinc/15/46/52/1300154652.db2.gz WQUXNASZEXIXSS-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001224583348 1300659639 /nfs/dbraw/zinc/65/96/39/1300659639.db2.gz QVVFXTXHECFNTE-FQEVSTJZSA-N 2 0 341.499 2.207 20 30 EEEDRP N#CC1(NC(=O)C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)CCC1 ZINC001277240540 1301965234 /nfs/dbraw/zinc/96/52/34/1301965234.db2.gz CQJMSWLWTHPUFD-UHFFFAOYSA-N 2 0 344.503 2.135 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001228647363 1302359028 /nfs/dbraw/zinc/35/90/28/1302359028.db2.gz RSJLUQKLYUGTMO-QRVBRYPASA-N 2 0 342.487 2.415 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230618901 1303326524 /nfs/dbraw/zinc/32/65/24/1303326524.db2.gz SPGKFDKNASIUFC-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001232114672 1304006093 /nfs/dbraw/zinc/00/60/93/1304006093.db2.gz QQXHDFGEHHOFKQ-ZWKOTPCHSA-N 2 0 332.879 2.422 20 30 EEEDRP Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2C[N@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001277824139 1304675635 /nfs/dbraw/zinc/67/56/35/1304675635.db2.gz OKZMTRYQXJXJEX-YLJYHZDGSA-N 2 0 338.455 2.127 20 30 EEEDRP CC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277888621 1305021839 /nfs/dbraw/zinc/02/18/39/1305021839.db2.gz JXPLEKRYRDMXHG-OAHLLOKOSA-N 2 0 328.460 2.162 20 30 EEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCCCC1 ZINC001115690939 1305620820 /nfs/dbraw/zinc/62/08/20/1305620820.db2.gz DHGRRCHCKHPQBL-KRWDZBQOSA-N 2 0 337.508 2.080 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001238084500 1306213242 /nfs/dbraw/zinc/21/32/42/1306213242.db2.gz SFHNSLBKPHHEND-ZWKOTPCHSA-N 2 0 332.879 2.422 20 30 EEEDRP CCCCCCCCS(=O)(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001239167208 1309046991 /nfs/dbraw/zinc/04/69/91/1309046991.db2.gz KPCBNDCOOGBDPH-QGZVFWFLSA-N 2 0 347.569 2.292 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120004492 1309275102 /nfs/dbraw/zinc/27/51/02/1309275102.db2.gz BMICFBGAHXPFRB-HNNXBMFYSA-N 2 0 327.900 2.489 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410305 1310302973 /nfs/dbraw/zinc/30/29/73/1310302973.db2.gz IESFPMNQVVXOOB-PCCLBNHKSA-N 2 0 340.508 2.233 20 30 EEEDRP C[N@H+](CCN1CC[NH2+]CC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246868926 1310455505 /nfs/dbraw/zinc/45/55/05/1310455505.db2.gz CTZUQIZIUSJDHI-UHFFFAOYSA-N 2 0 326.488 2.421 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001149946691 1316098939 /nfs/dbraw/zinc/09/89/39/1316098939.db2.gz MBSWUBSNMSLVAD-QZTJIDSGSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC001152324472 1316657321 /nfs/dbraw/zinc/65/73/21/1316657321.db2.gz WDSQLHONXNRHAH-UHFFFAOYSA-N 2 0 347.890 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001152330457 1316657679 /nfs/dbraw/zinc/65/76/79/1316657679.db2.gz NOEGFCYALUDQGP-QGZVFWFLSA-N 2 0 327.472 2.107 20 30 EEEDRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152393214 1316666499 /nfs/dbraw/zinc/66/64/99/1316666499.db2.gz HSRSAVSLUQJPQJ-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC2CC(C)C2)CC1 ZINC001157092094 1318396142 /nfs/dbraw/zinc/39/61/42/1318396142.db2.gz KIQVONLJNXLYHH-LXPRWKDFSA-N 2 0 333.520 2.204 20 30 EEEDRP Cc1ccc([C@@H](C#N)c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)cc1 ZINC001157094891 1318397705 /nfs/dbraw/zinc/39/77/05/1318397705.db2.gz YDOFHPQNISZOEW-OAHLLOKOSA-N 2 0 337.431 2.116 20 30 EEEDRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC001159917492 1320021063 /nfs/dbraw/zinc/02/10/63/1320021063.db2.gz XOGROKBJKKOMSL-SFHVURJKSA-N 2 0 347.890 2.128 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704953 1320594967 /nfs/dbraw/zinc/59/49/67/1320594967.db2.gz MJLNBHQEEPULSH-OALUTQOASA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)(COC)CC1 ZINC001162433735 1320856482 /nfs/dbraw/zinc/85/64/82/1320856482.db2.gz GVXASGGTPIGKOH-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001162934942 1320991074 /nfs/dbraw/zinc/99/10/74/1320991074.db2.gz MIZZOMGWJYABLD-AZUAARDMSA-N 2 0 343.515 2.421 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N)CC(C)(C)C ZINC001166744153 1321779295 /nfs/dbraw/zinc/77/92/95/1321779295.db2.gz KETXVXNKXGNCIC-UHFFFAOYSA-N 2 0 348.466 2.271 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203924728 1321990630 /nfs/dbraw/zinc/99/06/30/1321990630.db2.gz GHHBXKOFGIYDOJ-UHFFFAOYSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643940 1325364580 /nfs/dbraw/zinc/36/45/80/1325364580.db2.gz MGSWHVCLCBLLSG-RTBURBONSA-N 2 0 327.472 2.283 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001646520952 1352862015 /nfs/dbraw/zinc/86/20/15/1352862015.db2.gz QMIIKDZPTMTGQH-SJORKVTESA-N 2 0 331.460 2.008 20 30 EEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959116 1367963006 /nfs/dbraw/zinc/96/30/06/1367963006.db2.gz LFJVZVJZHRLAFR-HUUCEWRRSA-N 2 0 327.432 2.330 20 30 EEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202498 1371156743 /nfs/dbraw/zinc/15/67/43/1371156743.db2.gz CYARGDPIXAIGRW-QRQLOZEOSA-N 2 0 333.520 2.369 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001371880399 1375663970 /nfs/dbraw/zinc/66/39/70/1375663970.db2.gz JKDKJSKXKFBKSB-YJBOKZPZSA-N 2 0 330.476 2.129 20 30 EEEDRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001378410911 1379924352 /nfs/dbraw/zinc/92/43/52/1379924352.db2.gz OAZATXYJNCMOEO-WMZOPIPTSA-N 2 0 348.516 2.334 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001390474547 1388647253 /nfs/dbraw/zinc/64/72/53/1388647253.db2.gz DRKIBMJOMJOYSM-CQSZACIVSA-N 2 0 348.466 2.270 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378963827 1380332245 /nfs/dbraw/zinc/33/22/45/1380332245.db2.gz QZRBNDKZZBBQHC-MOPGFXCFSA-N 2 0 344.503 2.375 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379015364 1380391610 /nfs/dbraw/zinc/39/16/10/1380391610.db2.gz BYMXTOVMDDIWGE-HNNXBMFYSA-N 2 0 325.884 2.194 20 30 EEEDRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001379317290 1380677311 /nfs/dbraw/zinc/67/73/11/1380677311.db2.gz DMVYSMWXSPILGH-OAHLLOKOSA-N 2 0 348.516 2.432 20 30 EEEDRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C#N ZINC001391731852 1389552584 /nfs/dbraw/zinc/55/25/84/1389552584.db2.gz UGZIEXFDWXYVAO-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001393390103 1390423524 /nfs/dbraw/zinc/42/35/24/1390423524.db2.gz KXDIMNFNTXUOQC-CVEARBPZSA-N 2 0 327.900 2.442 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001398734845 1394170580 /nfs/dbraw/zinc/17/05/80/1394170580.db2.gz YCPPDBQWIZWCKR-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001400241760 1396096256 /nfs/dbraw/zinc/09/62/56/1396096256.db2.gz GHUOEZTWFIZWHI-INIZCTEOSA-N 2 0 327.900 2.394 20 30 EEEDRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001401141581 1396975556 /nfs/dbraw/zinc/97/55/56/1396975556.db2.gz VFRGNVOPRLGDIJ-KBXCAEBGSA-N 2 0 346.450 2.024 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001402239333 1397887137 /nfs/dbraw/zinc/88/71/37/1397887137.db2.gz GKWXXYJXDSWIBO-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1 ZINC001402566438 1398062621 /nfs/dbraw/zinc/06/26/21/1398062621.db2.gz PWPNTFHJXCCRGU-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001423167199 1400470625 /nfs/dbraw/zinc/47/06/25/1400470625.db2.gz CPSZJLBILQHINJ-QGZVFWFLSA-N 2 0 342.487 2.371 20 30 EEEDRP COc1cc(C#N)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579139009 1403778319 /nfs/dbraw/zinc/77/83/19/1403778319.db2.gz GTTUVTLKHLCHNK-MJGOQNOKSA-N 2 0 329.444 2.285 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089863407 782299245 /nfs/dbraw/zinc/29/92/45/782299245.db2.gz ZQCMBPVEFAFMDF-RDGPPVDQSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439742 782357399 /nfs/dbraw/zinc/35/73/99/782357399.db2.gz UEHQZVXFBQERCL-PKOBYXMFSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001167299138 757793480 /nfs/dbraw/zinc/79/34/80/757793480.db2.gz MSWBCUBTTNJIPQ-MOPGFXCFSA-N 2 0 341.499 2.394 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104754003 765206475 /nfs/dbraw/zinc/20/64/75/765206475.db2.gz YSFKKKHHTZUKCS-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527326 770116597 /nfs/dbraw/zinc/11/65/97/770116597.db2.gz NLMGTZOABGUFNU-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649164 773757173 /nfs/dbraw/zinc/75/71/73/773757173.db2.gz CPQOXCBSXWOYJB-MSOLQXFVSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980220279 774134569 /nfs/dbraw/zinc/13/45/69/774134569.db2.gz ZBOPNKNEBYHGBL-GVDBMIGSSA-N 2 0 340.471 2.001 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683926 774308104 /nfs/dbraw/zinc/30/81/04/774308104.db2.gz KMUFXIQBSKIEMO-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779430 783191051 /nfs/dbraw/zinc/19/10/51/783191051.db2.gz ORPCXVSFLZEHRH-INDMIFKZSA-N 2 0 333.520 2.321 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089839009 777493747 /nfs/dbraw/zinc/49/37/47/777493747.db2.gz ODKHQMOHBJCDFV-QLIIJSOBSA-N 2 0 348.450 2.140 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279992 779518418 /nfs/dbraw/zinc/51/84/18/779518418.db2.gz PPKSAHBXDKNLKE-IZZBFERCSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394491 781792474 /nfs/dbraw/zinc/79/24/74/781792474.db2.gz YMRYZXOCUDFNDB-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395646 781886413 /nfs/dbraw/zinc/88/64/13/781886413.db2.gz BYKRMCQAIDQAJH-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC[NH+](C)C ZINC001135372289 783662046 /nfs/dbraw/zinc/66/20/46/783662046.db2.gz QDMSOVKTMMQQGT-ZIAGYGMSSA-N 2 0 334.439 2.022 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035199854 784038456 /nfs/dbraw/zinc/03/84/56/784038456.db2.gz ROLGZCJFXOKISA-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244894 784177503 /nfs/dbraw/zinc/17/75/03/784177503.db2.gz WHRDMFWNMZSTLO-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035260189 784215198 /nfs/dbraw/zinc/21/51/98/784215198.db2.gz RUPHISFYBLQHPY-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975763 784925002 /nfs/dbraw/zinc/92/50/02/784925002.db2.gz BZJINHLRYCIDRP-IAGOWNOFSA-N 2 0 347.478 2.392 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036307207 786217528 /nfs/dbraw/zinc/21/75/28/786217528.db2.gz ZHLZXNCYKUASSS-GOEBONIOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911743454 787680240 /nfs/dbraw/zinc/68/02/40/787680240.db2.gz CTIGCMYRASXIHS-IRXDYDNUSA-N 2 0 345.443 2.218 20 30 EEEDRP CC[NH+]1CCN([C@H](C)CNC(NC(C)(C)C)=[NH+]CC(C)C)CC1 ZINC000912509667 788215983 /nfs/dbraw/zinc/21/59/83/788215983.db2.gz OBLXZYIGKBEKAT-MRXNPFEDSA-N 2 0 325.545 2.002 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000996977028 788342710 /nfs/dbraw/zinc/34/27/10/788342710.db2.gz ICSUSRBQBJHBNB-LJQANCHMSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1F ZINC000825160682 788491919 /nfs/dbraw/zinc/49/19/19/788491919.db2.gz UTIJNUAPPXUXPC-INIZCTEOSA-N 2 0 346.450 2.185 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991474943 789021979 /nfs/dbraw/zinc/02/19/79/789021979.db2.gz ROFDSONWANNFGE-AZUAARDMSA-N 2 0 336.439 2.393 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997368244 789751975 /nfs/dbraw/zinc/75/19/75/789751975.db2.gz DPZXQYKAKUOXPV-MRXNPFEDSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591912 791360507 /nfs/dbraw/zinc/36/05/07/791360507.db2.gz IGGYIWHIYFLMLF-HOTGVXAUSA-N 2 0 330.476 2.271 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001147825792 791984333 /nfs/dbraw/zinc/98/43/33/791984333.db2.gz RUJYSFASNAHLGG-DOTOQJQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171358903 793128669 /nfs/dbraw/zinc/12/86/69/793128669.db2.gz NCZDWGLZLHHTJG-IRXDYDNUSA-N 2 0 327.513 2.040 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776333 793228753 /nfs/dbraw/zinc/22/87/53/793228753.db2.gz IXUXENNDJZBYCH-MJGOQNOKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCC)CC3)CC1 ZINC000992506550 794445864 /nfs/dbraw/zinc/44/58/64/794445864.db2.gz JOMNAARVUNIFMQ-UYAOXDASSA-N 2 0 331.504 2.245 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000999434535 794457560 /nfs/dbraw/zinc/45/75/60/794457560.db2.gz OCTKGXCMRKQQOE-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533311 806351237 /nfs/dbraw/zinc/35/12/37/806351237.db2.gz GAQABJVSTLVGHZ-FPCVCCKLSA-N 2 0 327.900 2.344 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106472097 795663792 /nfs/dbraw/zinc/66/37/92/795663792.db2.gz PQLOBZIOWFLYNG-SJLPKXTDSA-N 2 0 329.488 2.274 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479515 795682028 /nfs/dbraw/zinc/68/20/28/795682028.db2.gz DGBVWCLOOVNXMW-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497282 796290842 /nfs/dbraw/zinc/29/08/42/796290842.db2.gz REMAOWGDDIRELJ-QWFCFKBJSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC(C)C)C2)CC1 ZINC001036904940 796448630 /nfs/dbraw/zinc/44/86/30/796448630.db2.gz ZWOKXKJSDZOALD-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765791 796485707 /nfs/dbraw/zinc/48/57/07/796485707.db2.gz URTWCPMTVUEZEM-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078818948 797024214 /nfs/dbraw/zinc/02/42/14/797024214.db2.gz GASGWCNXZOGTTA-ZWKOTPCHSA-N 2 0 325.456 2.012 20 30 EEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175264734 798062635 /nfs/dbraw/zinc/06/26/35/798062635.db2.gz VJGNEVRUFFQKHA-QGZVFWFLSA-N 2 0 329.488 2.302 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176111043 798353559 /nfs/dbraw/zinc/35/35/59/798353559.db2.gz FHIVVNCWUZOONB-QGZVFWFLSA-N 2 0 333.520 2.396 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563767 798497648 /nfs/dbraw/zinc/49/76/48/798497648.db2.gz HEDSNTIIGOZARL-APWZRJJASA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176843798 798599397 /nfs/dbraw/zinc/59/93/97/798599397.db2.gz BCGGWIVNKRMKPM-GASCZTMLSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001178509309 799503916 /nfs/dbraw/zinc/50/39/16/799503916.db2.gz LUKBHSHJCVUYHS-UHFFFAOYSA-N 2 0 349.523 2.291 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150817881 799580464 /nfs/dbraw/zinc/58/04/64/799580464.db2.gz IMPBBWANQKCQLS-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108215057 801469574 /nfs/dbraw/zinc/46/95/74/801469574.db2.gz AKPFEQDJPGRCNK-LJQANCHMSA-N 2 0 339.524 2.138 20 30 EEEDRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183978699 801830575 /nfs/dbraw/zinc/83/05/75/801830575.db2.gz YDWWDNDLPRJXCU-LJQANCHMSA-N 2 0 344.418 2.190 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC001184692212 802128813 /nfs/dbraw/zinc/12/88/13/802128813.db2.gz FSEQLWNBRNTASW-ZWKOTPCHSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184681953 802149565 /nfs/dbraw/zinc/14/95/65/802149565.db2.gz ACUDFWDNBLEHAL-DLBZAZTESA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472234 802161696 /nfs/dbraw/zinc/16/16/96/802161696.db2.gz FLZZCUVEBZVTBC-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001184800461 802195342 /nfs/dbraw/zinc/19/53/42/802195342.db2.gz XLAXQTDJTKQPAU-LJQANCHMSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482746 802204542 /nfs/dbraw/zinc/20/45/42/802204542.db2.gz ROBKANIJPGUDAE-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086119691 802217304 /nfs/dbraw/zinc/21/73/04/802217304.db2.gz XNYYJKHZHMEDEY-GASCZTMLSA-N 2 0 325.884 2.099 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642878 802552852 /nfs/dbraw/zinc/55/28/52/802552852.db2.gz TUDZIXJQOGJNAS-FCGDIQPGSA-N 2 0 331.504 2.360 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086401931 802895806 /nfs/dbraw/zinc/89/58/06/802895806.db2.gz ATVAANKBMMWXMQ-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108356461 803361573 /nfs/dbraw/zinc/36/15/73/803361573.db2.gz FGIVNBPHXMRACK-LJQANCHMSA-N 2 0 339.524 2.282 20 30 EEEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000788456346 807533258 /nfs/dbraw/zinc/53/32/58/807533258.db2.gz SPPBRBRCIWUSBH-FQEVSTJZSA-N 2 0 338.455 2.096 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001130423795 811618243 /nfs/dbraw/zinc/61/82/43/811618243.db2.gz WMBPSVPGARPNMB-WBVHZDCISA-N 2 0 347.507 2.122 20 30 EEEDRP CCCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC001437753606 1090320517 /nfs/dbraw/zinc/32/05/17/1090320517.db2.gz PAVQSPVZFVPPMP-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001438615429 1091104449 /nfs/dbraw/zinc/10/44/49/1091104449.db2.gz YMMPOXOPEZGOGL-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccccc1C#N ZINC001444890248 1099929146 /nfs/dbraw/zinc/92/91/46/1099929146.db2.gz JEVGFEPOGGPXJP-SFHVURJKSA-N 2 0 342.487 2.130 20 30 EEEDRP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001496841563 1101580341 /nfs/dbraw/zinc/58/03/41/1101580341.db2.gz GZSNWOFKPYPKLE-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001496908152 1101703509 /nfs/dbraw/zinc/70/35/09/1101703509.db2.gz XHNUGSACURVIIH-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496083765 1102030504 /nfs/dbraw/zinc/03/05/04/1102030504.db2.gz WVKHDPRWNVNTEF-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713169 1106940162 /nfs/dbraw/zinc/94/01/62/1106940162.db2.gz ZJBLMCQYWFJHET-OALUTQOASA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498382563 1107426053 /nfs/dbraw/zinc/42/60/53/1107426053.db2.gz WNYJNFWLBNNQSI-MRXNPFEDSA-N 2 0 344.503 2.473 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505847964 1114230639 /nfs/dbraw/zinc/23/06/39/1114230639.db2.gz HQZOLAWJYQLYRX-AWEZNQCLSA-N 2 0 348.516 2.146 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001521464662 1119251810 /nfs/dbraw/zinc/25/18/10/1119251810.db2.gz VLMSKNKRJGIKFO-IBGZPJMESA-N 2 0 344.503 2.231 20 30 EEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000129116460 530064361 /nfs/dbraw/zinc/06/43/61/530064361.db2.gz CTLFYOJVTZFGQN-WMZOPIPTSA-N 2 0 326.444 2.303 20 30 EEEDRP N#Cc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000424020483 240794097 /nfs/dbraw/zinc/79/40/97/240794097.db2.gz OXIDRIKZKRNLIZ-UHFFFAOYSA-N 2 0 348.450 2.282 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000491450701 246035326 /nfs/dbraw/zinc/03/53/26/246035326.db2.gz BNUVBEHMWBAJBK-QGZVFWFLSA-N 2 0 327.472 2.290 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860586 292364273 /nfs/dbraw/zinc/36/42/73/292364273.db2.gz WMKJCYFCYAUYDD-SFHVURJKSA-N 2 0 343.475 2.438 20 30 EEEDRP N#Cc1ccc([C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601367 164348287 /nfs/dbraw/zinc/34/82/87/164348287.db2.gz XEMMDEJXNOWPGN-UYAOXDASSA-N 2 0 348.450 2.196 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109512 319246096 /nfs/dbraw/zinc/24/60/96/319246096.db2.gz RZYAZINKIPXTBL-MSOLQXFVSA-N 2 0 331.460 2.008 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113095 462690116 /nfs/dbraw/zinc/69/01/16/462690116.db2.gz KNQLAMGSIFHCDI-AEFFLSMTSA-N 2 0 326.444 2.303 20 30 EEEDRP CN(C(=O)CN1CC[C@@H](Oc2ccncc2)C1)C1(C#N)CCCCC1 ZINC000156390042 463016809 /nfs/dbraw/zinc/01/68/09/463016809.db2.gz VTJWNBCQPLPFMZ-QGZVFWFLSA-N 2 0 342.443 2.220 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057138949 463455857 /nfs/dbraw/zinc/45/58/57/463455857.db2.gz SBFGRZRIBVOCIA-UHFFFAOYSA-N 2 0 339.483 2.112 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000264079266 464280572 /nfs/dbraw/zinc/28/05/72/464280572.db2.gz ICUZPZJDXXEOSX-IRXDYDNUSA-N 2 0 347.507 2.195 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000264095065 464281893 /nfs/dbraw/zinc/28/18/93/464281893.db2.gz LVKGDVJNMLHTJS-OAHLLOKOSA-N 2 0 348.491 2.373 20 30 EEEDRP CCN(CC)C(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264104297 464283335 /nfs/dbraw/zinc/28/33/35/464283335.db2.gz PAFPRRWNCQPQEA-UHFFFAOYSA-N 2 0 331.508 2.245 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000176989995 464901115 /nfs/dbraw/zinc/90/11/15/464901115.db2.gz WTNIZBFHOFWYKX-UHFFFAOYSA-N 2 0 343.519 2.152 20 30 EEEDRP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000249760474 464914643 /nfs/dbraw/zinc/91/46/43/464914643.db2.gz MNRDRRJJEUXECY-DLBZAZTESA-N 2 0 327.472 2.289 20 30 EEEDRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918778 468433502 /nfs/dbraw/zinc/43/35/02/468433502.db2.gz IVTUCDHGHMANNP-MOPGFXCFSA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329879790 465460452 /nfs/dbraw/zinc/46/04/52/465460452.db2.gz MTBCIYXGHICWIA-GASCZTMLSA-N 2 0 331.464 2.294 20 30 EEEDRP Cc1c(C#N)cccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000338120220 465832105 /nfs/dbraw/zinc/83/21/05/465832105.db2.gz MDQWEMXCERCGMS-UHFFFAOYSA-N 2 0 330.476 2.212 20 30 EEEDRP CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000597212700 468481516 /nfs/dbraw/zinc/48/15/16/468481516.db2.gz AEIVBMDQYRNULX-GOSISDBHSA-N 2 0 346.519 2.477 20 30 EEEDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000423377096 466732211 /nfs/dbraw/zinc/73/22/11/466732211.db2.gz DYZCFMNROVROCY-IAQYHMDHSA-N 2 0 344.356 2.184 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000376328537 466906119 /nfs/dbraw/zinc/90/61/19/466906119.db2.gz SZCCYVRYDCWWSM-FUHWJXTLSA-N 2 0 334.508 2.295 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712035 468239022 /nfs/dbraw/zinc/23/90/22/468239022.db2.gz CRRFFGBLIPOJST-XLIONFOSSA-N 2 0 341.499 2.448 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000569919967 468562781 /nfs/dbraw/zinc/56/27/81/468562781.db2.gz ARAKJABPTNIATG-IBGZPJMESA-N 2 0 343.471 2.295 20 30 EEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C#N)cc3F)c2)CC1 ZINC000601067860 468732845 /nfs/dbraw/zinc/73/28/45/468732845.db2.gz DEFSCAKTBQWFPV-UHFFFAOYSA-N 2 0 325.391 2.456 20 30 EEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000602694083 469017254 /nfs/dbraw/zinc/01/72/54/469017254.db2.gz QLFISRJMRDNYHB-INIZCTEOSA-N 2 0 342.487 2.413 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1C#N ZINC000603119879 469272281 /nfs/dbraw/zinc/27/22/81/469272281.db2.gz NFEVCXQFWPPRTC-IBGZPJMESA-N 2 0 345.487 2.496 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723297 782132188 /nfs/dbraw/zinc/13/21/88/782132188.db2.gz KGHKMQPVVYNHMW-FRQCXROJSA-N 2 0 337.483 2.191 20 30 EEEDRP CCc1cccc(NC(=[NH2+])NCCCC[NH+]2CCN(CC)CC2)c1 ZINC000104170017 529177118 /nfs/dbraw/zinc/17/71/18/529177118.db2.gz QBCATYIIRHSBBF-UHFFFAOYSA-N 2 0 331.508 2.393 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411592 577720795 /nfs/dbraw/zinc/72/07/95/577720795.db2.gz AQRKMFGDLPNTEX-MOPGFXCFSA-N 2 0 331.460 2.024 20 30 EEEDRP CN(c1ccccc1C=[NH+]NC1CCOCC1)C1CC[NH+](C)CC1 ZINC000757592131 577860890 /nfs/dbraw/zinc/86/08/90/577860890.db2.gz IZJRHXROGAQUFL-UHFFFAOYSA-N 2 0 330.476 2.320 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCF)CC1 ZINC000969156589 674648741 /nfs/dbraw/zinc/64/87/41/674648741.db2.gz XHFLNZUQIJNIDY-SFHVURJKSA-N 2 0 337.483 2.052 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173999 675876956 /nfs/dbraw/zinc/87/69/56/675876956.db2.gz KMFMIIYVIQCVMK-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001022165758 676713054 /nfs/dbraw/zinc/71/30/54/676713054.db2.gz DWIANIIMWURDAI-MJBXVCDLSA-N 2 0 344.297 2.006 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553859 681635915 /nfs/dbraw/zinc/63/59/15/681635915.db2.gz RBCFHUOYKBYVPI-QGZVKYPTSA-N 2 0 333.520 2.321 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982605344 681782924 /nfs/dbraw/zinc/78/29/24/681782924.db2.gz KWIRRKAFDWXCLV-QRQLOZEOSA-N 2 0 328.460 2.028 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259450 682338764 /nfs/dbraw/zinc/33/87/64/682338764.db2.gz PRFPHCWJGFKOSC-QZTJIDSGSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+]2CC)CC1 ZINC001025300356 682413104 /nfs/dbraw/zinc/41/31/04/682413104.db2.gz CJAYOMYFCPQVRH-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712660 683939928 /nfs/dbraw/zinc/93/99/28/683939928.db2.gz DWIQZOOCPWPRKK-UHFFFAOYSA-N 2 0 327.432 2.256 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]12 ZINC001026429217 684633703 /nfs/dbraw/zinc/63/37/03/684633703.db2.gz UBXNQKOIBZMGPC-BPQIPLTHSA-N 2 0 343.471 2.195 20 30 EEEDRP C=C1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000896017960 684806766 /nfs/dbraw/zinc/80/67/66/684806766.db2.gz SJLNMGDRJZQEKP-UHFFFAOYSA-N 2 0 342.487 2.456 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598260 685093939 /nfs/dbraw/zinc/09/39/39/685093939.db2.gz BEAFTZZGBREBBN-PKOBYXMFSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000985154074 685989355 /nfs/dbraw/zinc/98/93/55/685989355.db2.gz BYCKLPYFLMYKSZ-RUCARUNLSA-N 2 0 345.531 2.252 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987292904 689572422 /nfs/dbraw/zinc/57/24/22/689572422.db2.gz NAPGGOMEPASYGL-ZBFHGGJFSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201259 690596536 /nfs/dbraw/zinc/59/65/36/690596536.db2.gz LSDYZCPEOFQCRO-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636393 692099288 /nfs/dbraw/zinc/09/92/88/692099288.db2.gz WOLAHCHNVXRROP-GOEBONIOSA-N 2 0 327.900 2.438 20 30 EEEDRP C=CCC[N@@H+]1CCCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000989723324 692223122 /nfs/dbraw/zinc/22/31/22/692223122.db2.gz UKUFNMZGJAQGDB-UHFFFAOYSA-N 2 0 333.501 2.217 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485727558 1191919496 /nfs/dbraw/zinc/91/94/96/1191919496.db2.gz MLSRUZVEJUEDEH-PBHICJAKSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754019214 1176898261 /nfs/dbraw/zinc/89/82/61/1176898261.db2.gz JVAXCXUOQUZIFO-CQSZACIVSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[C@H]([NH2+]CC(C)C)C(C)C)CC1 ZINC001755343674 1182005770 /nfs/dbraw/zinc/00/57/70/1182005770.db2.gz ZQKYQIUZVYHMEX-IBGZPJMESA-N 2 0 335.536 2.450 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001482429819 1185688444 /nfs/dbraw/zinc/68/84/44/1185688444.db2.gz VFBKETIOVXJLSM-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482468265 1185971064 /nfs/dbraw/zinc/97/10/64/1185971064.db2.gz ABVJDLNZFCTRRA-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563522 1188179960 /nfs/dbraw/zinc/17/99/60/1188179960.db2.gz ONLNFQGEUGGWPC-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001409565105 1190041756 /nfs/dbraw/zinc/04/17/56/1190041756.db2.gz LMJCWIOHMASFFM-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034399313 1196190178 /nfs/dbraw/zinc/19/01/78/1196190178.db2.gz SHWXGZXWXXHBRM-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134739277 1199781888 /nfs/dbraw/zinc/78/18/88/1199781888.db2.gz BQZHIDJRGLQGCS-IRXDYDNUSA-N 2 0 339.524 2.184 20 30 EEEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])N2CCCCC2)CC1 ZINC000104166075 1204611611 /nfs/dbraw/zinc/61/16/11/1204611611.db2.gz RFSJKDNUBHBTAS-UHFFFAOYSA-N 2 0 343.519 2.125 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)c1 ZINC000925701856 1206145021 /nfs/dbraw/zinc/14/50/21/1206145021.db2.gz HDCKWXFAKHTYLU-UGKANONSSA-N 2 0 336.483 2.109 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536009 1208610557 /nfs/dbraw/zinc/61/05/57/1208610557.db2.gz BZPXCAQWULTTSB-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536941 1208610857 /nfs/dbraw/zinc/61/08/57/1208610857.db2.gz KDHQTBPKHIQEFT-HUUCEWRRSA-N 2 0 325.416 2.036 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947536933 1208611093 /nfs/dbraw/zinc/61/10/93/1208611093.db2.gz KDHQTBPKHIQEFT-CABCVRRESA-N 2 0 325.416 2.036 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(F)F ZINC000303770293 1213903567 /nfs/dbraw/zinc/90/35/67/1213903567.db2.gz BVJLSJCWJIWZBZ-ZDUSSCGKSA-N 2 0 326.391 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037279758 1216291289 /nfs/dbraw/zinc/29/12/89/1216291289.db2.gz SUJFPJWXTRTKEW-PMACEKPBSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960274623 1216465216 /nfs/dbraw/zinc/46/52/16/1216465216.db2.gz AGLNSBQOIGTVJS-HSALFYBXSA-N 2 0 339.483 2.112 20 30 EEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961266360 1217118080 /nfs/dbraw/zinc/11/80/80/1217118080.db2.gz XFBIBWNGUODSJE-OALUTQOASA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CC=C)C3)C2)CC1 ZINC000961292504 1217131585 /nfs/dbraw/zinc/13/15/85/1217131585.db2.gz JPPTZJGLMGNSDA-PMACEKPBSA-N 2 0 343.515 2.078 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328373 1217523916 /nfs/dbraw/zinc/52/39/16/1217523916.db2.gz OFLMBJSYNKITAT-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000963727920 1217999284 /nfs/dbraw/zinc/99/92/84/1217999284.db2.gz ISYKKSALZKOHJG-UHFFFAOYSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(Cl)CN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970731 1225906005 /nfs/dbraw/zinc/90/60/05/1225906005.db2.gz REQQNEPLGVHCNL-INIZCTEOSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@@H]1CC ZINC001037966683 1220796319 /nfs/dbraw/zinc/79/63/19/1220796319.db2.gz MLZIMUZSPFFAPQ-DOTOQJQBSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C)CC1 ZINC000968680614 1221487034 /nfs/dbraw/zinc/48/70/34/1221487034.db2.gz BWYSTPNSLSSOQI-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702183 1226797365 /nfs/dbraw/zinc/79/73/65/1226797365.db2.gz LUOIMMKNCQZSGW-QZTJIDSGSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131505 1230340408 /nfs/dbraw/zinc/34/04/08/1230340408.db2.gz NXZZYWZOYALSER-RBUKOAKNSA-N 2 0 331.504 2.075 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039165937 1230388623 /nfs/dbraw/zinc/38/86/23/1230388623.db2.gz VACZFQSGNFSYPL-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001039298307 1230515042 /nfs/dbraw/zinc/51/50/42/1230515042.db2.gz UWECDCJCYKRAOU-KVMCETHSSA-N 2 0 349.494 2.334 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329220 1231172857 /nfs/dbraw/zinc/17/28/57/1231172857.db2.gz SJNUFNFWCRUNLC-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268374 1231993900 /nfs/dbraw/zinc/99/39/00/1231993900.db2.gz CJNIBOBMRRKAEX-ICSRJNTNSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054830616 1249176568 /nfs/dbraw/zinc/17/65/68/1249176568.db2.gz OTXLUHZNRNPSBP-MEDUHNTESA-N 2 0 332.835 2.445 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001045092845 1233497488 /nfs/dbraw/zinc/49/74/88/1233497488.db2.gz GUNUMWNQJYDBET-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961138 1234236226 /nfs/dbraw/zinc/23/62/26/1234236226.db2.gz HMNXQRAIONJSCZ-CTNGQTDRSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979841 1234269461 /nfs/dbraw/zinc/26/94/61/1234269461.db2.gz KJLQOEKCSHRELB-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@@H+](CCC)C3)C2)CC1 ZINC001045986397 1234281976 /nfs/dbraw/zinc/28/19/76/1234281976.db2.gz POACWELZMMXMMM-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(=C)Cl)C3)CC1 ZINC001047209201 1235672823 /nfs/dbraw/zinc/67/28/23/1235672823.db2.gz RHLOQZCJQHSDLP-SZMVWBNQSA-N 2 0 349.906 2.053 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001047238293 1235720348 /nfs/dbraw/zinc/72/03/48/1235720348.db2.gz DTGCLOOVJFTUNY-PMACEKPBSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCF)CC2)C1 ZINC001047245094 1235737173 /nfs/dbraw/zinc/73/71/73/1235737173.db2.gz WSPOAYVYAPBSLH-OALUTQOASA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001047246014 1235740331 /nfs/dbraw/zinc/74/03/31/1235740331.db2.gz GIEBHLXMSVZJNR-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819536 1238736597 /nfs/dbraw/zinc/73/65/97/1238736597.db2.gz UUKIFVOXUUOMFI-NXOAAHMSSA-N 2 0 337.895 2.004 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048960366 1239580814 /nfs/dbraw/zinc/58/08/14/1239580814.db2.gz YRCCANDYNRLMCU-IXDOHACOSA-N 2 0 337.895 2.004 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477928 1241074125 /nfs/dbraw/zinc/07/41/25/1241074125.db2.gz KLVLWUAEKJYOFO-ROUUACIJSA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001000862541 1241075239 /nfs/dbraw/zinc/07/52/39/1241075239.db2.gz PKRDKWWBZPLRIK-KRWDZBQOSA-N 2 0 328.460 2.160 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001000991975 1241398354 /nfs/dbraw/zinc/39/83/54/1241398354.db2.gz KXBLDYDBVMLLAE-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC2CCC2)CC1 ZINC001049909422 1242657012 /nfs/dbraw/zinc/65/70/12/1242657012.db2.gz AXGQHWLZONKQLV-WOJBJXKFSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001053106119 1245922151 /nfs/dbraw/zinc/92/21/51/1245922151.db2.gz SGYVWRXPEKUNOV-IEBWSBKVSA-N 2 0 342.487 2.377 20 30 EEEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054060436 1247271771 /nfs/dbraw/zinc/27/17/71/1247271771.db2.gz MSVJSUFMTOWUDC-VQTJNVASSA-N 2 0 341.499 2.447 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145088 1247516015 /nfs/dbraw/zinc/51/60/15/1247516015.db2.gz JXZXCABODDDIER-SJLPKXTDSA-N 2 0 339.911 2.394 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171302 1247598140 /nfs/dbraw/zinc/59/81/40/1247598140.db2.gz OCPLRKISYYYFHZ-ICSRJNTNSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001099556032 1258205934 /nfs/dbraw/zinc/20/59/34/1258205934.db2.gz FCTMUSRIGUSOBX-VJANTYMQSA-N 2 0 333.520 2.462 20 30 EEEDRP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001026464879 1276815912 /nfs/dbraw/zinc/81/59/12/1276815912.db2.gz ZUZFWYQUKRZVCT-JXQTWKCFSA-N 2 0 344.297 2.006 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191283128 1281299895 /nfs/dbraw/zinc/29/98/95/1281299895.db2.gz FIAZTHFNARUUIH-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP CCc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N ZINC001197282642 1284547338 /nfs/dbraw/zinc/54/73/38/1284547338.db2.gz YWIXJLCTBHFQDX-UHFFFAOYSA-N 2 0 344.503 2.466 20 30 EEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198983994 1285460764 /nfs/dbraw/zinc/46/07/64/1285460764.db2.gz LLBNOFLRQJCLMX-WMZOPIPTSA-N 2 0 345.487 2.360 20 30 EEEDRP C[NH+]1CCN(c2cc(-n3ccc4c3cc(C#N)cc4N)cc[nH+]2)CC1 ZINC001201666874 1289704764 /nfs/dbraw/zinc/70/47/64/1289704764.db2.gz HMNPGKTZTCKAHJ-UHFFFAOYSA-N 2 0 332.411 2.231 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126769 1295694946 /nfs/dbraw/zinc/69/49/46/1295694946.db2.gz VKKVKZKDKWBIPR-SFHVURJKSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734793 1296074213 /nfs/dbraw/zinc/07/42/13/1296074213.db2.gz QDJIXLBYNXCABA-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588439 1296097820 /nfs/dbraw/zinc/09/78/20/1296097820.db2.gz HDXNBBWCCRYFSX-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213721377 1296147167 /nfs/dbraw/zinc/14/71/67/1296147167.db2.gz MNTVNEXFYDQFJZ-KZNAEPCWSA-N 2 0 339.524 2.114 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801667 1297544153 /nfs/dbraw/zinc/54/41/53/1297544153.db2.gz RFDRVMSXEHVRAW-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001220600226 1298469750 /nfs/dbraw/zinc/46/97/50/1298469750.db2.gz FLUWJHHKGBGMQU-MSOLQXFVSA-N 2 0 336.524 2.469 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345745 1299064344 /nfs/dbraw/zinc/06/43/44/1299064344.db2.gz RNKRKBKGFBIHKO-KFWWJZLASA-N 2 0 347.425 2.416 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001224253134 1300511096 /nfs/dbraw/zinc/51/10/96/1300511096.db2.gz GWNJWDHTFSZCEF-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224558083 1300646889 /nfs/dbraw/zinc/64/68/89/1300646889.db2.gz ABEKWAURACYERJ-LJQANCHMSA-N 2 0 337.483 2.050 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001102524892 1301184057 /nfs/dbraw/zinc/18/40/57/1301184057.db2.gz CCPLZBSSURECNT-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994128 1302039389 /nfs/dbraw/zinc/03/93/89/1302039389.db2.gz RNYAHFQYFJPFNZ-XYPHTWIQSA-N 2 0 339.911 2.155 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001228365390 1302226622 /nfs/dbraw/zinc/22/66/22/1302226622.db2.gz DUCJTOKUEVGVJX-QZTJIDSGSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001103269857 1302621056 /nfs/dbraw/zinc/62/10/56/1302621056.db2.gz SBYWTNZBBCYPCW-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001231622760 1303868501 /nfs/dbraw/zinc/86/85/01/1303868501.db2.gz HKTUXFQEQJRWBX-VQTJNVASSA-N 2 0 329.488 2.462 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157746 1304284906 /nfs/dbraw/zinc/28/49/06/1304284906.db2.gz AYDUCDOZYURIDR-HUUCEWRRSA-N 2 0 347.425 2.273 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(C#N)c(F)cc3F)CC2)CC1 ZINC001237538056 1305971757 /nfs/dbraw/zinc/97/17/57/1305971757.db2.gz SMWIJJZDXXVRJF-UHFFFAOYSA-N 2 0 348.441 2.296 20 30 EEEDRP N#Cc1cc(-c2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)cc(C2C[NH2+]C2)c1 ZINC001240345990 1309308218 /nfs/dbraw/zinc/30/82/18/1309308218.db2.gz XEUOVEZNGLNLNE-SFHVURJKSA-N 2 0 344.422 2.379 20 30 EEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001121123781 1309923023 /nfs/dbraw/zinc/92/30/23/1309923023.db2.gz YQBMBHGNBGGQLL-QAELIBMJSA-N 2 0 331.504 2.311 20 30 EEEDRP C#CC[NH2+]CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001121902741 1310169337 /nfs/dbraw/zinc/16/93/37/1310169337.db2.gz DYELBTFVTFGYMN-IRXDYDNUSA-N 2 0 327.472 2.004 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001122039087 1310205480 /nfs/dbraw/zinc/20/54/80/1310205480.db2.gz GZSCYOCZBRDCFZ-UHFFFAOYSA-N 2 0 343.515 2.149 20 30 EEEDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[NH2+]C1 ZINC001246104596 1310236005 /nfs/dbraw/zinc/23/60/05/1310236005.db2.gz KMYBETROUXIZIS-BEFAXECRSA-N 2 0 340.471 2.141 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246314627 1310279254 /nfs/dbraw/zinc/27/92/54/1310279254.db2.gz XTVGHSDAIGAQQN-IKGGRYGDSA-N 2 0 325.497 2.114 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246422543 1310307527 /nfs/dbraw/zinc/30/75/27/1310307527.db2.gz JIFXUEWFPXPNJC-IRXDYDNUSA-N 2 0 332.879 2.195 20 30 EEEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246514073 1310330909 /nfs/dbraw/zinc/33/09/09/1310330909.db2.gz YQICQRYBTSDDGO-ACBHZAAOSA-N 2 0 342.487 2.418 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203026730 1314873575 /nfs/dbraw/zinc/87/35/75/1314873575.db2.gz ARGRLXIODGNGEW-ZIAGYGMSSA-N 2 0 325.884 2.240 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142911753 1315797724 /nfs/dbraw/zinc/79/77/24/1315797724.db2.gz IHSKHHRGZDDRNO-UHFFFAOYSA-N 2 0 339.487 2.499 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152138319 1316637618 /nfs/dbraw/zinc/63/76/18/1316637618.db2.gz UWBJGAZHNYMEMJ-HZPDHXFCSA-N 2 0 347.890 2.270 20 30 EEEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001152557212 1316688768 /nfs/dbraw/zinc/68/87/68/1316688768.db2.gz VNROHTQAWBSJEW-IAGOWNOFSA-N 2 0 327.513 2.114 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252469009 1317609575 /nfs/dbraw/zinc/60/95/75/1317609575.db2.gz SZXPRCBMQYTRTN-WOJBJXKFSA-N 2 0 330.472 2.148 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341206 1317970702 /nfs/dbraw/zinc/97/07/02/1317970702.db2.gz AMHNQVXGEUFJBF-XLIONFOSSA-N 2 0 329.488 2.313 20 30 EEEDRP Cc1ccc([C@H](C#N)c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)cc1 ZINC001157094890 1318397979 /nfs/dbraw/zinc/39/79/79/1318397979.db2.gz YDOFHPQNISZOEW-HNNXBMFYSA-N 2 0 337.431 2.116 20 30 EEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc3c(c1C#N)CCC[NH2+]C3)C2 ZINC001160466059 1320169346 /nfs/dbraw/zinc/16/93/46/1320169346.db2.gz PLPAUAMSPUNJTH-PHZGNYQRSA-N 2 0 325.460 2.416 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383429 1320482163 /nfs/dbraw/zinc/48/21/63/1320482163.db2.gz XNUDKUIOMMJUBO-SFHVURJKSA-N 2 0 331.504 2.413 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](C/C=C/Cl)CC2)CC1 ZINC001161947104 1320689724 /nfs/dbraw/zinc/68/97/24/1320689724.db2.gz YDTXSKAGOYPHRT-YCRREMRBSA-N 2 0 349.906 2.223 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162458357 1320861107 /nfs/dbraw/zinc/86/11/07/1320861107.db2.gz GSSWGVVIGJGEOU-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001162924061 1320989455 /nfs/dbraw/zinc/98/94/55/1320989455.db2.gz GHJHEQBBJVELLG-LJQANCHMSA-N 2 0 331.504 2.420 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001162928088 1320989796 /nfs/dbraw/zinc/98/97/96/1320989796.db2.gz FAXKRXMKZXWJET-HKUYNNGSSA-N 2 0 329.488 2.031 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162959832 1320997112 /nfs/dbraw/zinc/99/71/12/1320997112.db2.gz CBFPMEUUPNWZND-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001164574220 1321421925 /nfs/dbraw/zinc/42/19/25/1321421925.db2.gz BTYDAZUWPLWLIW-WMZOPIPTSA-N 2 0 345.462 2.003 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569296 1321546770 /nfs/dbraw/zinc/54/67/70/1321546770.db2.gz VSCRVKZFNUIUKU-OAHLLOKOSA-N 2 0 327.900 2.489 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165736160 1321574655 /nfs/dbraw/zinc/57/46/55/1321574655.db2.gz IGJCUCSOLQBFKY-QZTJIDSGSA-N 2 0 349.519 2.082 20 30 EEEDRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001165776905 1321583170 /nfs/dbraw/zinc/58/31/70/1321583170.db2.gz NRLJYHNLQCCVLI-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633516 1321928789 /nfs/dbraw/zinc/92/87/89/1321928789.db2.gz YDRLUOUBNMRAOO-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001204057634 1322026498 /nfs/dbraw/zinc/02/64/98/1322026498.db2.gz UVOQPZONWGQQIN-UHFFFAOYSA-N 2 0 331.460 2.339 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206079614 1323389259 /nfs/dbraw/zinc/38/92/59/1323389259.db2.gz NKXGPWGHVLSZKE-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538710 1324011969 /nfs/dbraw/zinc/01/19/69/1324011969.db2.gz UTJOLCAEVMBFHE-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631609 1324994473 /nfs/dbraw/zinc/99/44/73/1324994473.db2.gz FSPBPEGMDHTBFA-ICSRJNTNSA-N 2 0 339.483 2.103 20 30 EEEDRP N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CC[NH3+])C2)sc2c1CCC2 ZINC001580056370 1344460556 /nfs/dbraw/zinc/46/05/56/1344460556.db2.gz BDIRVWSJGZLBHS-GFCCVEGCSA-N 2 0 332.473 2.108 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCCO1 ZINC001200866647 1368763499 /nfs/dbraw/zinc/76/34/99/1368763499.db2.gz WKIBXSLGCQAWCB-QGZVFWFLSA-N 2 0 342.443 2.040 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410527 1371433876 /nfs/dbraw/zinc/43/38/76/1371433876.db2.gz CFAVTBMHZBDFAZ-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001121854412 1371929226 /nfs/dbraw/zinc/92/92/26/1371929226.db2.gz OIIKCOMRXIUZCT-FUSSNKQKSA-N 2 0 331.504 2.291 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001369257568 1374517872 /nfs/dbraw/zinc/51/78/72/1374517872.db2.gz SNWMSLPMYNXVLE-KDOFPFPSSA-N 2 0 348.466 2.220 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001371880397 1375663573 /nfs/dbraw/zinc/66/35/73/1375663573.db2.gz JKDKJSKXKFBKSB-MAUKXSAKSA-N 2 0 330.476 2.129 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001377611288 1379383156 /nfs/dbraw/zinc/38/31/56/1379383156.db2.gz ZTMZHUVRPKJUMH-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001378302944 1379852631 /nfs/dbraw/zinc/85/26/31/1379852631.db2.gz ZXEQMMNKYSWOET-HNNXBMFYSA-N 2 0 348.516 2.336 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001379936487 1380950647 /nfs/dbraw/zinc/95/06/47/1380950647.db2.gz YJPQOKDDDSXITJ-MRXNPFEDSA-N 2 0 327.900 2.344 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001391768962 1389585277 /nfs/dbraw/zinc/58/52/77/1389585277.db2.gz JSOUPSQOYBYVIF-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccc(C#N)s1 ZINC001391900482 1389697422 /nfs/dbraw/zinc/69/74/22/1389697422.db2.gz FPMQLUQODVTAEO-AWEZNQCLSA-N 2 0 346.500 2.090 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001393881500 1390574243 /nfs/dbraw/zinc/57/42/43/1390574243.db2.gz GMOPIDWUSPLHTP-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122967 1390623117 /nfs/dbraw/zinc/62/31/17/1390623117.db2.gz GOZNPFRTOYLJLF-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001753723192 1406766055 /nfs/dbraw/zinc/76/60/55/1406766055.db2.gz GYKXRRCZQFHAHB-MRXNPFEDSA-N 2 0 349.906 2.470 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(C#N)c1 ZINC001402936629 1398289939 /nfs/dbraw/zinc/28/99/39/1398289939.db2.gz ZUNQMOIZAYZYBH-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001423317402 1400516722 /nfs/dbraw/zinc/51/67/22/1400516722.db2.gz FEMHGRNVFMCMDU-CZUORRHYSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[C@]1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001574518131 1403521874 /nfs/dbraw/zinc/52/18/74/1403521874.db2.gz VLPPVQJVIFAXDZ-OAQYLSRUSA-N 2 0 339.483 2.255 20 30 EEEDRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[NH2+][C@H]21 ZINC001576385819 1403570759 /nfs/dbraw/zinc/57/07/59/1403570759.db2.gz YQLFBIIPUFBICK-CGTJXYLNSA-N 2 0 326.444 2.253 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454085 760708821 /nfs/dbraw/zinc/70/88/21/760708821.db2.gz KTWKWOTZRZMSLM-FXAWDEMLSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112514947 760805129 /nfs/dbraw/zinc/80/51/29/760805129.db2.gz PHDUTFKWGOQCSY-DYXWJJEUSA-N 2 0 345.531 2.350 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461986 760943914 /nfs/dbraw/zinc/94/39/14/760943914.db2.gz YEQOFHOIFWDFRX-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087310600 761583068 /nfs/dbraw/zinc/58/30/68/761583068.db2.gz ZQNAWRUSBVXFOG-YZGWKJHDSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104754004 765206624 /nfs/dbraw/zinc/20/66/24/765206624.db2.gz YSFKKKHHTZUKCS-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP C[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154636637 768886073 /nfs/dbraw/zinc/88/60/73/768886073.db2.gz WDVIACXPNZVXFB-CRAIPNDOSA-N 2 0 330.476 2.346 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089868546 782931852 /nfs/dbraw/zinc/93/18/52/782931852.db2.gz DCCHGZCDANIEIJ-YRPNKDGESA-N 2 0 345.531 2.463 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980004970 773701078 /nfs/dbraw/zinc/70/10/78/773701078.db2.gz WQKKDGAQBLMQAG-RCCFBDPRSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089652712 773850882 /nfs/dbraw/zinc/85/08/82/773850882.db2.gz KNXQZTWRHGLEPI-OALUTQOASA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779654 783196010 /nfs/dbraw/zinc/19/60/10/783196010.db2.gz SFXFERCQZMHVJX-SIXLDLHFSA-N 2 0 339.911 2.107 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089819018 776777146 /nfs/dbraw/zinc/77/71/46/776777146.db2.gz DKISGFVIKRKAMX-NQYYFHDYSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653756 790550794 /nfs/dbraw/zinc/55/07/94/790550794.db2.gz RAXPHCTZAMYJSP-PKOBYXMFSA-N 2 0 333.520 2.347 20 30 EEEDRP CC[C@@H](C(=O)N1CCCN(CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC000981977211 778736394 /nfs/dbraw/zinc/73/63/94/778736394.db2.gz YUCCMZBQCCGRKI-IBGZPJMESA-N 2 0 345.462 2.052 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261690517 780328827 /nfs/dbraw/zinc/32/88/27/780328827.db2.gz RUTJZSFZNVZEEF-FJIDUMEYSA-N 2 0 346.519 2.080 20 30 EEEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC001135477380 783866211 /nfs/dbraw/zinc/86/62/11/783866211.db2.gz FUEPGBSSJNFTHH-GOSISDBHSA-N 2 0 348.466 2.270 20 30 EEEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184334 784020142 /nfs/dbraw/zinc/02/01/42/784020142.db2.gz HVJRTMPJEKKSMQ-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244895 784178133 /nfs/dbraw/zinc/17/81/33/784178133.db2.gz WHRDMFWNMZSTLO-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706826 784989514 /nfs/dbraw/zinc/98/95/14/784989514.db2.gz RDHVCMDIQYUUNM-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836216 785257794 /nfs/dbraw/zinc/25/77/94/785257794.db2.gz JBSRSYWILYIOSY-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552160 787608102 /nfs/dbraw/zinc/60/81/02/787608102.db2.gz HMLMLZCYVVBBOK-YLJYHZDGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831410 788347108 /nfs/dbraw/zinc/34/71/08/788347108.db2.gz YNAWLPROWUCPNZ-KDURUIRLSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH2+]C)CC2)c(OC)c1 ZINC000923291456 789300867 /nfs/dbraw/zinc/30/08/67/789300867.db2.gz SPVCLAFHGFKSMT-SFHVURJKSA-N 2 0 348.487 2.095 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCC3CC3)CC2)CC1 ZINC000997433685 789903398 /nfs/dbraw/zinc/90/33/98/789903398.db2.gz IYONUPZGYPRFPR-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000998084546 791936975 /nfs/dbraw/zinc/93/69/75/791936975.db2.gz BNSOSJMWISMRJC-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292680 792332103 /nfs/dbraw/zinc/33/21/03/792332103.db2.gz POVNESHCRHLPEE-ZWKOTPCHSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999033848 793691602 /nfs/dbraw/zinc/69/16/02/793691602.db2.gz QFBRVVMECKEVLA-GPANFISMSA-N 2 0 327.900 2.438 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992408395 793983269 /nfs/dbraw/zinc/98/32/69/793983269.db2.gz RSVTZVDJIDRPQD-PZJWPPBQSA-N 2 0 343.515 2.245 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079185523 794465036 /nfs/dbraw/zinc/46/50/36/794465036.db2.gz VCKZJLYWEIAZSS-DQEVTTJGSA-N 2 0 345.462 2.236 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810431 795215665 /nfs/dbraw/zinc/21/56/65/795215665.db2.gz BKLFQAKRUCPPDY-CVEARBPZSA-N 2 0 325.884 2.004 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836350 795347684 /nfs/dbraw/zinc/34/76/84/795347684.db2.gz PJDVNVGGIFZKDI-SJORKVTESA-N 2 0 339.911 2.394 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001040510000 795444186 /nfs/dbraw/zinc/44/41/86/795444186.db2.gz KXGCATXQAARYNJ-PMACEKPBSA-N 2 0 331.504 2.363 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036860013 795511264 /nfs/dbraw/zinc/51/12/64/795511264.db2.gz ZIERXXMYJPSQIL-RBUKOAKNSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H]1C ZINC000993339062 796426151 /nfs/dbraw/zinc/42/61/51/796426151.db2.gz QVFGDNRAHIKZIQ-WBVHZDCISA-N 2 0 330.476 2.307 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001112546022 806508078 /nfs/dbraw/zinc/50/80/78/806508078.db2.gz OZEYPURBLDQQGE-FPOVZHCZSA-N 2 0 339.483 2.213 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586921 796633962 /nfs/dbraw/zinc/63/39/62/796633962.db2.gz VXAATLDHOWJQSP-INIZCTEOSA-N 2 0 327.513 2.184 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1 ZINC001081118509 796659135 /nfs/dbraw/zinc/65/91/35/796659135.db2.gz HVPSTSXJJLAHAE-XUVXKRRUSA-N 2 0 339.483 2.098 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081214013 796673853 /nfs/dbraw/zinc/67/38/53/796673853.db2.gz ZWTBKIBOZSPKLS-YSIASYRMSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993577213 796805732 /nfs/dbraw/zinc/80/57/32/796805732.db2.gz PUZWRFHMODJRNB-GOEBONIOSA-N 2 0 325.416 2.036 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211884 797392903 /nfs/dbraw/zinc/39/29/03/797392903.db2.gz ZPOYJZACOBBDNB-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203255795 797514647 /nfs/dbraw/zinc/51/46/47/797514647.db2.gz FHISRFZIHGQRQJ-DLBZAZTESA-N 2 0 349.519 2.080 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[NH+](C)C ZINC001175056301 797979861 /nfs/dbraw/zinc/97/98/61/797979861.db2.gz LRGSFBTWPMTGIU-MRXNPFEDSA-N 2 0 330.476 2.275 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663309 798354521 /nfs/dbraw/zinc/35/45/21/798354521.db2.gz WOGVCUXZDHRXFJ-GPMSIDNRSA-N 2 0 337.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001176930666 798633712 /nfs/dbraw/zinc/63/37/12/798633712.db2.gz PKMSBLQCOGTQAJ-MRXNPFEDSA-N 2 0 345.462 2.328 20 30 EEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001177320019 798858346 /nfs/dbraw/zinc/85/83/46/798858346.db2.gz YFCSNMHAEAFFTG-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003373018 799576396 /nfs/dbraw/zinc/57/63/96/799576396.db2.gz POKGBZWBVZFJGB-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179539118 799982504 /nfs/dbraw/zinc/98/25/04/799982504.db2.gz PAWWSYGKEOCTHI-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001181477388 800812933 /nfs/dbraw/zinc/81/29/33/800812933.db2.gz XRWYUQZWRGAAES-YLJYHZDGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525598 800815775 /nfs/dbraw/zinc/81/57/75/800815775.db2.gz NGZDUFDGKQEWJB-DNNBLBMLSA-N 2 0 327.900 2.153 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001182346419 801129703 /nfs/dbraw/zinc/12/97/03/801129703.db2.gz OSRBXSKMTVOBSS-YFVAEKQCSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cn1 ZINC001085922511 801667302 /nfs/dbraw/zinc/66/73/02/801667302.db2.gz FMMAHHOCNUVDEH-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004450532 802072018 /nfs/dbraw/zinc/07/20/18/802072018.db2.gz MUOVBRKOPHMONA-QRQLOZEOSA-N 2 0 331.504 2.053 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001185248637 802421390 /nfs/dbraw/zinc/42/13/90/802421390.db2.gz JGQFJEVRHAPDQH-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221522 802530674 /nfs/dbraw/zinc/53/06/74/802530674.db2.gz XKQFSLWSTLCDDT-XUWVNRHRSA-N 2 0 325.884 2.240 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082707 802958014 /nfs/dbraw/zinc/95/80/14/802958014.db2.gz HATNCVUIWMADSH-ZWKOTPCHSA-N 2 0 341.540 2.240 20 30 EEEDRP CC(=O)N1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527590 803825498 /nfs/dbraw/zinc/82/54/98/803825498.db2.gz XICTWEGQPGGMMW-UFYCRDLUSA-N 2 0 340.471 2.251 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797686 804053195 /nfs/dbraw/zinc/05/31/95/804053195.db2.gz IYRWSKICJGCWSR-KBPBESRZSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001108780542 804502209 /nfs/dbraw/zinc/50/22/09/804502209.db2.gz FUJPKPIBLLQPQP-OTWHNJEPSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609613 810042674 /nfs/dbraw/zinc/04/26/74/810042674.db2.gz OPJNQKYGRILYKQ-NZSAHSFTSA-N 2 0 327.472 2.241 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430707 810849749 /nfs/dbraw/zinc/84/97/49/810849749.db2.gz WFUZQMLMDGFDCB-AWEZNQCLSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CCCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CC)C1 ZINC001130439406 811670207 /nfs/dbraw/zinc/67/02/07/811670207.db2.gz RPUYXBKBFPPJPT-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438545317 1091037519 /nfs/dbraw/zinc/03/75/19/1091037519.db2.gz BHLTZOLGZNXDLA-KRWDZBQOSA-N 2 0 342.487 2.276 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438553373 1091045455 /nfs/dbraw/zinc/04/54/55/1091045455.db2.gz QGNIMJWUXVEXFR-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001448975503 1093979038 /nfs/dbraw/zinc/97/90/38/1093979038.db2.gz IFLNENKKYIAPAQ-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CN1C(=O)CCC[NH+](C)C ZINC001441847757 1095930914 /nfs/dbraw/zinc/93/09/14/1095930914.db2.gz YPCXDITYLAZLMW-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001444500827 1099228818 /nfs/dbraw/zinc/22/88/18/1099228818.db2.gz MBOPDFKCRSLPTP-ZDUSSCGKSA-N 2 0 344.297 2.008 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444686472 1099535389 /nfs/dbraw/zinc/53/53/89/1099535389.db2.gz DIRCZVJYWLZXGU-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001496906510 1101700831 /nfs/dbraw/zinc/70/08/31/1101700831.db2.gz CWNQERMQUMQAFI-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP CC[NH+]1CCC(NC(=O)CN2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000329621790 465390500 /nfs/dbraw/zinc/39/05/00/465390500.db2.gz FQIOKVNUQDZAJH-UHFFFAOYSA-N 2 0 345.443 2.301 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000491619709 468361188 /nfs/dbraw/zinc/36/11/88/468361188.db2.gz MMODBIUPLDLZQJ-PKOBYXMFSA-N 2 0 327.472 2.016 20 30 EEEDRP [NH2+]=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccc2c1CCCC2 ZINC000178421693 463897961 /nfs/dbraw/zinc/89/79/61/463897961.db2.gz UWMUVPMARRZTTB-INIZCTEOSA-N 2 0 330.476 2.139 20 30 EEEDRP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068170 464278018 /nfs/dbraw/zinc/27/80/18/464278018.db2.gz BZVPPYSDEMCPJI-HOTGVXAUSA-N 2 0 335.496 2.051 20 30 EEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000267910847 464944984 /nfs/dbraw/zinc/94/49/84/464944984.db2.gz ZLPNDVAJVCSOCD-LJQANCHMSA-N 2 0 332.492 2.483 20 30 EEEDRP COc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000377620509 467098453 /nfs/dbraw/zinc/09/84/53/467098453.db2.gz DWCTWNVGBBMHQE-IBGZPJMESA-N 2 0 342.487 2.167 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)C(C)C ZINC000457754616 467697145 /nfs/dbraw/zinc/69/71/45/467697145.db2.gz RDQSWIOCVJEODO-OKZBNKHCSA-N 2 0 334.508 2.031 20 30 EEEDRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(CCC#N)CC1)c1ccccc1 ZINC000592135152 468633246 /nfs/dbraw/zinc/63/32/46/468633246.db2.gz DOCNYVSLHJZJOH-LJQANCHMSA-N 2 0 342.487 2.421 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000596066329 469137392 /nfs/dbraw/zinc/13/73/92/469137392.db2.gz CRRLVQIGYFIPHS-IBGZPJMESA-N 2 0 343.471 2.010 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000995225079 782132209 /nfs/dbraw/zinc/13/22/09/782132209.db2.gz BXVPIBRRJPDSGS-QUCCMNQESA-N 2 0 345.531 2.396 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000106340703 526585507 /nfs/dbraw/zinc/58/55/07/526585507.db2.gz QRSAFWPDYPQDAX-UHFFFAOYSA-N 2 0 336.524 2.400 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000106335918 526590771 /nfs/dbraw/zinc/59/07/71/526590771.db2.gz GMIKRBJBYSVSGQ-KRWDZBQOSA-N 2 0 336.524 2.447 20 30 EEEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+]1CCCC1 ZINC000969560451 675104005 /nfs/dbraw/zinc/10/40/05/675104005.db2.gz RNIRLTHFQCRASX-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000970131761 675546667 /nfs/dbraw/zinc/54/66/67/675546667.db2.gz RRAZFEUVEFQTBS-OAHLLOKOSA-N 2 0 339.443 2.284 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC000971785816 676790931 /nfs/dbraw/zinc/79/09/31/676790931.db2.gz ZGMVUMRRABYODG-FUHWJXTLSA-N 2 0 346.450 2.070 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000104183206 678006524 /nfs/dbraw/zinc/00/65/24/678006524.db2.gz NQGZZDQZEOBNCH-UHFFFAOYSA-N 2 0 347.507 2.228 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023122774 679133829 /nfs/dbraw/zinc/13/38/29/679133829.db2.gz DOUQYEXSECJKDW-KPWCQOOUSA-N 2 0 344.297 2.005 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024648888 681319421 /nfs/dbraw/zinc/31/94/21/681319421.db2.gz NDXYURAWOSXPNZ-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC=C(C)C)CC1 ZINC001024811878 681464257 /nfs/dbraw/zinc/46/42/57/681464257.db2.gz DFKTVJWNFFORKZ-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C[C@@H](F)CC)CC1 ZINC001024813234 681466457 /nfs/dbraw/zinc/46/64/57/681466457.db2.gz WURYTXVGCMUTHH-ROUUACIJSA-N 2 0 337.483 2.050 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813914 681466865 /nfs/dbraw/zinc/46/68/65/681466865.db2.gz JJJCOUBGSXOXFA-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642171 681950397 /nfs/dbraw/zinc/95/03/97/681950397.db2.gz QQQNIIZMYGSNHH-JYRKZWEQSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001025277043 682382091 /nfs/dbraw/zinc/38/20/91/682382091.db2.gz MSEWZHWBNYLXGT-RBUKOAKNSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000262022533 682877873 /nfs/dbraw/zinc/87/78/73/682877873.db2.gz ZCAJZJSCIODAQM-GOSISDBHSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801459 683970002 /nfs/dbraw/zinc/97/00/02/683970002.db2.gz NGQQNAYCVRSGEA-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP CC1CC[NH+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000303893503 686935792 /nfs/dbraw/zinc/93/57/92/686935792.db2.gz OFTADJQQRUKDLZ-UHFFFAOYSA-N 2 0 332.448 2.306 20 30 EEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880098 1192633579 /nfs/dbraw/zinc/63/35/79/1192633579.db2.gz HXUWSYJICGMCOZ-MANSERQUSA-N 2 0 331.504 2.073 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001107039806 1192997042 /nfs/dbraw/zinc/99/70/42/1192997042.db2.gz ZGIJWKZNZZNNIN-VQIMIIECSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCC=C)CC2)CC1 ZINC001168320668 1188291191 /nfs/dbraw/zinc/29/11/91/1188291191.db2.gz JFQKLVBVCKPUSM-UHFFFAOYSA-N 2 0 331.504 2.174 20 30 EEEDRP C#CCN1c2ccccc2[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272869769 1193585672 /nfs/dbraw/zinc/58/56/72/1193585672.db2.gz BEYOWLUITWBJEJ-NRFANRHFSA-N 2 0 339.483 2.198 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711014 1195785095 /nfs/dbraw/zinc/78/50/95/1195785095.db2.gz KBUWRDSXTNLGBI-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273143438 1197001192 /nfs/dbraw/zinc/00/11/92/1197001192.db2.gz HDYQUUFWTDRMAK-QZTJIDSGSA-N 2 0 332.492 2.087 20 30 EEEDRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CC#Cc2ccccc2)cc1 ZINC001133893273 1199149908 /nfs/dbraw/zinc/14/99/08/1199149908.db2.gz AHZMCPNNWQIYOD-UHFFFAOYSA-N 2 0 349.478 2.162 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309969 1199560355 /nfs/dbraw/zinc/56/03/55/1199560355.db2.gz HIWHEVGOIWDEPE-IAGOWNOFSA-N 2 0 339.524 2.136 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374900 1199636089 /nfs/dbraw/zinc/63/60/89/1199636089.db2.gz AOUBDKDRYQLTIW-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134585047 1199674443 /nfs/dbraw/zinc/67/44/43/1199674443.db2.gz YPXPOFNMNALDOI-JKSUJKDBSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950376 1200227218 /nfs/dbraw/zinc/22/72/18/1200227218.db2.gz MPIMCADMEACMTM-GOEBONIOSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133249336 1200641028 /nfs/dbraw/zinc/64/10/28/1200641028.db2.gz DBLFXUSNVGTIHI-FXAWDEMLSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133404076 1200867718 /nfs/dbraw/zinc/86/77/18/1200867718.db2.gz WQKLHWHZLYUGIC-QAPCUYQASA-N 2 0 347.890 2.089 20 30 EEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001274959462 1205220565 /nfs/dbraw/zinc/22/05/65/1205220565.db2.gz XDTYSUBHRBZNKD-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP N#Cc1cncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c1 ZINC001275026834 1205236182 /nfs/dbraw/zinc/23/61/82/1205236182.db2.gz BWETWGGOFKIAQD-RBUKOAKNSA-N 2 0 336.443 2.401 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ncco4)C[C@H]3CC2)cc1C#N ZINC001276189697 1205826296 /nfs/dbraw/zinc/82/62/96/1205826296.db2.gz JWUFUHBQUBUYSM-CALCHBBNSA-N 2 0 339.443 2.229 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(CC)CC ZINC001095556187 1205872915 /nfs/dbraw/zinc/87/29/15/1205872915.db2.gz CNQLUABOWVACGX-XWSJACJDSA-N 2 0 331.504 2.242 20 30 EEEDRP Cc1ccc(C#N)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000932684481 1207653622 /nfs/dbraw/zinc/65/36/22/1207653622.db2.gz LMDRBXPDJWTOLX-UHFFFAOYSA-N 2 0 330.476 2.212 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111099136 1208169029 /nfs/dbraw/zinc/16/90/29/1208169029.db2.gz RJDXZASGKZHFBY-YRXWBPOGSA-N 2 0 349.519 2.173 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198442 1208356674 /nfs/dbraw/zinc/35/66/74/1208356674.db2.gz YNLNLERPNDYMCK-RWQQGDIJSA-N 2 0 349.519 2.173 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362849 1208547159 /nfs/dbraw/zinc/54/71/59/1208547159.db2.gz ZMLYZEUWQIXOFM-HOCLYGCPSA-N 2 0 333.501 2.416 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000303881098 1213919820 /nfs/dbraw/zinc/91/98/20/1213919820.db2.gz HKFPKVUENBXZOT-CVEARBPZSA-N 2 0 332.492 2.358 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957560949 1215211270 /nfs/dbraw/zinc/21/12/70/1215211270.db2.gz BEOTUMAKSHDQHM-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647947 1215295276 /nfs/dbraw/zinc/29/52/76/1215295276.db2.gz XNRRUCREJCDLLZ-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000304806853 1216107337 /nfs/dbraw/zinc/10/73/37/1216107337.db2.gz SOUUCKCCNRANDH-HIFRSBDPSA-N 2 0 338.883 2.496 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC000960884749 1216960104 /nfs/dbraw/zinc/96/01/04/1216960104.db2.gz SONNSPMRGLIPNB-PBHICJAKSA-N 2 0 348.516 2.383 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154975 1217061406 /nfs/dbraw/zinc/06/14/06/1217061406.db2.gz ILBJIPJUWXNSEU-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188717 1217077502 /nfs/dbraw/zinc/07/75/02/1217077502.db2.gz XOBBHUWEWBFTJD-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961226484 1217097570 /nfs/dbraw/zinc/09/75/70/1217097570.db2.gz HCPBONQIRHPIIM-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961270475 1217120242 /nfs/dbraw/zinc/12/02/42/1217120242.db2.gz IHLBRSKPPHCPFK-ZWKOTPCHSA-N 2 0 331.504 2.219 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961277538 1217124109 /nfs/dbraw/zinc/12/41/09/1217124109.db2.gz SZVHMSDFTJTDHO-ZWKOTPCHSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370821 1217161822 /nfs/dbraw/zinc/16/18/22/1217161822.db2.gz DLDXIPSXMGFZAY-YZGWKJHDSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961372439 1217162542 /nfs/dbraw/zinc/16/25/42/1217162542.db2.gz DLYXHZIOQHTAGM-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963356209 1217549774 /nfs/dbraw/zinc/54/97/74/1217549774.db2.gz CDDVEHMHRSCMRL-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000963426880 1217620914 /nfs/dbraw/zinc/62/09/14/1217620914.db2.gz DDXNKQXDDZODOE-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1CC ZINC001037885189 1219970203 /nfs/dbraw/zinc/97/02/03/1219970203.db2.gz ZBKNQOGQEYMJOS-RDJZCZTQSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001007518405 1222273745 /nfs/dbraw/zinc/27/37/45/1222273745.db2.gz AIRNPJSIGHEXIK-MSOLQXFVSA-N 2 0 345.512 2.235 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016791638 1226882241 /nfs/dbraw/zinc/88/22/41/1226882241.db2.gz ULLQFQUEYHBONJ-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818035 1226901581 /nfs/dbraw/zinc/90/15/81/1226901581.db2.gz ABZFMKRILBBXME-HNAYVOBHSA-N 2 0 337.483 2.356 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001017726147 1227679225 /nfs/dbraw/zinc/67/92/25/1227679225.db2.gz GYQTYNCWZSAICP-CALCHBBNSA-N 2 0 337.427 2.132 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018938284 1228552649 /nfs/dbraw/zinc/55/26/49/1228552649.db2.gz HICFFVCCYWNTAV-WMLDXEAASA-N 2 0 346.500 2.185 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137354 1230350132 /nfs/dbraw/zinc/35/01/32/1230350132.db2.gz GTCPDDWVLBPWLM-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC001039170341 1230395461 /nfs/dbraw/zinc/39/54/61/1230395461.db2.gz NWVZUYBBCRCYGK-CTNGQTDRSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542457 1231283856 /nfs/dbraw/zinc/28/38/56/1231283856.db2.gz IVRLZFNTMUNDIK-FQEVSTJZSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040702278 1231341247 /nfs/dbraw/zinc/34/12/47/1231341247.db2.gz TXDXCSDORMLZMH-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883233 1231395377 /nfs/dbraw/zinc/39/53/77/1231395377.db2.gz LAJMJCWONIWAAT-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001045089104 1233495240 /nfs/dbraw/zinc/49/52/40/1233495240.db2.gz ALWKRZABHULFPQ-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673966 1233899225 /nfs/dbraw/zinc/89/92/25/1233899225.db2.gz ZZNSXLJTWCIVEG-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976838 1234263284 /nfs/dbraw/zinc/26/32/84/1234263284.db2.gz LNYDOADIXADALK-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980364 1234271231 /nfs/dbraw/zinc/27/12/31/1234271231.db2.gz WHVDKMDUJCQFRZ-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047263953 1235775273 /nfs/dbraw/zinc/77/52/73/1235775273.db2.gz LUPYETYSZYJPKI-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001000216769 1240070560 /nfs/dbraw/zinc/07/05/60/1240070560.db2.gz DXSIIYXFQAYQJW-AEFFLSMTSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235885 1240342703 /nfs/dbraw/zinc/34/27/03/1240342703.db2.gz XPINXCKJWJEEOK-OTWHNJEPSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001001618532 1242555986 /nfs/dbraw/zinc/55/59/86/1242555986.db2.gz BUFUJPWGPYICJC-UHFFFAOYSA-N 2 0 339.443 2.285 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913375 1242676276 /nfs/dbraw/zinc/67/62/76/1242676276.db2.gz WJUCFTLVQLQSTG-WOJBJXKFSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)C)CC1 ZINC001096605350 1242778145 /nfs/dbraw/zinc/77/81/45/1242778145.db2.gz KNYGWHRAPNKDPJ-QYZOEREBSA-N 2 0 331.504 2.099 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)CC1 ZINC001050571487 1243863928 /nfs/dbraw/zinc/86/39/28/1243863928.db2.gz OJLVYMQGXLJYKZ-UHFFFAOYSA-N 2 0 336.439 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C/CC)CC1 ZINC001111455173 1244598362 /nfs/dbraw/zinc/59/83/62/1244598362.db2.gz PWEOJYXLRPQNSA-BNLAEDIXSA-N 2 0 343.515 2.409 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786785 1244982978 /nfs/dbraw/zinc/98/29/78/1244982978.db2.gz BSOILSNKLQHERR-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299464 1245498834 /nfs/dbraw/zinc/49/88/34/1245498834.db2.gz LOKHPTZQSUTWMF-JXFKEZNVSA-N 2 0 341.499 2.435 20 30 EEEDRP N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937875 1245515664 /nfs/dbraw/zinc/51/56/64/1245515664.db2.gz OHOLQNJRHUWIFX-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957272 1245555433 /nfs/dbraw/zinc/55/54/33/1245555433.db2.gz DPYYBMMTYPIJJA-SFHVURJKSA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028931 1245713453 /nfs/dbraw/zinc/71/34/53/1245713453.db2.gz NZBQARJDOURGSJ-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042203 1245749950 /nfs/dbraw/zinc/74/99/50/1245749950.db2.gz ADYXBCDPGYSQIM-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395962 1245759161 /nfs/dbraw/zinc/75/91/61/1245759161.db2.gz ZVVFCGXHFHVUGG-QUCCMNQESA-N 2 0 333.520 2.302 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001101547700 1245950869 /nfs/dbraw/zinc/95/08/69/1245950869.db2.gz MYWKMTCMPXAWIA-GOSISDBHSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001101551626 1245956971 /nfs/dbraw/zinc/95/69/71/1245956971.db2.gz TXFCFMPDGIXYSJ-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145086 1247515930 /nfs/dbraw/zinc/51/59/30/1247515930.db2.gz JXZXCABODDDIER-AEFFLSMTSA-N 2 0 339.911 2.394 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185752877 1278786878 /nfs/dbraw/zinc/78/68/78/1278786878.db2.gz VUMWQNVKZAASHZ-DLBZAZTESA-N 2 0 327.472 2.069 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001186980660 1279338158 /nfs/dbraw/zinc/33/81/58/1279338158.db2.gz BUVDQJFFRGUMMT-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001188092770 1279762011 /nfs/dbraw/zinc/76/20/11/1279762011.db2.gz YWMMIVUUFSDBGF-OVKVCFKUSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655902 1280998043 /nfs/dbraw/zinc/99/80/43/1280998043.db2.gz QYLMNARSBOUPHJ-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001193099103 1282315943 /nfs/dbraw/zinc/31/59/43/1282315943.db2.gz JHKVEALDYPVNGK-SFHVURJKSA-N 2 0 339.443 2.380 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194728667 1283275295 /nfs/dbraw/zinc/27/52/95/1283275295.db2.gz FMHYWVJBAVKUBG-QZTJIDSGSA-N 2 0 344.459 2.080 20 30 EEEDRP C=CCCC[N@@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001196481278 1284085148 /nfs/dbraw/zinc/08/51/48/1284085148.db2.gz UWDDQJWWONPPNK-UHFFFAOYSA-N 2 0 339.443 2.381 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617384 1285246812 /nfs/dbraw/zinc/24/68/12/1285246812.db2.gz OMRMXLIMBTZJBB-IRXDYDNUSA-N 2 0 331.460 2.112 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCCO1 ZINC001201849641 1289786505 /nfs/dbraw/zinc/78/65/05/1289786505.db2.gz XPAGRZQVAPTTAG-RBUKOAKNSA-N 2 0 345.487 2.073 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660976 1292283581 /nfs/dbraw/zinc/28/35/81/1292283581.db2.gz KPXLMMWDKXDYPI-MANSERQUSA-N 2 0 349.519 2.173 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001073116265 1296538937 /nfs/dbraw/zinc/53/89/37/1296538937.db2.gz IEKRQTHUZOMKGY-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001073850412 1297601476 /nfs/dbraw/zinc/60/14/76/1297601476.db2.gz BSBSZENYJHGUHF-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H]1CC[NH2+][C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001220643782 1298488575 /nfs/dbraw/zinc/48/85/75/1298488575.db2.gz SRGLXDHFNREAJI-AEFFLSMTSA-N 2 0 340.471 2.049 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108515 1300321662 /nfs/dbraw/zinc/32/16/62/1300321662.db2.gz QCPKJQUIRVAXCI-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507626 1301160814 /nfs/dbraw/zinc/16/08/14/1301160814.db2.gz HYYZOOQLMHVEEP-OPYAIIAOSA-N 2 0 341.499 2.171 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001102596392 1301270615 /nfs/dbraw/zinc/27/06/15/1301270615.db2.gz CTIJFJAFNMSUPL-WSTZPKSXSA-N 2 0 345.531 2.370 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001228105434 1302106239 /nfs/dbraw/zinc/10/62/39/1302106239.db2.gz GUOYRFMRIOBKCM-UHFFFAOYSA-N 2 0 342.443 2.040 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082172 1302186397 /nfs/dbraw/zinc/18/63/97/1302186397.db2.gz GNFXMATWZLNYRE-QRVBRYPASA-N 2 0 333.520 2.062 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085257 1302190277 /nfs/dbraw/zinc/19/02/77/1302190277.db2.gz NVXIBJLLODRIDO-QWFCFKBJSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[N@@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230830126 1303487297 /nfs/dbraw/zinc/48/72/97/1303487297.db2.gz XCKDCSOYPDYSJV-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167606 1304290253 /nfs/dbraw/zinc/29/02/53/1304290253.db2.gz UTHZKCYTXADCBT-CHWSQXEVSA-N 2 0 335.414 2.129 20 30 EEEDRP N#CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940781 1305209732 /nfs/dbraw/zinc/20/97/32/1305209732.db2.gz GFEXFFNETGYTLL-QUCCMNQESA-N 2 0 344.503 2.089 20 30 EEEDRP C=CCOc1cccc(C[N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)c1 ZINC001237430632 1305929288 /nfs/dbraw/zinc/92/92/88/1305929288.db2.gz LHZDBTZHLNLUFI-SFHVURJKSA-N 2 0 344.455 2.226 20 30 EEEDRP N#Cc1cc(-c2ccccc2CN2CC[C@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001240360611 1309311718 /nfs/dbraw/zinc/31/17/18/1309311718.db2.gz JAQLKNZHWOQIRL-FQEVSTJZSA-N 2 0 332.451 2.445 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]CC3([NH3+])CCCC3)CC2)cc1 ZINC001246076437 1310230705 /nfs/dbraw/zinc/23/07/05/1310230705.db2.gz OUYMZKCGYDYEIS-UHFFFAOYSA-N 2 0 326.444 2.024 20 30 EEEDRP N#CC1(c2ccccc2)CCC(N2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246857759 1310451314 /nfs/dbraw/zinc/45/13/14/1310451314.db2.gz CQNCMBBFKJUILQ-NFGIVWRLSA-N 2 0 325.456 2.296 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150023954 1316130063 /nfs/dbraw/zinc/13/00/63/1316130063.db2.gz ZZKZGDKUTOVFAL-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001152330687 1316657625 /nfs/dbraw/zinc/65/76/25/1316657625.db2.gz SFBYJQDEQKBMBB-IBGZPJMESA-N 2 0 327.472 2.189 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238114 1317517610 /nfs/dbraw/zinc/51/76/10/1317517610.db2.gz ZKRYHRXIUZZALP-QAPCUYQASA-N 2 0 325.472 2.049 20 30 EEEDRP C=CCOc1cc(C)nc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)n1 ZINC001158581469 1319320550 /nfs/dbraw/zinc/32/05/50/1319320550.db2.gz UHYRKFAUIGZBIU-UHFFFAOYSA-N 2 0 345.491 2.002 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159328174 1319740662 /nfs/dbraw/zinc/74/06/62/1319740662.db2.gz QDUMBUCFCUGYRE-SFHVURJKSA-N 2 0 328.460 2.029 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001159327200 1319741561 /nfs/dbraw/zinc/74/15/61/1319741561.db2.gz ACVSCLFEWZCLQF-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787225 1320268158 /nfs/dbraw/zinc/26/81/58/1320268158.db2.gz KPEYTTDOVMCMBQ-IBGZPJMESA-N 2 0 329.488 2.023 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)s1 ZINC001163224475 1321071236 /nfs/dbraw/zinc/07/12/36/1321071236.db2.gz VSOFPJQOTQIYDR-KRWDZBQOSA-N 2 0 346.500 2.090 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224314 1321071332 /nfs/dbraw/zinc/07/13/32/1321071332.db2.gz SQIZUDVSXYZGKL-LJQANCHMSA-N 2 0 340.471 2.029 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001166758038 1321782535 /nfs/dbraw/zinc/78/25/35/1321782535.db2.gz ACNKEFDBAZPFHW-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458271 1323144774 /nfs/dbraw/zinc/14/47/74/1323144774.db2.gz GKEYGNOOULOUTL-ZWKOTPCHSA-N 2 0 333.451 2.236 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616536 1323217050 /nfs/dbraw/zinc/21/70/50/1323217050.db2.gz IKJFSRVPBQSWDS-UHFFFAOYSA-N 2 0 325.884 2.196 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471727 1324515473 /nfs/dbraw/zinc/51/54/73/1324515473.db2.gz YIYKCGMZMHRMLC-INIZCTEOSA-N 2 0 342.443 2.040 20 30 EEEDRP CC(C)(O)C#Cc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210267436 1325221889 /nfs/dbraw/zinc/22/18/89/1325221889.db2.gz BZSSGKHVGUQUJD-UHFFFAOYSA-N 2 0 336.439 2.357 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001210750921 1325414599 /nfs/dbraw/zinc/41/45/99/1325414599.db2.gz ONYVGSIJLOYUDI-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001340733619 1337237417 /nfs/dbraw/zinc/23/74/17/1337237417.db2.gz DQFXZVMGNWYHOG-SFHVURJKSA-N 2 0 330.476 2.093 20 30 EEEDRP C=CC1(CC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C[NH2+]C1 ZINC001574879672 1343708000 /nfs/dbraw/zinc/70/80/00/1343708000.db2.gz IMZDMDVDMBWVTM-UHFFFAOYSA-N 2 0 337.851 2.385 20 30 EEEDRP CC(C)(C[NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001575310979 1343772754 /nfs/dbraw/zinc/77/27/54/1343772754.db2.gz QHICDVGEHXMGPY-GOSISDBHSA-N 2 0 340.471 2.360 20 30 EEEDRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001579530169 1344393356 /nfs/dbraw/zinc/39/33/56/1344393356.db2.gz RBQKVKFZCMXXAB-OXQOHEQNSA-N 2 0 337.471 2.385 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112428894 1371440386 /nfs/dbraw/zinc/44/03/86/1371440386.db2.gz PLEAPKXBWDGLCU-BQFCYCMXSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122063762 1371942667 /nfs/dbraw/zinc/94/26/67/1371942667.db2.gz MSLHMXRZCKVIJE-FIXVGMIGSA-N 2 0 331.504 2.454 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058844 1374090713 /nfs/dbraw/zinc/09/07/13/1374090713.db2.gz AUCMYGNKGVREGW-RBUKOAKNSA-N 2 0 342.487 2.177 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001373227483 1376498616 /nfs/dbraw/zinc/49/86/16/1376498616.db2.gz OTLUIJCWPGACKA-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001375275303 1377575133 /nfs/dbraw/zinc/57/51/33/1377575133.db2.gz XIFLGZDKERSURE-KRWDZBQOSA-N 2 0 339.911 2.345 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001377413791 1379220555 /nfs/dbraw/zinc/22/05/55/1379220555.db2.gz RKBQHJMEBUUWQB-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609370 1388697326 /nfs/dbraw/zinc/69/73/26/1388697326.db2.gz HLAZIFITIMBNKW-HUUCEWRRSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403074339 1398338274 /nfs/dbraw/zinc/33/82/74/1398338274.db2.gz DSGFKMLFCTUBDO-UHFFFAOYSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755075544 1407085433 /nfs/dbraw/zinc/08/54/33/1407085433.db2.gz ITAWZEJABZKNLT-YLJYHZDGSA-N 2 0 341.499 2.447 20 30 EEEDRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)ccc21 ZINC001578413378 1403750232 /nfs/dbraw/zinc/75/02/32/1403750232.db2.gz NANJQZAKQIQNHT-SUVXRHJQSA-N 2 0 338.455 2.313 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115108860 1410971593 /nfs/dbraw/zinc/97/15/93/1410971593.db2.gz QLJALGBTQNBDCM-XODKDNOYSA-N 2 0 341.499 2.476 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3CCC3)[C@@H](C)C2)CC1 ZINC001075367589 757449094 /nfs/dbraw/zinc/44/90/94/757449094.db2.gz UZNRQEKWGKCZPI-FXAWDEMLSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458273 760844601 /nfs/dbraw/zinc/84/46/01/760844601.db2.gz AGZNUPGCZKEMAF-MOPGFXCFSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461422 760929783 /nfs/dbraw/zinc/92/97/83/760929783.db2.gz GRQOEDVCSRVCMM-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518565 761272552 /nfs/dbraw/zinc/27/25/52/761272552.db2.gz PNZIGKYAAOHIOU-YJBOKZPZSA-N 2 0 339.911 2.299 20 30 EEEDRP C[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154636846 768886147 /nfs/dbraw/zinc/88/61/47/768886147.db2.gz WDVIACXPNZVXFB-MAUKXSAKSA-N 2 0 330.476 2.346 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105025376 768893886 /nfs/dbraw/zinc/89/38/86/768893886.db2.gz SLBNNIBTPCSASM-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992271 782735128 /nfs/dbraw/zinc/73/51/28/782735128.db2.gz MRDSJMANKMSVKS-QYZOEREBSA-N 2 0 333.520 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC)CC(C)(C)C2)CC1 ZINC001089560631 770356931 /nfs/dbraw/zinc/35/69/31/770356931.db2.gz CLTMANPVXZUFGK-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077146 782869466 /nfs/dbraw/zinc/86/94/66/782869466.db2.gz LJKVQLOYAVYWGL-QYZOEREBSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979997900 773686131 /nfs/dbraw/zinc/68/61/31/773686131.db2.gz GACOWJLIFJPAGM-IPMKNSEASA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656423 773964881 /nfs/dbraw/zinc/96/48/81/773964881.db2.gz ISQHDYPNYKOTEE-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780012 783201397 /nfs/dbraw/zinc/20/13/97/783201397.db2.gz XSZFFNYWYVWHCS-FUHIMQAGSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000939813323 777430908 /nfs/dbraw/zinc/43/09/08/777430908.db2.gz ZICOVFHQFOTWAY-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526975 777587620 /nfs/dbraw/zinc/58/76/20/777587620.db2.gz BZNSKQNKNJNQSI-UONOGXRCSA-N 2 0 344.297 2.008 20 30 EEEDRP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089846208 777801770 /nfs/dbraw/zinc/80/17/70/777801770.db2.gz KWWHPYYLVUHXMJ-MANSERQUSA-N 2 0 343.515 2.053 20 30 EEEDRP C=CCc1ccc(NC(=O)C(C)(C)C)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167877433 778937735 /nfs/dbraw/zinc/93/77/35/778937735.db2.gz CXACBHVQBPQFTJ-UHFFFAOYSA-N 2 0 346.479 2.470 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000997685516 790721529 /nfs/dbraw/zinc/72/15/29/790721529.db2.gz BGGGGWBWBYOODL-KRWDZBQOSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1 ZINC000982343743 779812287 /nfs/dbraw/zinc/81/22/87/779812287.db2.gz JEBILVYAJAKHJC-BGYRXZFFSA-N 2 0 336.439 2.142 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087443368 780289480 /nfs/dbraw/zinc/28/94/80/780289480.db2.gz JCJBAOWCOGNZOX-IPMKNSEASA-N 2 0 327.472 2.098 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164809 781823947 /nfs/dbraw/zinc/82/39/47/781823947.db2.gz SDKHQZAAJUNIHG-KFWWJZLASA-N 2 0 347.425 2.109 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000945183872 783575285 /nfs/dbraw/zinc/57/52/85/783575285.db2.gz UGTFCAWONNKVQW-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135314787 783597555 /nfs/dbraw/zinc/59/75/55/783597555.db2.gz HGQSJPLODQSHNF-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001135370753 783659208 /nfs/dbraw/zinc/65/92/08/783659208.db2.gz AIOCBIQZXILYEQ-JKSUJKDBSA-N 2 0 333.451 2.002 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001135391358 783687708 /nfs/dbraw/zinc/68/77/08/783687708.db2.gz RWVHGMJPRCPIDL-CVEARBPZSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820090 783909756 /nfs/dbraw/zinc/90/97/56/783909756.db2.gz WRGJHVPMYIUGFM-HOCLYGCPSA-N 2 0 327.900 2.345 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035538349 784641051 /nfs/dbraw/zinc/64/10/51/784641051.db2.gz ZQBRILDRHIABDN-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938901 784830489 /nfs/dbraw/zinc/83/04/89/784830489.db2.gz QEFAUHLSNNBOIH-JKSUJKDBSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996102137 786013925 /nfs/dbraw/zinc/01/39/25/786013925.db2.gz TYIOJBLNRVSNLF-SFHVURJKSA-N 2 0 329.488 2.417 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560940 805671274 /nfs/dbraw/zinc/67/12/74/805671274.db2.gz YLAZTRWPXHQKKF-QYZOEREBSA-N 2 0 331.504 2.386 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC000996607520 786762353 /nfs/dbraw/zinc/76/23/53/786762353.db2.gz PCEFDLCURXBXLP-CXAGYDPISA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552158 787607431 /nfs/dbraw/zinc/60/74/31/787607431.db2.gz HJKZCFXCOJTGAO-YLJYHZDGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859366 788822418 /nfs/dbraw/zinc/82/24/18/788822418.db2.gz RLYKUGNCBUWPHO-AKHDSKFASA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715260 789441236 /nfs/dbraw/zinc/44/12/36/789441236.db2.gz BNMBTRYJSJZXIX-QGZVFWFLSA-N 2 0 339.524 2.184 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997301862 789549511 /nfs/dbraw/zinc/54/95/11/789549511.db2.gz UAGZHBUXAQUEMA-QGZVFWFLSA-N 2 0 341.499 2.254 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/C(=O)c1ccccc1 ZINC001144707920 790061280 /nfs/dbraw/zinc/06/12/80/790061280.db2.gz MTBPEMWUNOUAOB-OUKQBFOZSA-N 2 0 345.487 2.158 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001146356179 791223307 /nfs/dbraw/zinc/22/33/07/791223307.db2.gz NQXBUZJJGQYYOK-UHFFFAOYSA-N 2 0 345.462 2.003 20 30 EEEDRP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998103144 791970815 /nfs/dbraw/zinc/97/08/15/791970815.db2.gz PHXJRNZYMMRJJD-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992186 792111480 /nfs/dbraw/zinc/11/14/80/792111480.db2.gz JTPXGNLJAZICFN-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171956 792126486 /nfs/dbraw/zinc/12/64/86/792126486.db2.gz SKNVSFLNAKCZDK-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981754 792357268 /nfs/dbraw/zinc/35/72/68/792357268.db2.gz FLIDNRHRXSRJAS-MJGOQNOKSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC000998265371 792385258 /nfs/dbraw/zinc/38/52/58/792385258.db2.gz HJWRHNZMBZPXFE-UONOGXRCSA-N 2 0 344.381 2.287 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731743 792547210 /nfs/dbraw/zinc/54/72/10/792547210.db2.gz VGLIGUFGZJKXQE-NSHGMRRFSA-N 2 0 333.520 2.321 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923070 792992409 /nfs/dbraw/zinc/99/24/09/792992409.db2.gz HSWVPVBNNCOXIR-SJLPKXTDSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@]2(C)C1 ZINC001092313100 793787592 /nfs/dbraw/zinc/78/75/92/793787592.db2.gz UXEHVAUOQXRDMK-UZLBHIALSA-N 2 0 343.471 2.149 20 30 EEEDRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CC1 ZINC000999374978 794352680 /nfs/dbraw/zinc/35/26/80/794352680.db2.gz SQMKZSUJHAPJSZ-YOEHRIQHSA-N 2 0 346.500 2.041 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092967796 794505970 /nfs/dbraw/zinc/50/59/70/794505970.db2.gz GTTQJEHIYZDXHK-VQIMIIECSA-N 2 0 329.488 2.274 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968734 794507054 /nfs/dbraw/zinc/50/70/54/794507054.db2.gz YQGMMWKHTMQTMC-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001093366479 795094587 /nfs/dbraw/zinc/09/45/87/795094587.db2.gz FZYLWFXOKSNJFE-LJQANCHMSA-N 2 0 340.471 2.069 20 30 EEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171772799 796728434 /nfs/dbraw/zinc/72/84/34/796728434.db2.gz VWWWFZKNDVHCQC-INIZCTEOSA-N 2 0 339.443 2.169 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172638295 797041848 /nfs/dbraw/zinc/04/18/48/797041848.db2.gz WIYYFDMPOBMANH-OALUTQOASA-N 2 0 349.519 2.010 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H]1C ZINC000993826444 797056985 /nfs/dbraw/zinc/05/69/85/797056985.db2.gz QCQAFYWIWKHAET-GOEBONIOSA-N 2 0 332.448 2.039 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001095027215 797250136 /nfs/dbraw/zinc/25/01/36/797250136.db2.gz KQLMRGOJVSWHCU-ULQDDVLXSA-N 2 0 339.911 2.440 20 30 EEEDRP C=CCC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000786435417 806776067 /nfs/dbraw/zinc/77/60/67/806776067.db2.gz FVHAZIGSUKVJQK-UHFFFAOYSA-N 2 0 330.476 2.275 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003624067 799904209 /nfs/dbraw/zinc/90/42/09/799904209.db2.gz KPAYKUXGGMUSKP-MRXNPFEDSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001179792257 800103387 /nfs/dbraw/zinc/10/33/87/800103387.db2.gz BHMXVHUSZYAGQF-UHFFFAOYSA-N 2 0 349.523 2.291 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001181648677 800860604 /nfs/dbraw/zinc/86/06/04/800860604.db2.gz YXSNRPGZZYVNJQ-RDTXWAMCSA-N 2 0 333.501 2.131 20 30 EEEDRP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108216241 801486519 /nfs/dbraw/zinc/48/65/19/801486519.db2.gz VDSXDYLAWNCIOV-IBGZPJMESA-N 2 0 339.524 2.138 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004443570 802055692 /nfs/dbraw/zinc/05/56/92/802055692.db2.gz SEAAQEZLJNCJPS-BHIYHBOVSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185052194 802303619 /nfs/dbraw/zinc/30/36/19/802303619.db2.gz MUANSCJEQWOZFU-HOTGVXAUSA-N 2 0 331.460 2.052 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086438137 802965399 /nfs/dbraw/zinc/96/53/99/802965399.db2.gz DMELOOHXDXHGBA-SAABIXHNSA-N 2 0 329.488 2.465 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797687 804053043 /nfs/dbraw/zinc/05/30/43/804053043.db2.gz IYRWSKICJGCWSR-KGLIPLIRSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716478 804385588 /nfs/dbraw/zinc/38/55/88/804385588.db2.gz SZOPTZIIKATVOG-JZXOWHBKSA-N 2 0 336.439 2.249 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623492 810910224 /nfs/dbraw/zinc/91/02/24/810910224.db2.gz HLVTWLGEXLFKCT-RBUKOAKNSA-N 2 0 327.472 2.243 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001438442964 1090945153 /nfs/dbraw/zinc/94/51/53/1090945153.db2.gz FLPLYRBXBAAHBO-SHTZXODSSA-N 2 0 348.516 2.479 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001438937608 1091621668 /nfs/dbraw/zinc/62/16/68/1091621668.db2.gz MFEPCUWLKSZBBK-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001438958470 1091650789 /nfs/dbraw/zinc/65/07/89/1091650789.db2.gz GMJRSQXJOWPVAV-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001440121035 1093182445 /nfs/dbraw/zinc/18/24/45/1093182445.db2.gz NBVRARMCPVYALB-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001441659189 1095626378 /nfs/dbraw/zinc/62/63/78/1095626378.db2.gz RMEMAKWZHBRCPD-HNNXBMFYSA-N 2 0 348.516 2.432 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001443841079 1098354770 /nfs/dbraw/zinc/35/47/70/1098354770.db2.gz PHBRQHSGCKIVQF-LJQANCHMSA-N 2 0 342.487 2.323 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310476 1098867518 /nfs/dbraw/zinc/86/75/18/1098867518.db2.gz PXTJRQPWPJPYES-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444690407 1099541143 /nfs/dbraw/zinc/54/11/43/1099541143.db2.gz HYEPCQXQHFXIRW-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001445118964 1100363896 /nfs/dbraw/zinc/36/38/96/1100363896.db2.gz UGRWBSDZFRDFQB-CVEARBPZSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001499526880 1112342621 /nfs/dbraw/zinc/34/26/21/1112342621.db2.gz AXWFGUUDZJFEHZ-IBGZPJMESA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191280208 152246412 /nfs/dbraw/zinc/24/64/12/152246412.db2.gz RYXULQKGNLPZKH-HOTGVXAUSA-N 2 0 330.476 2.218 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000341297128 465098113 /nfs/dbraw/zinc/09/81/13/465098113.db2.gz LXSNVLYKBMTUCX-NZSAHSFTSA-N 2 0 348.535 2.467 20 30 EEEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000358429971 465116893 /nfs/dbraw/zinc/11/68/93/465116893.db2.gz RPOHUUHVACILRP-KRWDZBQOSA-N 2 0 336.524 2.438 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000296936131 465240162 /nfs/dbraw/zinc/24/01/62/465240162.db2.gz PGXJJAOMRGEPCB-LJQANCHMSA-N 2 0 342.487 2.078 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)C(C)C ZINC000159651158 463297833 /nfs/dbraw/zinc/29/78/33/463297833.db2.gz YJNCQZDCVBDFKW-SFHVURJKSA-N 2 0 336.524 2.422 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000139058229 463317228 /nfs/dbraw/zinc/31/72/28/463317228.db2.gz NFXPBTNREBLDSS-WMZOPIPTSA-N 2 0 334.508 2.153 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000178090051 463843867 /nfs/dbraw/zinc/84/38/67/463843867.db2.gz ZNAFJLJURBBXIP-UHFFFAOYSA-N 2 0 334.508 2.297 20 30 EEEDRP COc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N ZINC000289724878 464092656 /nfs/dbraw/zinc/09/26/56/464092656.db2.gz HLGNORKQRIAWSQ-UHFFFAOYSA-N 2 0 330.476 2.025 20 30 EEEDRP COc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N ZINC000289797229 464095103 /nfs/dbraw/zinc/09/51/03/464095103.db2.gz MMJIXZGBCZWSFJ-UHFFFAOYSA-N 2 0 332.492 2.272 20 30 EEEDRP CC[NH+](CC)CCOc1ccc(CNC(NC2CC2)=[NH+]C)cc1OC ZINC000264042311 464277525 /nfs/dbraw/zinc/27/75/25/464277525.db2.gz JJNWYSNWVWILSF-UHFFFAOYSA-N 2 0 348.491 2.243 20 30 EEEDRP C=C(C)CNC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000264066297 464278219 /nfs/dbraw/zinc/27/82/19/464278219.db2.gz BGPCKHQGYAGIQJ-UHFFFAOYSA-N 2 0 330.476 2.388 20 30 EEEDRP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000264064779 464278472 /nfs/dbraw/zinc/27/84/72/464278472.db2.gz ARXXVVAPQMKXOB-INIZCTEOSA-N 2 0 332.492 2.358 20 30 EEEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C1 ZINC000264063610 464278686 /nfs/dbraw/zinc/27/86/86/464278686.db2.gz DNHALMCAXXUPSD-INIZCTEOSA-N 2 0 330.476 2.065 20 30 EEEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000264071785 464280156 /nfs/dbraw/zinc/28/01/56/464280156.db2.gz DLCKQKKAAFWMLA-INIZCTEOSA-N 2 0 345.535 2.422 20 30 EEEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000176989803 464900455 /nfs/dbraw/zinc/90/04/55/464900455.db2.gz IQTBZFRPHFAFID-UHFFFAOYSA-N 2 0 344.503 2.485 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358785200 465320639 /nfs/dbraw/zinc/32/06/39/465320639.db2.gz ZJEMZLIXZPSXTA-IBGZPJMESA-N 2 0 344.503 2.109 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000361431452 465991273 /nfs/dbraw/zinc/99/12/73/465991273.db2.gz DSLYWVPFBGVTRW-IRXDYDNUSA-N 2 0 334.508 2.285 20 30 EEEDRP Cc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccc1C#N ZINC000443977245 467581434 /nfs/dbraw/zinc/58/14/34/467581434.db2.gz CMPRWJIFYZVYQP-UHFFFAOYSA-N 2 0 335.455 2.303 20 30 EEEDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511857 468990558 /nfs/dbraw/zinc/99/05/58/468990558.db2.gz QKPWZMDGMDITLL-LJQANCHMSA-N 2 0 345.487 2.299 20 30 EEEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2cccc(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000602507147 469342608 /nfs/dbraw/zinc/34/26/08/469342608.db2.gz BTEWRIAGXOSQRO-OAQYLSRUSA-N 2 0 349.482 2.422 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614402391 469930865 /nfs/dbraw/zinc/93/08/65/469930865.db2.gz XCMMNQVKIAFXTI-FQEVSTJZSA-N 2 0 326.488 2.467 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000614403310 469932144 /nfs/dbraw/zinc/93/21/44/469932144.db2.gz QZSWNLFAYCWYIS-PXNSSMCTSA-N 2 0 326.488 2.325 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625323395 470118901 /nfs/dbraw/zinc/11/89/01/470118901.db2.gz WVESOBWNBZJFAY-UXHICEINSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000644669299 485499014 /nfs/dbraw/zinc/49/90/14/485499014.db2.gz VPNNRALZGZOKAK-IEBWSBKVSA-N 2 0 332.488 2.476 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923132 526929547 /nfs/dbraw/zinc/92/95/47/526929547.db2.gz RWERIFDWZUNICJ-FXAWDEMLSA-N 2 0 339.483 2.111 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000729684182 576672189 /nfs/dbraw/zinc/67/21/89/576672189.db2.gz KQOJWZCXKLHKJF-KRWDZBQOSA-N 2 0 330.476 2.095 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039249541 676266290 /nfs/dbraw/zinc/26/62/90/676266290.db2.gz BIVJHEWPXXCLTF-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262348472 679191152 /nfs/dbraw/zinc/19/11/52/679191152.db2.gz DRYFOYMUMHCQEA-XDNAFOTISA-N 2 0 348.535 2.183 20 30 EEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001024666709 681327674 /nfs/dbraw/zinc/32/76/74/681327674.db2.gz SMZYNWXNMQECLA-ZCNNSNEGSA-N 2 0 341.499 2.489 20 30 EEEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982834441 681356952 /nfs/dbraw/zinc/35/69/52/681356952.db2.gz ZSCXTGZFOZIMBX-SESVDKBCSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982616018 681801388 /nfs/dbraw/zinc/80/13/88/681801388.db2.gz AJRKJAVQJLEKBC-BGYRXZFFSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755574 682109549 /nfs/dbraw/zinc/10/95/49/682109549.db2.gz QISJQUDCSQYPIG-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245060 682323801 /nfs/dbraw/zinc/32/38/01/682323801.db2.gz ZJIGHCILSVGNON-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974804890 685555261 /nfs/dbraw/zinc/55/52/61/685555261.db2.gz XLAHPBCUHJNEFF-QGZVFWFLSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001028906898 682460947 /nfs/dbraw/zinc/46/09/47/682460947.db2.gz YFQZRKHFMLIAOW-INIZCTEOSA-N 2 0 339.443 2.285 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591386 683061390 /nfs/dbraw/zinc/06/13/90/683061390.db2.gz BCAUKNSAUALRNC-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CC3CCC3)CC2)CC1 ZINC001029173065 683310178 /nfs/dbraw/zinc/31/01/78/683310178.db2.gz KUNPELXWKNGJGN-KRWDZBQOSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC000992925693 683656425 /nfs/dbraw/zinc/65/64/25/683656425.db2.gz LVSMMWVIYVVQTN-VAMGGRTRSA-N 2 0 339.483 2.212 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]12 ZINC001026331593 684293964 /nfs/dbraw/zinc/29/39/64/684293964.db2.gz WYNBRDSWRQLKSH-OWCLPIDISA-N 2 0 339.911 2.440 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]12 ZINC001026377172 684490557 /nfs/dbraw/zinc/49/05/57/684490557.db2.gz MLCRPKMNWAHKHZ-CEXWTWQISA-N 2 0 327.472 2.374 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC001026605186 684782071 /nfs/dbraw/zinc/78/20/71/684782071.db2.gz GKZJMTQWZMBSRX-VIQWUECVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505482 684798921 /nfs/dbraw/zinc/79/89/21/684798921.db2.gz AFXDNQNDJWAKGJ-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP C[NH+]=C(NCc1cccc(Cl)c1)NC[C@@]1(N(C)C)CCSC1 ZINC000262423164 685995582 /nfs/dbraw/zinc/99/55/82/685995582.db2.gz GIUKSVUCOUECOF-INIZCTEOSA-N 2 0 340.924 2.442 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001029766622 687034609 /nfs/dbraw/zinc/03/46/09/687034609.db2.gz FHXJQWZPJAMJSA-RBUKOAKNSA-N 2 0 342.487 2.179 20 30 EEEDRP c1coc(CCNC(=[NH+]C2CC2)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000262641106 687730078 /nfs/dbraw/zinc/73/00/78/687730078.db2.gz HILBRORCLWAIDH-KRWDZBQOSA-N 2 0 330.476 2.490 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC000989829583 692356264 /nfs/dbraw/zinc/35/62/64/692356264.db2.gz UJSRNRMMFSMMNW-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977449416 692634348 /nfs/dbraw/zinc/63/43/48/692634348.db2.gz JPRLCRZLIWJEMI-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001027578575 693203065 /nfs/dbraw/zinc/20/30/65/693203065.db2.gz NWHHXCLKWZSBRC-OALUTQOASA-N 2 0 342.487 2.321 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338819 1185436093 /nfs/dbraw/zinc/43/60/93/1185436093.db2.gz KMFIRHLNVCHQPU-CQSZACIVSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC001088430730 1186867841 /nfs/dbraw/zinc/86/78/41/1186867841.db2.gz WYRCYKFJSSMUIN-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539934 1188160765 /nfs/dbraw/zinc/16/07/65/1188160765.db2.gz SYUPPQSTSWAHJL-RTBURBONSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2ccnc2)CCC1 ZINC001105552039 1188167807 /nfs/dbraw/zinc/16/78/07/1188167807.db2.gz UWRSOHUGOZCSHG-QGZVFWFLSA-N 2 0 328.460 2.047 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105565837 1188185729 /nfs/dbraw/zinc/18/57/29/1188185729.db2.gz CDWUBUXMZRQHEN-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105572514 1188186969 /nfs/dbraw/zinc/18/69/69/1188186969.db2.gz TYGXTDBJVUQLSR-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105571835 1188192780 /nfs/dbraw/zinc/19/27/80/1188192780.db2.gz ABZTWELFHOLMJG-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C2(C[NH2+]CC)CCC2)CC1 ZINC001105579486 1188195295 /nfs/dbraw/zinc/19/52/95/1188195295.db2.gz PLMFFBZOAZQQCT-IBGZPJMESA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335472 1188298935 /nfs/dbraw/zinc/29/89/35/1188298935.db2.gz KCVDPTRDALTTFU-GOSISDBHSA-N 2 0 333.520 2.396 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484356220 1191316382 /nfs/dbraw/zinc/31/63/82/1191316382.db2.gz UXFBWDFTLKMXAK-CVEARBPZSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415739 1194536451 /nfs/dbraw/zinc/53/64/51/1194536451.db2.gz KGIKNIRFRBCVJV-CRAIPNDOSA-N 2 0 325.472 2.308 20 30 EEEDRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033777254 1195261299 /nfs/dbraw/zinc/26/12/99/1195261299.db2.gz UDHSSRRMXPGMJZ-VQTJNVASSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648120 1196417625 /nfs/dbraw/zinc/41/76/25/1196417625.db2.gz BILHZHVRPJRTBE-SFHVURJKSA-N 2 0 331.504 2.293 20 30 EEEDRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001410423093 1197855244 /nfs/dbraw/zinc/85/52/44/1197855244.db2.gz VXBMYEIJXGIMBL-AWEZNQCLSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001411217645 1198927368 /nfs/dbraw/zinc/92/73/68/1198927368.db2.gz QHLXIBWINSKKGO-CYBMUJFWSA-N 2 0 348.329 2.357 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134585046 1199674346 /nfs/dbraw/zinc/67/43/46/1199674346.db2.gz YPXPOFNMNALDOI-HZPDHXFCSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132824897 1200073073 /nfs/dbraw/zinc/07/30/73/1200073073.db2.gz WRMPKCUTTKPLBI-ZWKOTPCHSA-N 2 0 333.520 2.348 20 30 EEEDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001275589427 1205432892 /nfs/dbraw/zinc/43/28/92/1205432892.db2.gz SQDBEHFZZLNYJP-SFHVURJKSA-N 2 0 332.517 2.469 20 30 EEEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001275828611 1205553869 /nfs/dbraw/zinc/55/38/69/1205553869.db2.gz CKXLNLYPKQMDNA-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001276091359 1205775966 /nfs/dbraw/zinc/77/59/66/1205775966.db2.gz NZRVSUKGCLYJDR-KDURUIRLSA-N 2 0 329.488 2.462 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947537141 1208611179 /nfs/dbraw/zinc/61/11/79/1208611179.db2.gz LMZQQXVGOZNHOT-JKSUJKDBSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070700 1208854387 /nfs/dbraw/zinc/85/43/87/1208854387.db2.gz RHDXROGRYHQFOZ-PKOBYXMFSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948417046 1209125945 /nfs/dbraw/zinc/12/59/45/1209125945.db2.gz VTZTYBGEGYLKCQ-INIZCTEOSA-N 2 0 333.501 2.369 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948436609 1209137083 /nfs/dbraw/zinc/13/70/83/1209137083.db2.gz XSQRFFBXKOQDNR-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000948850385 1209415814 /nfs/dbraw/zinc/41/58/14/1209415814.db2.gz IVZFTDKEQHSBDI-LJQANCHMSA-N 2 0 340.471 2.077 20 30 EEEDRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)CC1 ZINC000303877845 1213917181 /nfs/dbraw/zinc/91/71/81/1213917181.db2.gz FRZKCXZQECJQJJ-UHFFFAOYSA-N 2 0 343.519 2.125 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633867 1215278618 /nfs/dbraw/zinc/27/86/18/1215278618.db2.gz RUECWRLZIKTJAW-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304720123 1216100874 /nfs/dbraw/zinc/10/08/74/1216100874.db2.gz OHTFHYJIFPRIOB-MRXNPFEDSA-N 2 0 325.545 2.132 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000960280850 1216469449 /nfs/dbraw/zinc/46/94/49/1216469449.db2.gz KQHGPFHNVPYQOI-QZTJIDSGSA-N 2 0 325.456 2.173 20 30 EEEDRP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000960485250 1216619730 /nfs/dbraw/zinc/61/97/30/1216619730.db2.gz CJCLVQULKMGORE-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961154976 1217061423 /nfs/dbraw/zinc/06/14/23/1217061423.db2.gz ILBJIPJUWXNSEU-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262851 1217116682 /nfs/dbraw/zinc/11/66/82/1217116682.db2.gz QNXBATGIYYKYEF-DLBZAZTESA-N 2 0 330.476 2.099 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001037872897 1219733293 /nfs/dbraw/zinc/73/32/93/1219733293.db2.gz NLCRRRPXWDDPTG-SJLPKXTDSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1CC ZINC001037885681 1219973117 /nfs/dbraw/zinc/97/31/17/1219973117.db2.gz JJLVYZUOXCJIRP-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968681955 1221487802 /nfs/dbraw/zinc/48/78/02/1221487802.db2.gz NMWGGQOFNKPXJL-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007906226 1222495615 /nfs/dbraw/zinc/49/56/15/1222495615.db2.gz GRAAKIYEZKYJGZ-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001016332820 1226356010 /nfs/dbraw/zinc/35/60/10/1226356010.db2.gz SUYMXOAVMHVHDF-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001016336091 1226359630 /nfs/dbraw/zinc/35/96/30/1226359630.db2.gz IBUOFZJBERHQDP-FQEVSTJZSA-N 2 0 343.515 2.413 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664406 1226749712 /nfs/dbraw/zinc/74/97/12/1226749712.db2.gz XBXOETSWBGAXTG-ZWKOTPCHSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555192 1227516552 /nfs/dbraw/zinc/51/65/52/1227516552.db2.gz KWJIVFOMGOJCFW-RLLQIKCJSA-N 2 0 343.515 2.340 20 30 EEEDRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054738393 1248967591 /nfs/dbraw/zinc/96/75/91/1248967591.db2.gz PLSGIQPBQPRTHZ-SUMWQHHRSA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039133390 1230343726 /nfs/dbraw/zinc/34/37/26/1230343726.db2.gz GVFIXZHPFVIHQC-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039138919 1230353303 /nfs/dbraw/zinc/35/33/03/1230353303.db2.gz YRXSUMACSDDFIH-UXHICEINSA-N 2 0 345.531 2.158 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143990 1230362670 /nfs/dbraw/zinc/36/26/70/1230362670.db2.gz FQWBJDNNNRAPDN-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168016 1230391859 /nfs/dbraw/zinc/39/18/59/1230391859.db2.gz JVTJOVJKEURYLK-FQEVSTJZSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039249563 1230486045 /nfs/dbraw/zinc/48/60/45/1230486045.db2.gz CADDMEAYNSHBBB-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474309 1230638010 /nfs/dbraw/zinc/63/80/10/1230638010.db2.gz AWAIYXRIJZFHDC-QYZOEREBSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC2CCC2)CC1 ZINC001040014239 1230964190 /nfs/dbraw/zinc/96/41/90/1230964190.db2.gz HXXWAVXPHGJSRW-BGYRXZFFSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040242690 1231127375 /nfs/dbraw/zinc/12/73/75/1231127375.db2.gz ZSIFGGNUFUGJPN-CTNGQTDRSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259731 1231137434 /nfs/dbraw/zinc/13/74/34/1231137434.db2.gz ZHGGUCZEAFMFEW-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001040947423 1231407855 /nfs/dbraw/zinc/40/78/55/1231407855.db2.gz YLTPFAWLHROLRC-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041288484 1231496695 /nfs/dbraw/zinc/49/66/95/1231496695.db2.gz XGABIMVQOCZTRM-RXVVDRJESA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782584 1231691928 /nfs/dbraw/zinc/69/19/28/1231691928.db2.gz AQFGJVQUQRTPPC-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845576 1231728862 /nfs/dbraw/zinc/72/88/62/1231728862.db2.gz ISBFYTRPEJNYSO-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001044336066 1232879363 /nfs/dbraw/zinc/87/93/63/1232879363.db2.gz WHBQWCYVXXNIRX-UHFFFAOYSA-N 2 0 343.515 2.365 20 30 EEEDRP C#CCC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045590358 1233838750 /nfs/dbraw/zinc/83/87/50/1233838750.db2.gz YDBMJRJVBHQYRH-UHFFFAOYSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045939446 1234194801 /nfs/dbraw/zinc/19/48/01/1234194801.db2.gz BGXGDCVIEMDNJX-PZJWPPBQSA-N 2 0 343.515 2.056 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000900418945 1234336483 /nfs/dbraw/zinc/33/64/83/1234336483.db2.gz RHYIBHGBZHNMDY-SFHVURJKSA-N 2 0 342.487 2.321 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001054929079 1249400117 /nfs/dbraw/zinc/40/01/17/1249400117.db2.gz DLRMCVCRVMCULE-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242870 1235731819 /nfs/dbraw/zinc/73/18/19/1235731819.db2.gz HQJRZNUDIHRQOE-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047266233 1235779695 /nfs/dbraw/zinc/77/96/95/1235779695.db2.gz UHLNUSSPTZKGOR-RBUKOAKNSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC3CCCC3)C2)CC1 ZINC001048069334 1237057547 /nfs/dbraw/zinc/05/75/47/1237057547.db2.gz PIPMAWUCNGAZAG-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048590714 1238043667 /nfs/dbraw/zinc/04/36/67/1238043667.db2.gz WEYPBATYFODYAM-RDGPPVDQSA-N 2 0 331.504 2.243 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]2C1 ZINC001049057087 1239881115 /nfs/dbraw/zinc/88/11/15/1239881115.db2.gz LEELZXHMIKBEPR-BGYRXZFFSA-N 2 0 341.499 2.371 20 30 EEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001000151288 1240002021 /nfs/dbraw/zinc/00/20/21/1240002021.db2.gz SPDDWPXBKYREGL-GOSISDBHSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232761 1240333003 /nfs/dbraw/zinc/33/30/03/1240333003.db2.gz YAGPGNDCBJGDQE-YHUYYLMFSA-N 2 0 325.884 2.002 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067020 1242765417 /nfs/dbraw/zinc/76/54/17/1242765417.db2.gz KNPQTFFAQWHZLW-GBESFXJTSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050728770 1244228942 /nfs/dbraw/zinc/22/89/42/1244228942.db2.gz VGCKUKWPIFNMQL-HNNXBMFYSA-N 2 0 325.884 2.005 20 30 EEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731277 1244859525 /nfs/dbraw/zinc/85/95/25/1244859525.db2.gz NSDXJTALYUCLLV-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051307132 1245512815 /nfs/dbraw/zinc/51/28/15/1245512815.db2.gz MUJRBWGUWBPMNQ-SFHVURJKSA-N 2 0 327.472 2.189 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958009 1245554996 /nfs/dbraw/zinc/55/49/96/1245554996.db2.gz KSZUKPJZZJPXRL-GOSISDBHSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046585 1245762940 /nfs/dbraw/zinc/76/29/40/1245762940.db2.gz LFHKZIZTWQBXOT-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001101561342 1245963961 /nfs/dbraw/zinc/96/39/61/1245963961.db2.gz DDSAYRKNIRWARI-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)O2 ZINC001053621600 1246545031 /nfs/dbraw/zinc/54/50/31/1246545031.db2.gz IKTMHWFKMBKLRI-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380964 1247161010 /nfs/dbraw/zinc/16/10/10/1247161010.db2.gz GUYVRUSWUCPUDE-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134566 1247487409 /nfs/dbraw/zinc/48/74/09/1247487409.db2.gz HXGVAZGSRHJANI-NUJGCVRESA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186432 1247654877 /nfs/dbraw/zinc/65/48/77/1247654877.db2.gz SDNMTNFIIWRCDS-FQEVSTJZSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229520 1247787960 /nfs/dbraw/zinc/78/79/60/1247787960.db2.gz XPIPAGZNNMCFAI-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270543 1247957864 /nfs/dbraw/zinc/95/78/64/1247957864.db2.gz RPAVQRYPMFDWTP-LJQANCHMSA-N 2 0 325.456 2.126 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137405725 1247996185 /nfs/dbraw/zinc/99/61/85/1247996185.db2.gz NENNVNLUUURXJS-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071828790 1254689297 /nfs/dbraw/zinc/68/92/97/1254689297.db2.gz UHZXBSWSFYFINO-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101026584 1259580716 /nfs/dbraw/zinc/58/07/16/1259580716.db2.gz OYPVXNTUOFRIPB-UHFFFAOYSA-N 2 0 345.487 2.049 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298725 1278315226 /nfs/dbraw/zinc/31/52/26/1278315226.db2.gz OQNBFQWKKNNBMZ-HZPDHXFCSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185778285 1278777739 /nfs/dbraw/zinc/77/77/39/1278777739.db2.gz HXRBHKXGLWMIQE-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001185780005 1278779391 /nfs/dbraw/zinc/77/93/91/1278779391.db2.gz ROZKOJQVYPXDNR-MOPGFXCFSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644971 1280992473 /nfs/dbraw/zinc/99/24/73/1280992473.db2.gz ONNFOLHITMBHOE-RTBURBONSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001192960060 1282246405 /nfs/dbraw/zinc/24/64/05/1282246405.db2.gz MPSTWVCTIKXKPO-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCC(C)C)CC2)CC1 ZINC001198236784 1285048288 /nfs/dbraw/zinc/04/82/88/1285048288.db2.gz YSGCYQSLMOKKFU-UHFFFAOYSA-N 2 0 333.520 2.302 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198959405 1285443280 /nfs/dbraw/zinc/44/32/80/1285443280.db2.gz AQBFMHLITOGRGL-WMZOPIPTSA-N 2 0 345.487 2.360 20 30 EEEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201931543 1289803550 /nfs/dbraw/zinc/80/35/50/1289803550.db2.gz LZTAMGPLHKXHCI-SFHVURJKSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746482 1294111108 /nfs/dbraw/zinc/11/11/08/1294111108.db2.gz PDFZOVAUBLPGQN-KURKYZTESA-N 2 0 328.460 2.206 20 30 EEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921742 1296223010 /nfs/dbraw/zinc/22/30/10/1296223010.db2.gz JKVRCTLLJYIUOI-RCCFBDPRSA-N 2 0 337.508 2.033 20 30 EEEDRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001215476701 1296916698 /nfs/dbraw/zinc/91/66/98/1296916698.db2.gz QYOXZXRVOKESIO-MISYRCLQSA-N 2 0 341.499 2.061 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230575513 1303289092 /nfs/dbraw/zinc/28/90/92/1303289092.db2.gz OXEDJSOEHYBUPC-GOSISDBHSA-N 2 0 333.520 2.443 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591745 1303299774 /nfs/dbraw/zinc/29/97/74/1303299774.db2.gz IJGDPWYWGHJQHL-INIZCTEOSA-N 2 0 327.900 2.394 20 30 EEEDRP C=CCCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230918023 1303545334 /nfs/dbraw/zinc/54/53/34/1303545334.db2.gz GAEDDWJTNUWPFV-LJQANCHMSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001112424045 1304541319 /nfs/dbraw/zinc/54/13/19/1304541319.db2.gz NFXMMOXGQUSAFF-PXNSSMCTSA-N 2 0 331.504 2.267 20 30 EEEDRP CCC(=O)C[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277852615 1304905958 /nfs/dbraw/zinc/90/59/58/1304905958.db2.gz XTVWWTJJXOWYPL-UHFFFAOYSA-N 2 0 328.460 2.164 20 30 EEEDRP CCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277858376 1304930558 /nfs/dbraw/zinc/93/05/58/1304930558.db2.gz ORIWHQYMLOSHCB-HDICACEKSA-N 2 0 330.476 2.077 20 30 EEEDRP N#CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940777 1305209408 /nfs/dbraw/zinc/20/94/08/1305209408.db2.gz GFEXFFNETGYTLL-AZUAARDMSA-N 2 0 344.503 2.089 20 30 EEEDRP N#Cc1cc(-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360939 1309313606 /nfs/dbraw/zinc/31/36/06/1309313606.db2.gz QADIPMWYWXKCSW-OAQYLSRUSA-N 2 0 332.451 2.445 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001161208296 1314860478 /nfs/dbraw/zinc/86/04/78/1314860478.db2.gz OLPVCYQTGOXZIA-LJQANCHMSA-N 2 0 340.471 2.186 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714959 1316352644 /nfs/dbraw/zinc/35/26/44/1316352644.db2.gz IWNCWRJCDUSFES-SFHVURJKSA-N 2 0 339.524 2.260 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001151388088 1316518551 /nfs/dbraw/zinc/51/85/51/1316518551.db2.gz UWCVSYYECWBVIH-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152147369 1316638472 /nfs/dbraw/zinc/63/84/72/1316638472.db2.gz MLHKZEGYJUYNRX-IYBDPMFKSA-N 2 0 347.890 2.270 20 30 EEEDRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC#Cc2ccccc2)c1 ZINC001152237254 1316648807 /nfs/dbraw/zinc/64/88/07/1316648807.db2.gz KWIOYELVSBEVDP-UHFFFAOYSA-N 2 0 335.451 2.119 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC001152480505 1316678005 /nfs/dbraw/zinc/67/80/05/1316678005.db2.gz VQGABGGXOCVUHV-LJQANCHMSA-N 2 0 342.487 2.275 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824561 1316893468 /nfs/dbraw/zinc/89/34/68/1316893468.db2.gz UEUPHUKDMXTOIR-BEFAXECRSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC001155900580 1317782113 /nfs/dbraw/zinc/78/21/13/1317782113.db2.gz ZMJOYRBPSOOZAW-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374510 1317985413 /nfs/dbraw/zinc/98/54/13/1317985413.db2.gz QWHCMZMMMZERLI-CABCVRRESA-N 2 0 348.516 2.288 20 30 EEEDRP N#Cc1coc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001254055696 1317993362 /nfs/dbraw/zinc/99/33/62/1317993362.db2.gz ZCSOIRKRQVTICV-UHFFFAOYSA-N 2 0 325.412 2.268 20 30 EEEDRP CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109993 1318415528 /nfs/dbraw/zinc/41/55/28/1318415528.db2.gz XGZUVMSEZQTFCN-QGZVFWFLSA-N 2 0 347.478 2.344 20 30 EEEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001160426512 1320160788 /nfs/dbraw/zinc/16/07/88/1320160788.db2.gz GOCSRNPRYNAJRE-SFHVURJKSA-N 2 0 349.906 2.374 20 30 EEEDRP C=CCOCC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924807 1320678622 /nfs/dbraw/zinc/67/86/22/1320678622.db2.gz LXJKPWUJPATPMU-HDICACEKSA-N 2 0 349.519 2.200 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162458359 1320861444 /nfs/dbraw/zinc/86/14/44/1320861444.db2.gz GSSWGVVIGJGEOU-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001162982967 1321004643 /nfs/dbraw/zinc/00/46/43/1321004643.db2.gz SXFIXJRPEZUFJH-FQEVSTJZSA-N 2 0 341.499 2.012 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001166758145 1321782576 /nfs/dbraw/zinc/78/25/76/1321782576.db2.gz DYNYLCKFIWCRGO-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP CN(C)CC[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276463215 1322142493 /nfs/dbraw/zinc/14/24/93/1322142493.db2.gz FHLLLRFKSHCOCD-UHFFFAOYSA-N 2 0 343.519 2.136 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458455 1323144976 /nfs/dbraw/zinc/14/49/76/1323144976.db2.gz MLJUXGFDBRHKIS-RBUKOAKNSA-N 2 0 345.462 2.073 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001208542378 1324552021 /nfs/dbraw/zinc/55/20/21/1324552021.db2.gz PPAFNXPCAJBHSY-MRXNPFEDSA-N 2 0 339.443 2.428 20 30 EEEDRP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CC#Cc1ccc(F)cc1 ZINC001316606867 1324599849 /nfs/dbraw/zinc/59/98/49/1324599849.db2.gz LYPOZTRKKJVVSJ-IBGZPJMESA-N 2 0 345.462 2.052 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100674027 1338627607 /nfs/dbraw/zinc/62/76/07/1338627607.db2.gz JQIWGJAXGCWWRH-MNNVXMFVSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001122063996 1371943080 /nfs/dbraw/zinc/94/30/80/1371943080.db2.gz SPOZYRHRFXVERQ-RJKRPDFYSA-N 2 0 331.504 2.147 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001100678324 1373117304 /nfs/dbraw/zinc/11/73/04/1373117304.db2.gz HJXLCMWPGKXHDA-MQBCKMQZSA-N 2 0 345.890 2.436 20 30 EEEDRP C=CCNC(=[NH2+])NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000849076552 1373203880 /nfs/dbraw/zinc/20/38/80/1373203880.db2.gz LDTFBJWDRGAAOF-CALCHBBNSA-N 2 0 344.503 2.496 20 30 EEEDRP C[N@H+](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001366033714 1373792131 /nfs/dbraw/zinc/79/21/31/1373792131.db2.gz HUVNUVIBPZDFJP-LJQANCHMSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001367837776 1374281027 /nfs/dbraw/zinc/28/10/27/1374281027.db2.gz UQMZNCZZQWXUEA-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001369278927 1374523880 /nfs/dbraw/zinc/52/38/80/1374523880.db2.gz UFNHTJVKMMKAOV-KBXCAEBGSA-N 2 0 348.466 2.220 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001370906480 1375116025 /nfs/dbraw/zinc/11/60/25/1375116025.db2.gz UXOBJDXQMFJKCW-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001373844111 1376560615 /nfs/dbraw/zinc/56/06/15/1376560615.db2.gz UWKKAFKQVKYPEB-MRXNPFEDSA-N 2 0 346.500 2.233 20 30 EEEDRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccccc1C#N ZINC001378577756 1380078283 /nfs/dbraw/zinc/07/82/83/1380078283.db2.gz TXVCUPMAELDHGR-INIZCTEOSA-N 2 0 340.471 2.029 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378963836 1380331839 /nfs/dbraw/zinc/33/18/39/1380331839.db2.gz QZRBNDKZZBBQHC-OALUTQOASA-N 2 0 344.503 2.375 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001397086598 1391061192 /nfs/dbraw/zinc/06/11/92/1391061192.db2.gz XFVUMBBRJQHCHW-AYOQOUSVSA-N 2 0 342.487 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001752853748 1406488691 /nfs/dbraw/zinc/48/86/91/1406488691.db2.gz SFEYVHZARIQQCM-UHFFFAOYSA-N 2 0 341.499 2.397 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001755097261 1407109808 /nfs/dbraw/zinc/10/98/08/1407109808.db2.gz BWOKGQGIFCNMMN-SJORKVTESA-N 2 0 337.508 2.080 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001755201363 1407210522 /nfs/dbraw/zinc/21/05/22/1407210522.db2.gz QJPRIPDXKVMYAZ-HXUWFJFHSA-N 2 0 341.499 2.303 20 30 EEEDRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC#Cc1ccccc1 ZINC001755597757 1407667557 /nfs/dbraw/zinc/66/75/57/1407667557.db2.gz PDVRFHHISJIVSP-GOSISDBHSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]21 ZINC001755708190 1407761752 /nfs/dbraw/zinc/76/17/52/1407761752.db2.gz LEZWXQVGAWVBTM-MISYRCLQSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[NH+]2CCCCC2)c(F)c1 ZINC001755902931 1407978215 /nfs/dbraw/zinc/97/82/15/1407978215.db2.gz RYZCNTBHTYKJDU-UHFFFAOYSA-N 2 0 345.462 2.431 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691565044 1410397627 /nfs/dbraw/zinc/39/76/27/1410397627.db2.gz WVMGCZONESFSEJ-MOPGFXCFSA-N 2 0 342.487 2.426 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544485 1410728770 /nfs/dbraw/zinc/72/87/70/1410728770.db2.gz UOEBSQVOXAOJJP-QRVBRYPASA-N 2 0 335.536 2.450 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001104256978 757740341 /nfs/dbraw/zinc/74/03/41/757740341.db2.gz YWNUTDDQRCQSFP-HUUCEWRRSA-N 2 0 333.501 2.131 20 30 EEEDRP C=CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001075391409 757902363 /nfs/dbraw/zinc/90/23/63/757902363.db2.gz YZZZUVABFBRADK-ROUUACIJSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cncc3C)CC2)CC1 ZINC001075455855 760778243 /nfs/dbraw/zinc/77/82/43/760778243.db2.gz SBTMKFBXPAFDIN-GOSISDBHSA-N 2 0 342.487 2.165 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087302899 761540222 /nfs/dbraw/zinc/54/02/22/761540222.db2.gz BYPXDZAVKMKIRZ-NEWSRXKRSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211659961 769782030 /nfs/dbraw/zinc/78/20/30/769782030.db2.gz SYRHOYJBXXCIGS-ZWKOTPCHSA-N 2 0 327.472 2.098 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979715802 770939824 /nfs/dbraw/zinc/93/98/24/770939824.db2.gz RXSKNNYOTVBTOA-OTWHNJEPSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980221668 774114495 /nfs/dbraw/zinc/11/44/95/774114495.db2.gz RVXIAKFKQUPFIN-SLFFLAALSA-N 2 0 345.531 2.347 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001167815314 774989878 /nfs/dbraw/zinc/98/98/78/774989878.db2.gz QUZJSXUBTJIRJF-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723196 775932903 /nfs/dbraw/zinc/93/29/03/775932903.db2.gz SLUMLWOEVJUQTR-YLJYHZDGSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981326924 777151650 /nfs/dbraw/zinc/15/16/50/777151650.db2.gz MHZALGWHEUETFC-LJQANCHMSA-N 2 0 349.519 2.130 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443930 /nfs/dbraw/zinc/44/39/30/777443930.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 0 346.500 2.138 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1CCC)CCO2 ZINC000949108823 778507726 /nfs/dbraw/zinc/50/77/26/778507726.db2.gz YFTKKOZHYKUYIO-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151773 778521624 /nfs/dbraw/zinc/52/16/24/778521624.db2.gz IAMGYFPWFVCRNL-OTWHNJEPSA-N 2 0 327.472 2.098 20 30 EEEDRP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473647 779131549 /nfs/dbraw/zinc/13/15/49/779131549.db2.gz ZKNVJPSCQSVYJK-NRSPTQNISA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947359686 779374895 /nfs/dbraw/zinc/37/48/95/779374895.db2.gz AZRHMFUZAQJHIJ-GOEBONIOSA-N 2 0 333.501 2.416 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211711477 779468605 /nfs/dbraw/zinc/46/86/05/779468605.db2.gz IHKCGKKYYQRLHL-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713610 779541278 /nfs/dbraw/zinc/54/12/78/779541278.db2.gz RLEMFQCHSCSHCX-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300170 779623896 /nfs/dbraw/zinc/62/38/96/779623896.db2.gz UYLKHRXFTGYJNZ-RLLQIKCJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997736085 790918737 /nfs/dbraw/zinc/91/87/37/790918737.db2.gz SYXRSYKBPAHSPC-HNNXBMFYSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001088337906 783557267 /nfs/dbraw/zinc/55/72/67/783557267.db2.gz QEWPXDZPSOWBNH-SJORKVTESA-N 2 0 330.476 2.382 20 30 EEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820084 783909979 /nfs/dbraw/zinc/90/99/79/783909979.db2.gz WRGJHVPMYIUGFM-GDBMZVCRSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332284 783929540 /nfs/dbraw/zinc/92/95/40/783929540.db2.gz BXVWWJDJCCYFHU-DOTOQJQBSA-N 2 0 331.460 2.195 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135742988 784351256 /nfs/dbraw/zinc/35/12/56/784351256.db2.gz CDTGJMKSAJWROP-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035721712 785017677 /nfs/dbraw/zinc/01/76/77/785017677.db2.gz YVUZSRKWJZRXLT-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819011223 785362410 /nfs/dbraw/zinc/36/24/10/785362410.db2.gz MOJPXGHPDUTHLO-HXUWFJFHSA-N 2 0 339.439 2.322 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996099367 786010060 /nfs/dbraw/zinc/01/00/60/786010060.db2.gz LYZKIMARCQEDOP-HZPDHXFCSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1C ZINC001089909693 789828512 /nfs/dbraw/zinc/82/85/12/789828512.db2.gz YELRFLKCOFUTCA-NXOAAHMSSA-N 2 0 348.878 2.113 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001146336936 791180560 /nfs/dbraw/zinc/18/05/60/791180560.db2.gz CEMNZJVXGGKYNT-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592809 791362540 /nfs/dbraw/zinc/36/25/40/791362540.db2.gz LMKAAPXJRZFBCD-HZPDHXFCSA-N 2 0 330.476 2.271 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009252 791826225 /nfs/dbraw/zinc/82/62/25/791826225.db2.gz VEDXMUYOIJQYFW-CEXWTWQISA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684559 792224160 /nfs/dbraw/zinc/22/41/60/792224160.db2.gz JAISIXJFKAKMRT-QKLQHJQFSA-N 2 0 342.487 2.200 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCc3ccccc3)C2)C1 ZINC001148320727 792333304 /nfs/dbraw/zinc/33/33/04/792333304.db2.gz FRUSFEHNWNBQMQ-UHFFFAOYSA-N 2 0 341.499 2.271 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992149260 792927377 /nfs/dbraw/zinc/92/73/77/792927377.db2.gz NBLPUEUZZGHMNG-WSTZPKSXSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071200 793534632 /nfs/dbraw/zinc/53/46/32/793534632.db2.gz LNOUYQQWORRWBD-GGPKGHCWSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC000998929388 793572702 /nfs/dbraw/zinc/57/27/02/793572702.db2.gz UTOHEAMXXYUWJK-ACBHZAAOSA-N 2 0 331.504 2.243 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999406108 794420795 /nfs/dbraw/zinc/42/07/95/794420795.db2.gz KGIQPQUUSRBKTB-MNNVXMFVSA-N 2 0 340.471 2.122 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992590 795244838 /nfs/dbraw/zinc/24/48/38/795244838.db2.gz ADPVOFXHBRDYGI-WMZOPIPTSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001093574833 795385150 /nfs/dbraw/zinc/38/51/50/795385150.db2.gz CDHYFIGKCGKANW-QGZVFWFLSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842523 795425465 /nfs/dbraw/zinc/42/54/65/795425465.db2.gz QKVYPWFIDGEBIM-PMACEKPBSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380061 796189303 /nfs/dbraw/zinc/18/93/03/796189303.db2.gz KXVBOHIUAAUSLZ-ZMSDIMECSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456553 796266017 /nfs/dbraw/zinc/26/60/17/796266017.db2.gz ICSDPQICZQYOSA-SFHLNBCPSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(=C)Cl)C2)CC1 ZINC001036902136 796439934 /nfs/dbraw/zinc/43/99/34/796439934.db2.gz FTHUVCZDLFBQHE-QZTJIDSGSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC(=C)C)C2)CC1 ZINC001036903032 796441262 /nfs/dbraw/zinc/44/12/62/796441262.db2.gz ULMWOKUAHJRCNJ-UXHICEINSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902916 796441803 /nfs/dbraw/zinc/44/18/03/796441803.db2.gz SCARNJQWTCNXHU-UXHICEINSA-N 2 0 339.483 2.308 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001171575429 796644802 /nfs/dbraw/zinc/64/48/02/796644802.db2.gz FTFLNUXXUBKQAZ-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171619962 796662876 /nfs/dbraw/zinc/66/28/76/796662876.db2.gz ZVACCSCYXNNKJN-QGZVFWFLSA-N 2 0 330.476 2.196 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078688874 796869283 /nfs/dbraw/zinc/86/92/83/796869283.db2.gz XFCUNRARRCFDOU-MOPGFXCFSA-N 2 0 339.483 2.055 20 30 EEEDRP C[N@H+](C1CCC([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968394 797174556 /nfs/dbraw/zinc/17/45/56/797174556.db2.gz LIMGRKZSLWEXCK-CKUJCDMFSA-N 2 0 336.480 2.480 20 30 EEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001175326940 798078729 /nfs/dbraw/zinc/07/87/29/798078729.db2.gz YYFMSIPUOOQRSN-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175663851 798189600 /nfs/dbraw/zinc/18/96/00/798189600.db2.gz KVMGZQGEMMGBCX-KRWDZBQOSA-N 2 0 349.523 2.289 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603683 798303435 /nfs/dbraw/zinc/30/34/35/798303435.db2.gz FQZYBAFPZOXTTQ-YZGWKJHDSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001176926854 798631153 /nfs/dbraw/zinc/63/11/53/798631153.db2.gz XWBUTTIRSZCHAK-KRWDZBQOSA-N 2 0 327.472 2.189 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001177316783 798855823 /nfs/dbraw/zinc/85/58/23/798855823.db2.gz GZCDYPOSVOVRES-UXHICEINSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001178819172 799658379 /nfs/dbraw/zinc/65/83/79/799658379.db2.gz LRGCGOBUVSSNFX-UHFFFAOYSA-N 2 0 339.524 2.187 20 30 EEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001181641175 800846453 /nfs/dbraw/zinc/84/64/53/800846453.db2.gz NWWMRGFRDDLNFT-JFIYKMOQSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182910412 801396494 /nfs/dbraw/zinc/39/64/94/801396494.db2.gz HSSHHTVXUSXYOS-QWFCFKBJSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183816169 801744212 /nfs/dbraw/zinc/74/42/12/801744212.db2.gz CXMKNMZELZVKLK-DLBZAZTESA-N 2 0 330.476 2.453 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185060157 802307843 /nfs/dbraw/zinc/30/78/43/802307843.db2.gz FDFGUYNDVLNVKM-CJNGLKHVSA-N 2 0 327.900 2.155 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141045 802316684 /nfs/dbraw/zinc/31/66/84/802316684.db2.gz JYRMTEUNDIRLNL-MOPGFXCFSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001185072937 802336600 /nfs/dbraw/zinc/33/66/00/802336600.db2.gz LBTGWRHWOZAHEK-WMZOPIPTSA-N 2 0 342.487 2.084 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004549284 802351833 /nfs/dbraw/zinc/35/18/33/802351833.db2.gz XDSIBZYDUCJLBW-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585795 802425894 /nfs/dbraw/zinc/42/58/94/802425894.db2.gz LGERDSJJQANYLA-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2cncn2C)CC1 ZINC001004595419 802447698 /nfs/dbraw/zinc/44/76/98/802447698.db2.gz GYSLDCBRDQOAHP-SFHVURJKSA-N 2 0 330.476 2.242 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004596531 802450772 /nfs/dbraw/zinc/45/07/72/802450772.db2.gz MWZOLOBQVOPHML-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CCF)CC2)CC1 ZINC001004618136 802494533 /nfs/dbraw/zinc/49/45/33/802494533.db2.gz BLWPPRPMCUMSCI-IBGZPJMESA-N 2 0 349.494 2.004 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678274 802803325 /nfs/dbraw/zinc/80/33/25/802803325.db2.gz XDIGVTHPKVPYHD-CALCHBBNSA-N 2 0 336.439 2.142 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697038 802836717 /nfs/dbraw/zinc/83/67/17/802836717.db2.gz LOYJOBOBDSZBTI-OTWHNJEPSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001108419977 803511209 /nfs/dbraw/zinc/51/12/09/803511209.db2.gz UTGNUCHWHFIRAD-FQEVSTJZSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108827792 804571122 /nfs/dbraw/zinc/57/11/22/804571122.db2.gz BFXHZDCDYDLQBP-OTWHNJEPSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449120 805476242 /nfs/dbraw/zinc/47/62/42/805476242.db2.gz FOYRHYPJYKEBKE-SQNIBIBYSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC001086558453 807213513 /nfs/dbraw/zinc/21/35/13/807213513.db2.gz QORGFFYDRHOYNL-KESTWPANSA-N 2 0 339.483 2.016 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609614 810042858 /nfs/dbraw/zinc/04/28/58/810042858.db2.gz OPJNQKYGRILYKQ-YTQUADARSA-N 2 0 327.472 2.241 20 30 EEEDRP C=CCCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CC)C1 ZINC001130439407 811670638 /nfs/dbraw/zinc/67/06/38/811670638.db2.gz RPUYXBKBFPPJPT-MRXNPFEDSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(Br)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001438398670 1090886138 /nfs/dbraw/zinc/88/61/38/1090886138.db2.gz AAOAJTJIRRWGAW-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001480596388 1100445248 /nfs/dbraw/zinc/44/52/48/1100445248.db2.gz JJTWMOAQVDTVBI-CQSZACIVSA-N 2 0 334.489 2.090 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001507329854 1115195809 /nfs/dbraw/zinc/19/58/09/1115195809.db2.gz WYURFPBJWRWUBP-ZIAGYGMSSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396218 781924322 /nfs/dbraw/zinc/92/43/22/781924322.db2.gz JRCFRMUFIDETBU-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105396746 781960430 /nfs/dbraw/zinc/96/04/30/781960430.db2.gz UUVILLYDZCBUEG-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000491617238 533099268 /nfs/dbraw/zinc/09/92/68/533099268.db2.gz CFVRPSZVQNTDMT-UHFFFAOYSA-N 2 0 342.365 2.154 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000368330597 166089532 /nfs/dbraw/zinc/08/95/32/166089532.db2.gz GYSOYZITVXEFNT-UHFFFAOYSA-N 2 0 326.488 2.408 20 30 EEEDRP COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1C#N ZINC000369114187 166193362 /nfs/dbraw/zinc/19/33/62/166193362.db2.gz ZVWWZYLFKSWFDK-LPHOPBHVSA-N 2 0 342.487 2.025 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341182867 465038007 /nfs/dbraw/zinc/03/80/07/465038007.db2.gz GZWOKWYAPJXDCU-LJQANCHMSA-N 2 0 332.488 2.428 20 30 EEEDRP C=CC[C@H](CO)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000341254514 465076785 /nfs/dbraw/zinc/07/67/85/465076785.db2.gz FQBJKMYVXXRVKS-HNNXBMFYSA-N 2 0 337.895 2.366 20 30 EEEDRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000328909834 465164828 /nfs/dbraw/zinc/16/48/28/465164828.db2.gz NBSFFDXEUZARLW-CRAIPNDOSA-N 2 0 334.464 2.057 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000088560386 462636274 /nfs/dbraw/zinc/63/62/74/462636274.db2.gz HGKFDBLSUCCIDB-UHFFFAOYSA-N 2 0 348.491 2.393 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(OC)c2)CC1 ZINC000290448261 464119076 /nfs/dbraw/zinc/11/90/76/464119076.db2.gz CJNBYAHFXUHQEZ-INIZCTEOSA-N 2 0 330.476 2.115 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290753896 464130453 /nfs/dbraw/zinc/13/04/53/464130453.db2.gz YNPGCVBYSPOXNG-AEFFLSMTSA-N 2 0 332.492 2.228 20 30 EEEDRP CC[NH+]=C(NCc1ccc([C@H](C)O)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175956420 464668106 /nfs/dbraw/zinc/66/81/06/464668106.db2.gz VIHGSOWRZFOCBJ-QFBILLFUSA-N 2 0 342.487 2.152 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182721581 464716106 /nfs/dbraw/zinc/71/61/06/464716106.db2.gz LQUOEZVJHRJYGJ-AEFFLSMTSA-N 2 0 334.508 2.153 20 30 EEEDRP CC[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC[NH2+]1 ZINC000593919318 468434089 /nfs/dbraw/zinc/43/40/89/468434089.db2.gz TTZSESQHHJRCFR-FQEVSTJZSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417535547 466879462 /nfs/dbraw/zinc/87/94/62/466879462.db2.gz WTNIOQORUYEMMW-FUHWJXTLSA-N 2 0 334.508 2.201 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000569919968 468562556 /nfs/dbraw/zinc/56/25/56/468562556.db2.gz ARAKJABPTNIATG-LJQANCHMSA-N 2 0 343.471 2.295 20 30 EEEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000598611815 468933204 /nfs/dbraw/zinc/93/32/04/468933204.db2.gz PXQMVUBTMATGET-CEXWTWQISA-N 2 0 327.472 2.351 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000602507165 469342350 /nfs/dbraw/zinc/34/23/50/469342350.db2.gz CGQCKURBFMVTDA-UHFFFAOYSA-N 2 0 349.482 2.251 20 30 EEEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC000657612965 471186472 /nfs/dbraw/zinc/18/64/72/471186472.db2.gz HBCUHBACJFTDFA-UHFFFAOYSA-N 2 0 340.475 2.251 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660598357 471409560 /nfs/dbraw/zinc/40/95/60/471409560.db2.gz XJKVOZAVKOCOCR-SFHVURJKSA-N 2 0 348.535 2.448 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000764646402 577740825 /nfs/dbraw/zinc/74/08/25/577740825.db2.gz CLURCFBFHHHMCP-GOSISDBHSA-N 2 0 331.460 2.066 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746637920 577931390 /nfs/dbraw/zinc/93/13/90/577931390.db2.gz UWGINGSRXGMASE-DLBZAZTESA-N 2 0 333.863 2.157 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001021090517 675716188 /nfs/dbraw/zinc/71/61/88/675716188.db2.gz YBVPXNQZAUILOS-VDGAXYAQSA-N 2 0 339.483 2.330 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021090839 675716456 /nfs/dbraw/zinc/71/64/56/675716456.db2.gz LSRMDYWIXZKXJR-ZNZJMJLKSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637004 676292366 /nfs/dbraw/zinc/29/23/66/676292366.db2.gz VVIPSELAWKLMHS-QFBILLFUSA-N 2 0 336.439 2.284 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022071419 676637914 /nfs/dbraw/zinc/63/79/14/676637914.db2.gz PKQFBASZYLGLHH-CEXWTWQISA-N 2 0 340.471 2.168 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001022105860 676657545 /nfs/dbraw/zinc/65/75/45/676657545.db2.gz BJSGZQRIXMNPBJ-ZSYWTGECSA-N 2 0 340.471 2.025 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000972583851 679356570 /nfs/dbraw/zinc/35/65/70/679356570.db2.gz ZKLSFGPMGLFVKC-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553126 679374342 /nfs/dbraw/zinc/37/43/42/679374342.db2.gz VWNGVYWHPHFLFS-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712469 681372780 /nfs/dbraw/zinc/37/27/80/681372780.db2.gz YXFKRZBNANWHJV-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001025629249 683160359 /nfs/dbraw/zinc/16/03/59/683160359.db2.gz DWCIDAZACWXREY-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864730 685640088 /nfs/dbraw/zinc/64/00/88/685640088.db2.gz QWBCSFGCFHVHTO-IBGZPJMESA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC000992746397 683361296 /nfs/dbraw/zinc/36/12/96/683361296.db2.gz WPMCTGQOFSOTCD-BHIYHBOVSA-N 2 0 345.531 2.489 20 30 EEEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000237159255 683450354 /nfs/dbraw/zinc/45/03/54/683450354.db2.gz KPUMBDMOEJIFHG-UHFFFAOYSA-N 2 0 344.503 2.485 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC000978616671 693750824 /nfs/dbraw/zinc/75/08/24/693750824.db2.gz PJBXNCZPCPCKPV-VQHPVUNQSA-N 2 0 339.911 2.155 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001026360154 684435987 /nfs/dbraw/zinc/43/59/87/684435987.db2.gz IWLQLYUZUZAOLH-SLFFLAALSA-N 2 0 341.499 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001026369748 684464847 /nfs/dbraw/zinc/46/48/47/684464847.db2.gz IPCXYQVTQGZLCW-YESZJQIVSA-N 2 0 339.911 2.297 20 30 EEEDRP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)Cc3ncc[nH]3)CC2)c1 ZINC001026583572 684759921 /nfs/dbraw/zinc/75/99/21/684759921.db2.gz ZCMOTLLYRQYHFC-UHFFFAOYSA-N 2 0 337.427 2.041 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978800542 693903247 /nfs/dbraw/zinc/90/32/47/693903247.db2.gz RQSGJQYQXGODEH-NXOAAHMSSA-N 2 0 339.911 2.296 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608717 685123091 /nfs/dbraw/zinc/12/30/91/685123091.db2.gz XXTMHKAIZWRRCH-FUHWJXTLSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062890 686020339 /nfs/dbraw/zinc/02/03/39/686020339.db2.gz DJFXRUVGMNOOBJ-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328369 686331122 /nfs/dbraw/zinc/33/11/22/686331122.db2.gz SQDUCEMKTABRAW-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332420 687514982 /nfs/dbraw/zinc/51/49/82/687514982.db2.gz OZOXLSHKSUSYFL-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988966340 691333099 /nfs/dbraw/zinc/33/30/99/691333099.db2.gz LEKXCCQLULIFHX-QAPCUYQASA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978271445 693437736 /nfs/dbraw/zinc/43/77/36/693437736.db2.gz MIPTVTVBFKUFBF-OKYOBFRVSA-N 2 0 331.504 2.264 20 30 EEEDRP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268405136 1182516003 /nfs/dbraw/zinc/51/60/03/1182516003.db2.gz QIJUDQNJHCGBQX-QAPCUYQASA-N 2 0 333.451 2.002 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001753869400 1182594410 /nfs/dbraw/zinc/59/44/10/1182594410.db2.gz REJUGQYTOXEGPP-UHFFFAOYSA-N 2 0 333.520 2.158 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)CCC1 ZINC001105566788 1188180510 /nfs/dbraw/zinc/18/05/10/1188180510.db2.gz VJEHNWWFIIGYNC-QGZVFWFLSA-N 2 0 328.460 2.117 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001485072661 1191642522 /nfs/dbraw/zinc/64/25/22/1191642522.db2.gz JIXYLPYOMRVPJI-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccc(C#N)s1 ZINC001486178755 1193716651 /nfs/dbraw/zinc/71/66/51/1193716651.db2.gz DWODVYZEAOROSD-PBHICJAKSA-N 2 0 348.516 2.431 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033417657 1194540532 /nfs/dbraw/zinc/54/05/32/1194540532.db2.gz WVOIUGCBGPCLMC-VQIMIIECSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898879 1195466582 /nfs/dbraw/zinc/46/65/82/1195466582.db2.gz ZAWGZZATCAWRJY-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001034046989 1195698754 /nfs/dbraw/zinc/69/87/54/1195698754.db2.gz WYBOXENXYYYJAW-ZWKOTPCHSA-N 2 0 337.483 2.003 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240417 1195990974 /nfs/dbraw/zinc/99/09/74/1195990974.db2.gz IEQXIVIHTFFDJV-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034818032 1196775673 /nfs/dbraw/zinc/77/56/73/1196775673.db2.gz HYUPTYCFROHHFR-FQEVSTJZSA-N 2 0 339.483 2.290 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409530 1199675967 /nfs/dbraw/zinc/67/59/67/1199675967.db2.gz AOVXCHFJZYITJL-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613573 1199690433 /nfs/dbraw/zinc/69/04/33/1199690433.db2.gz WEVMYWCWRNKTBH-HOTGVXAUSA-N 2 0 342.487 2.415 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133012867 1200334182 /nfs/dbraw/zinc/33/41/82/1200334182.db2.gz VNDGRDZCXFSRHF-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001133398062 1200836856 /nfs/dbraw/zinc/83/68/56/1200836856.db2.gz BJNGTBOQYOXLOI-UHFFFAOYSA-N 2 0 347.890 2.376 20 30 EEEDRP CC[C@H](C(=O)NCCNCc1cc(F)ccc1C#N)[NH+](CC)CC ZINC001133683918 1201179805 /nfs/dbraw/zinc/17/98/05/1201179805.db2.gz APZGTNRXLXCMHP-QGZVFWFLSA-N 2 0 334.439 2.024 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533682 1205862015 /nfs/dbraw/zinc/86/20/15/1205862015.db2.gz JMSGNEAXXZDDHM-XWSJACJDSA-N 2 0 329.488 2.138 20 30 EEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741155 1208454471 /nfs/dbraw/zinc/45/44/71/1208454471.db2.gz UEMBPKRUZUSCDE-NJAFHUGGSA-N 2 0 337.427 2.179 20 30 EEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947536939 1208611164 /nfs/dbraw/zinc/61/11/64/1208611164.db2.gz KDHQTBPKHIQEFT-GJZGRUSLSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)CC1 ZINC000948069985 1208854145 /nfs/dbraw/zinc/85/41/45/1208854145.db2.gz LYWHKQXFUUDGCR-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957545259 1215198695 /nfs/dbraw/zinc/19/86/95/1215198695.db2.gz KCAYZRIAHWZPGL-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)CC2)CC1 ZINC000957591958 1215237208 /nfs/dbraw/zinc/23/72/08/1215237208.db2.gz DPKBIUYMQYBOQO-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)ccc1OC(F)F ZINC000305007611 1216131613 /nfs/dbraw/zinc/13/16/13/1216131613.db2.gz JJOVXJLMOKGGKQ-AWEZNQCLSA-N 2 0 340.418 2.485 20 30 EEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001412949517 1216145613 /nfs/dbraw/zinc/14/56/13/1216145613.db2.gz VGFVFQJCWYJLMI-RTBURBONSA-N 2 0 331.460 2.024 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960146087 1216383995 /nfs/dbraw/zinc/38/39/95/1216383995.db2.gz ANVPUYYAYGVUJO-ZSHCYNCHSA-N 2 0 333.501 2.436 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)C2)CC1 ZINC000960221732 1216433634 /nfs/dbraw/zinc/43/36/34/1216433634.db2.gz ZGHHECRGGAPEHZ-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961570870 1217226822 /nfs/dbraw/zinc/22/68/22/1217226822.db2.gz ZUEQJWUMPGLCMZ-ZSYWTGECSA-N 2 0 331.504 2.406 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390114 1217587202 /nfs/dbraw/zinc/58/72/02/1217587202.db2.gz JINUFOAHDAMZOU-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000968890536 1221650146 /nfs/dbraw/zinc/65/01/46/1221650146.db2.gz JYBKSSKDQIRKNP-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016620175 1226693600 /nfs/dbraw/zinc/69/36/00/1226693600.db2.gz IPPRFUDQRDEXHR-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001017572320 1227533903 /nfs/dbraw/zinc/53/39/03/1227533903.db2.gz CTFKTIHUEGEYPR-DAYGRLMNSA-N 2 0 343.475 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001019816193 1229361942 /nfs/dbraw/zinc/36/19/42/1229361942.db2.gz UMZFSQFMEAYBPO-XLIONFOSSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001019816192 1229362017 /nfs/dbraw/zinc/36/20/17/1229362017.db2.gz UMZFSQFMEAYBPO-PXNSSMCTSA-N 2 0 339.483 2.283 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155807 1230375749 /nfs/dbraw/zinc/37/57/49/1230375749.db2.gz DNXJKBDTELPFGJ-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039165700 1230387065 /nfs/dbraw/zinc/38/70/65/1230387065.db2.gz RIPGKOLOBGYCBZ-PKOBYXMFSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001040741607 1231354444 /nfs/dbraw/zinc/35/44/44/1231354444.db2.gz XDLGGPTVSOGXPN-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757700 1231359655 /nfs/dbraw/zinc/35/96/55/1231359655.db2.gz XGHNHXCCTPURBM-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@H](C)CC)C3)C2)CC1 ZINC001041842711 1231726694 /nfs/dbraw/zinc/72/66/94/1231726694.db2.gz ATOAOEWCQXEDRZ-WIYYLYMNSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844800 1231728163 /nfs/dbraw/zinc/72/81/63/1231728163.db2.gz NRRXKOWRVCVXKX-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054830614 1249176514 /nfs/dbraw/zinc/17/65/14/1249176514.db2.gz OTXLUHZNRNPSBP-BDJLRTHQSA-N 2 0 332.835 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663321 1233892978 /nfs/dbraw/zinc/89/29/78/1233892978.db2.gz LTXIATJAHDJEMY-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942846 1234201966 /nfs/dbraw/zinc/20/19/66/1234201966.db2.gz BEIHJXMOMTVGCD-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241714 1235729065 /nfs/dbraw/zinc/72/90/65/1235729065.db2.gz SWXRCUJFJUVXKI-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001047246015 1235739850 /nfs/dbraw/zinc/73/98/50/1235739850.db2.gz GIEBHLXMSVZJNR-LJQANCHMSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818799 1238731273 /nfs/dbraw/zinc/73/12/73/1238731273.db2.gz NZNVPSMJFWFXBS-AKHDSKFASA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC001000292571 1240138491 /nfs/dbraw/zinc/13/84/91/1240138491.db2.gz RZZKFDKMOVQQNI-UHFFFAOYSA-N 2 0 339.483 2.356 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049519774 1241220055 /nfs/dbraw/zinc/22/00/55/1241220055.db2.gz AZFMTJKWCXTLST-ZCNNSNEGSA-N 2 0 343.515 2.482 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001469019 1242332539 /nfs/dbraw/zinc/33/25/39/1242332539.db2.gz ZCBQKPXPCMRWEI-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCC2)CC1 ZINC001049909419 1242656971 /nfs/dbraw/zinc/65/69/71/1242656971.db2.gz AXGQHWLZONKQLV-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073899504 1242762559 /nfs/dbraw/zinc/76/25/59/1242762559.db2.gz VTCFEWLYXUNPOS-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050181250 1243060701 /nfs/dbraw/zinc/06/07/01/1243060701.db2.gz HLHGHPFCMMKMCV-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036613 1245735683 /nfs/dbraw/zinc/73/56/83/1245735683.db2.gz NRLJOUWDRKWQAN-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046582 1245763504 /nfs/dbraw/zinc/76/35/04/1245763504.db2.gz LFHKZIZTWQBXOT-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001101551625 1245956565 /nfs/dbraw/zinc/95/65/65/1245956565.db2.gz TXFCFMPDGIXYSJ-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCC)CC1 ZINC001111456689 1246239051 /nfs/dbraw/zinc/23/90/51/1246239051.db2.gz PUHHDJBLFODKLL-QRVBRYPASA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)O2 ZINC001053621596 1246545866 /nfs/dbraw/zinc/54/58/66/1246545866.db2.gz IKTMHWFKMBKLRI-MSOLQXFVSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054060435 1247272708 /nfs/dbraw/zinc/27/27/08/1247272708.db2.gz MSVJSUFMTOWUDC-UXHICEINSA-N 2 0 341.499 2.447 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448178 1247310325 /nfs/dbraw/zinc/31/03/25/1247310325.db2.gz WNQCUSOMRZLCMY-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281492 1247998191 /nfs/dbraw/zinc/99/81/91/1247998191.db2.gz MYSOFZDZMQOICH-HNAYVOBHSA-N 2 0 327.472 2.392 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099358 1254930346 /nfs/dbraw/zinc/93/03/46/1254930346.db2.gz PSKZFUOCRJRBTB-WMZOPIPTSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001201037480 1287266374 /nfs/dbraw/zinc/26/63/74/1287266374.db2.gz JVWUWAAJBPTMCC-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192353812 1281945504 /nfs/dbraw/zinc/94/55/04/1281945504.db2.gz ICZNVCJKWVPZCH-YJBOKZPZSA-N 2 0 325.472 2.308 20 30 EEEDRP C#Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)cc1 ZINC001273674115 1282955521 /nfs/dbraw/zinc/95/55/21/1282955521.db2.gz KKWCLKOCCLVDNX-OAQYLSRUSA-N 2 0 339.483 2.187 20 30 EEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1OC ZINC001198959922 1285443241 /nfs/dbraw/zinc/44/32/41/1285443241.db2.gz FAWCVAQJFOOCEG-KRWDZBQOSA-N 2 0 343.471 2.114 20 30 EEEDRP C=CC[NH2+][C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198967090 1285449450 /nfs/dbraw/zinc/44/94/50/1285449450.db2.gz BQOPGHNTAJMWDH-QGZVFWFLSA-N 2 0 333.476 2.360 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110615088 1291585963 /nfs/dbraw/zinc/58/59/63/1291585963.db2.gz FPGVLXJGHCAMKZ-TWMKSMIVSA-N 2 0 325.472 2.354 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387825 1296884664 /nfs/dbraw/zinc/88/46/64/1296884664.db2.gz VDLGFQNNCZNFFE-BHIYHBOVSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216351629 1297144240 /nfs/dbraw/zinc/14/42/40/1297144240.db2.gz FYNKHLRSVZSABM-QRQLOZEOSA-N 2 0 327.472 2.139 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801670 1297544728 /nfs/dbraw/zinc/54/47/28/1297544728.db2.gz RFDRVMSXEHVRAW-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001073850411 1297601007 /nfs/dbraw/zinc/60/10/07/1297601007.db2.gz BSBSZENYJHGUHF-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP N#Cc1c(NC(=O)c2cccc3c2C[NH2+]CC3)sc2c1CC[NH2+]C2 ZINC001218556613 1297711038 /nfs/dbraw/zinc/71/10/38/1297711038.db2.gz VEJCOTWCANBUIH-UHFFFAOYSA-N 2 0 338.436 2.163 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521452 1299179763 /nfs/dbraw/zinc/17/97/63/1299179763.db2.gz RINTYYXTBIGHNK-MLHJIOFPSA-N 2 0 331.504 2.073 20 30 EEEDRP CCOC(=O)[C@@]12C[N@H+](Cc3ccccc3CC#N)C[C@@H]1C[NH2+]CCC2 ZINC001222135433 1299377471 /nfs/dbraw/zinc/37/74/71/1299377471.db2.gz CCBMNHRQLDPVKX-ICSRJNTNSA-N 2 0 341.455 2.117 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229231247 1302686321 /nfs/dbraw/zinc/68/63/21/1302686321.db2.gz OWDJKFOJTGTYEL-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC001103751829 1303296725 /nfs/dbraw/zinc/29/67/25/1303296725.db2.gz UKDDUHFCDRXIOG-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP N#CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940778 1305209706 /nfs/dbraw/zinc/20/97/06/1305209706.db2.gz GFEXFFNETGYTLL-ICSRJNTNSA-N 2 0 344.503 2.089 20 30 EEEDRP C=CCN1CC[C@]2(CCC[N@@H+](C[C@H](N)Cc3ccccc3)C2)C1=O ZINC001235495028 1305252216 /nfs/dbraw/zinc/25/22/16/1305252216.db2.gz VNVVZJFMNGERFV-QUCCMNQESA-N 2 0 327.472 2.057 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)c2occc2C[NH+](C)C)CCCCC1 ZINC001115696024 1305628791 /nfs/dbraw/zinc/62/87/91/1305628791.db2.gz BHBDBZKTZLTING-UHFFFAOYSA-N 2 0 331.460 2.387 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708172 1305644862 /nfs/dbraw/zinc/64/48/62/1305644862.db2.gz RVJYWRCACRQBHQ-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCCC1 ZINC001115708221 1305645145 /nfs/dbraw/zinc/64/51/45/1305645145.db2.gz UVNFLOJZMCMQCO-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CCCCCCCCS(=O)(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001239167206 1309046678 /nfs/dbraw/zinc/04/66/78/1309046678.db2.gz KPCBNDCOOGBDPH-KRWDZBQOSA-N 2 0 347.569 2.292 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448659 1309545547 /nfs/dbraw/zinc/54/55/47/1309545547.db2.gz DCAKGLOWBRLXOD-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001246305663 1310276766 /nfs/dbraw/zinc/27/67/66/1310276766.db2.gz INJDZYWVVUWEEL-WMZOPIPTSA-N 3 0 337.508 2.210 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246388993 1310296576 /nfs/dbraw/zinc/29/65/76/1310296576.db2.gz HYNKNZOXZMMSNY-SJORKVTESA-N 2 0 332.879 2.238 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001161041837 1320365546 /nfs/dbraw/zinc/36/55/46/1320365546.db2.gz MSLYLSGTFOOTJC-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001151308799 1316501355 /nfs/dbraw/zinc/50/13/55/1316501355.db2.gz VQBQMISHGYHBAF-UHFFFAOYSA-N 2 0 339.524 2.138 20 30 EEEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001153998275 1316933128 /nfs/dbraw/zinc/93/31/28/1316933128.db2.gz LVZVSIHKZKNJQP-CZUORRHYSA-N 2 0 336.505 2.287 20 30 EEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154012653 1316936342 /nfs/dbraw/zinc/93/63/42/1316936342.db2.gz HYBMFNWDKXFLAP-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=C1C[NH2+][C@](C)(c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)C1 ZINC001249232121 1317030486 /nfs/dbraw/zinc/03/04/86/1317030486.db2.gz WFBPUMCJZSPYFZ-IBGZPJMESA-N 2 0 339.443 2.253 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023474 1317423693 /nfs/dbraw/zinc/42/36/93/1317423693.db2.gz HJAIVTYDNGRUNC-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCOCc1nn(C2CCN(c3cc[nH+]cc3)CC2)c2c1C[NH2+]C2 ZINC001256859666 1318876610 /nfs/dbraw/zinc/87/66/10/1318876610.db2.gz OLQPILKOGSQDRM-UHFFFAOYSA-N 2 0 339.443 2.425 20 30 EEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158751019 1319418415 /nfs/dbraw/zinc/41/84/15/1319418415.db2.gz PGLFZHNEZDYDHY-QZTJIDSGSA-N 2 0 339.524 2.232 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001159901374 1320015778 /nfs/dbraw/zinc/01/57/78/1320015778.db2.gz FTKYLRMUFQSXCL-IBGZPJMESA-N 2 0 342.487 2.417 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001160870471 1320299238 /nfs/dbraw/zinc/29/92/38/1320299238.db2.gz YAUOPFQOIJIDSF-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001161250716 1320434374 /nfs/dbraw/zinc/43/43/74/1320434374.db2.gz COHDGDXTCAOXKK-UHFFFAOYSA-N 2 0 334.439 2.024 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953625 1320693597 /nfs/dbraw/zinc/69/35/97/1320693597.db2.gz YPNXAEPVHWXRNG-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001162836887 1320971244 /nfs/dbraw/zinc/97/12/44/1320971244.db2.gz VRUILHWFRJKYQM-HXUWFJFHSA-N 2 0 341.499 2.155 20 30 EEEDRP C[NH+](C)C1(CC(=O)NCCC[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001163297941 1321090654 /nfs/dbraw/zinc/09/06/54/1321090654.db2.gz VSYBDQKPKLMWHI-UHFFFAOYSA-N 2 0 348.516 2.480 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485134 1321533856 /nfs/dbraw/zinc/53/38/56/1321533856.db2.gz NIEMRRSTXWXHPG-SFHVURJKSA-N 2 0 331.504 2.293 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518876 1323174363 /nfs/dbraw/zinc/17/43/63/1323174363.db2.gz NUXYLJKELHWTOG-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288724 1323449002 /nfs/dbraw/zinc/44/90/02/1323449002.db2.gz XWKVHNRRVWUQLD-UHFFFAOYSA-N 2 0 327.900 2.299 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206875931 1323655887 /nfs/dbraw/zinc/65/58/87/1323655887.db2.gz FYYWOKXNMXBOFW-UHFFFAOYSA-N 2 0 336.867 2.342 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206953678 1323740994 /nfs/dbraw/zinc/74/09/94/1323740994.db2.gz ZJSBQCIVBSVZGI-UHFFFAOYSA-N 2 0 341.499 2.207 20 30 EEEDRP CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104197 1323851605 /nfs/dbraw/zinc/85/16/05/1323851605.db2.gz NKITVGQOVFPCQS-LJQANCHMSA-N 2 0 330.476 2.220 20 30 EEEDRP CC[NH+](CC)CCN1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208844625 1324686865 /nfs/dbraw/zinc/68/68/65/1324686865.db2.gz LDMBTDJNDQMCRZ-UHFFFAOYSA-N 2 0 328.504 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCCCC)CC1 ZINC001316611685 1325211727 /nfs/dbraw/zinc/21/17/27/1325211727.db2.gz WQMRKYAOBKIPIW-LJQANCHMSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC001312787224 1331791508 /nfs/dbraw/zinc/79/15/08/1331791508.db2.gz DQXCTHMEEUZJCS-GOSISDBHSA-N 2 0 336.524 2.141 20 30 EEEDRP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001343965477 1337359884 /nfs/dbraw/zinc/35/98/84/1337359884.db2.gz BZFLUNVJHSVGHB-KRWDZBQOSA-N 2 0 346.523 2.194 20 30 EEEDRP CC(C)C[C@@H]([NH3+])CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001575627447 1343847234 /nfs/dbraw/zinc/84/72/34/1343847234.db2.gz SYPQTVRPBDTUFB-GOSISDBHSA-N 2 0 342.487 2.402 20 30 EEEDRP COCC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC[NH2+]CC1 ZINC001578983060 1344326245 /nfs/dbraw/zinc/32/62/45/1344326245.db2.gz ZMIABCYFWHICGS-UHFFFAOYSA-N 2 0 330.476 2.142 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1sccc1C#N ZINC001647455434 1353284120 /nfs/dbraw/zinc/28/41/20/1353284120.db2.gz BQWFTAMCRSLVOR-HNNXBMFYSA-N 2 0 349.504 2.500 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353348 1371409737 /nfs/dbraw/zinc/40/97/37/1371409737.db2.gz CVPCAJKPKGSCKE-NSHGMRRFSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001371071734 1375203470 /nfs/dbraw/zinc/20/34/70/1375203470.db2.gz NORWFQBRSSKRBY-ACBHZAAOSA-N 2 0 342.487 2.415 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001376260823 1378403161 /nfs/dbraw/zinc/40/31/61/1378403161.db2.gz XJJTZAAOOZCQFL-OALUTQOASA-N 2 0 342.487 2.129 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001377395344 1379202536 /nfs/dbraw/zinc/20/25/36/1379202536.db2.gz RZZOOUWBWCXIIZ-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001378256571 1379826752 /nfs/dbraw/zinc/82/67/52/1379826752.db2.gz IWMNIEZCTOSOBV-AEFFLSMTSA-N 2 0 348.466 2.268 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001381473194 1381618523 /nfs/dbraw/zinc/61/85/23/1381618523.db2.gz ROUDCQXBMPKQTJ-INIZCTEOSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752804037 1406423794 /nfs/dbraw/zinc/42/37/94/1406423794.db2.gz COJQGGHQIYHJTQ-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001398551559 1394102746 /nfs/dbraw/zinc/10/27/46/1394102746.db2.gz DWSYGKRGZJHHEP-HDJSIYSDSA-N 2 0 348.516 2.334 20 30 EEEDRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001400922451 1396729341 /nfs/dbraw/zinc/72/93/41/1396729341.db2.gz GRSDAKGXKNTZKP-QZTJIDSGSA-N 2 0 330.476 2.129 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001574970425 1403529764 /nfs/dbraw/zinc/52/97/64/1403529764.db2.gz VSCSZGJPJZRUQV-MAUKXSAKSA-N 2 0 329.444 2.086 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755445746 1407460079 /nfs/dbraw/zinc/46/00/79/1407460079.db2.gz QEOCZLKHFSBSBR-DLBZAZTESA-N 2 0 339.524 2.136 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001755749434 1407807741 /nfs/dbraw/zinc/80/77/41/1407807741.db2.gz JDEVLRCPDAGGSU-LPHOPBHVSA-N 2 0 327.472 2.260 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001121791288 1410243524 /nfs/dbraw/zinc/24/35/24/1410243524.db2.gz KEQWJAYPNXVALS-FUSSNKQKSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458507 760845963 /nfs/dbraw/zinc/84/59/63/760845963.db2.gz IHDCIHNKFWPWMJ-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211616027 761131205 /nfs/dbraw/zinc/13/12/05/761131205.db2.gz RJCNLRMNNDPEBF-ZCNNSNEGSA-N 2 0 341.499 2.487 20 30 EEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023155 782782633 /nfs/dbraw/zinc/78/26/33/782782633.db2.gz QQLUIVZMCGMBIE-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980169829 774000197 /nfs/dbraw/zinc/00/01/97/774000197.db2.gz JJAVZLZHEYLKIV-BZSNNMDCSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000179608793 774116062 /nfs/dbraw/zinc/11/60/62/774116062.db2.gz JDANAXUTWPDAAH-MOPGFXCFSA-N 2 0 348.535 2.378 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001089825268 777110806 /nfs/dbraw/zinc/11/08/06/777110806.db2.gz ASVLHIKBVPURQZ-REGYPHIPSA-N 2 0 348.450 2.369 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC000981361477 777253176 /nfs/dbraw/zinc/25/31/76/777253176.db2.gz OUGMVVKKHMSACP-MHJFOBGBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720305 779709286 /nfs/dbraw/zinc/70/92/86/779709286.db2.gz DQQNGPPUUOTVOU-CEXWTWQISA-N 2 0 327.472 2.098 20 30 EEEDRP C=C(Cl)CN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172719 781888150 /nfs/dbraw/zinc/88/81/50/781888150.db2.gz MDGGLBBGMHIWGG-ZBFHGGJFSA-N 2 0 339.911 2.442 20 30 EEEDRP C[N@H+](CCC(=O)NCC[NH2+]CC#Cc1ccccc1)C1CCCCC1 ZINC001131815365 783298738 /nfs/dbraw/zinc/29/87/38/783298738.db2.gz AAEVPVULGUQCPL-UHFFFAOYSA-N 2 0 341.499 2.399 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001135314887 783597427 /nfs/dbraw/zinc/59/74/27/783597427.db2.gz INGQVEBPKSEAIU-MSOLQXFVSA-N 2 0 329.488 2.253 20 30 EEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035191974 784077873 /nfs/dbraw/zinc/07/78/73/784077873.db2.gz ICXYUTVZPXEIQZ-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233508 784145667 /nfs/dbraw/zinc/14/56/67/784145667.db2.gz GAHZLOPVGZQHFX-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135743250 784351594 /nfs/dbraw/zinc/35/15/94/784351594.db2.gz HMDVPDUQEKUIDX-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001035423694 784466262 /nfs/dbraw/zinc/46/62/62/784466262.db2.gz LHDUKGQZXOPZPK-KRWDZBQOSA-N 2 0 342.443 2.040 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001035423697 784467724 /nfs/dbraw/zinc/46/77/24/784467724.db2.gz LHDUKGQZXOPZPK-QGZVFWFLSA-N 2 0 342.443 2.040 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794803 785144376 /nfs/dbraw/zinc/14/43/76/785144376.db2.gz KAFFNQLSFPQFEM-LJQANCHMSA-N 2 0 337.483 2.309 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)N(C)C)CC2 ZINC001035857302 785297586 /nfs/dbraw/zinc/29/75/86/785297586.db2.gz LMWRPZZFEAYVII-GOSISDBHSA-N 2 0 327.472 2.400 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001036306324 786216840 /nfs/dbraw/zinc/21/68/40/786216840.db2.gz WUDPOJKXQRFNKD-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478686 786433935 /nfs/dbraw/zinc/43/39/35/786433935.db2.gz TUQQHGAUVRLXEI-GDBMZVCRSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424407 787199052 /nfs/dbraw/zinc/19/90/52/787199052.db2.gz MNXUOHCTNIDIEL-YQVWRLOYSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546521 787586140 /nfs/dbraw/zinc/58/61/40/787586140.db2.gz GDKICSJKCDVMOB-QWFCFKBJSA-N 2 0 349.519 2.034 20 30 EEEDRP CCCC[NH+]=C(NC[C@@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912496991 788206683 /nfs/dbraw/zinc/20/66/83/788206683.db2.gz JWAORJGMUDEPGV-MRXNPFEDSA-N 2 0 325.545 2.004 20 30 EEEDRP C=CCCC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001105724396 789261585 /nfs/dbraw/zinc/26/15/85/789261585.db2.gz ACOIPZDFGOLRJB-KRWDZBQOSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198757 790102781 /nfs/dbraw/zinc/10/27/81/790102781.db2.gz SBLGSIAPNXDUFZ-HWOWSKLDSA-N 2 0 327.900 2.345 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584528 791337452 /nfs/dbraw/zinc/33/74/52/791337452.db2.gz TWGQRCTZOHXECR-DLBZAZTESA-N 2 0 347.503 2.437 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC000998265370 792384874 /nfs/dbraw/zinc/38/48/74/792384874.db2.gz HJWRHNZMBZPXFE-KGLIPLIRSA-N 2 0 344.381 2.287 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C(F)(F)F ZINC000998284543 792463942 /nfs/dbraw/zinc/46/39/42/792463942.db2.gz YRIOIKQYYCMWRK-ZIAGYGMSSA-N 2 0 345.409 2.170 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939705 793027640 /nfs/dbraw/zinc/02/76/40/793027640.db2.gz XWIPFFMZRZKXAV-FHWLQOOXSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540251 794072631 /nfs/dbraw/zinc/07/26/31/794072631.db2.gz NBTQAMVTCHLCPS-NSHGMRRFSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540250 794072742 /nfs/dbraw/zinc/07/27/42/794072742.db2.gz NBTQAMVTCHLCPS-BJLQDIEVSA-N 2 0 331.504 2.101 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC000999345966 794335272 /nfs/dbraw/zinc/33/52/72/794335272.db2.gz CAXSHNMAOWGRFS-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992504039 794433371 /nfs/dbraw/zinc/43/33/71/794433371.db2.gz GAWCYIOWCOLCCO-FPOVZHCZSA-N 2 0 339.483 2.498 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133747 794650604 /nfs/dbraw/zinc/65/06/04/794650604.db2.gz MKROGQSQXXKFTR-CEXWTWQISA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748224 794761588 /nfs/dbraw/zinc/76/15/88/794761588.db2.gz ZMFMOKXQPBNPHR-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371826 795103695 /nfs/dbraw/zinc/10/36/95/795103695.db2.gz VNAGUDYEDKHFOM-RTBURBONSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001168454315 795129445 /nfs/dbraw/zinc/12/94/45/795129445.db2.gz FPPNYFWULPCYFQ-UHFFFAOYSA-N 2 0 331.460 2.244 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC001127322844 795405626 /nfs/dbraw/zinc/40/56/26/795405626.db2.gz YFIJRHNOFZRYDT-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001080997408 796548524 /nfs/dbraw/zinc/54/85/24/796548524.db2.gz BZKPZGMJWPVNFI-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001171579300 796647084 /nfs/dbraw/zinc/64/70/84/796647084.db2.gz SUIGUTSUDWRMMT-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C12CCC2 ZINC001078678517 796836962 /nfs/dbraw/zinc/83/69/62/796836962.db2.gz WAUGIQDOVUGLIA-DLBZAZTESA-N 2 0 337.427 2.084 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741785 796945655 /nfs/dbraw/zinc/94/56/55/796945655.db2.gz KUYJGKZDTUANAX-CVEARBPZSA-N 2 0 339.911 2.488 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001172297988 796964020 /nfs/dbraw/zinc/96/40/20/796964020.db2.gz BZQPVLXWMMAGOF-ATZDWAIDSA-N 2 0 342.487 2.068 20 30 EEEDRP CC(C)[N@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422861 797442067 /nfs/dbraw/zinc/44/20/67/797442067.db2.gz XYKLKUQXEYLFMU-UHFFFAOYSA-N 2 0 328.460 2.222 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782690 797694341 /nfs/dbraw/zinc/69/43/41/797694341.db2.gz LIWRIRAZCJRSBP-FVQBIDKESA-N 2 0 327.900 2.438 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563775 798497701 /nfs/dbraw/zinc/49/77/01/798497701.db2.gz HGUCJLMSKIUAKW-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176845443 798618451 /nfs/dbraw/zinc/61/84/51/798618451.db2.gz TYLYSXQXFVMBFW-HOTGVXAUSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCc2ccccc2)CC1 ZINC001176926539 798631127 /nfs/dbraw/zinc/63/11/27/798631127.db2.gz PDCBPSAPXANOSC-UHFFFAOYSA-N 2 0 341.499 2.060 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072611 798653973 /nfs/dbraw/zinc/65/39/73/798653973.db2.gz JUURXACIUOZFFC-QYZOEREBSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001179122063 799789138 /nfs/dbraw/zinc/78/91/38/799789138.db2.gz SEVXYENRUOCBAW-RDJZCZTQSA-N 2 0 339.443 2.426 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085422491 800480889 /nfs/dbraw/zinc/48/08/89/800480889.db2.gz VQAMKXGLVPVIOM-IPMKNSEASA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181930531 800962631 /nfs/dbraw/zinc/96/26/31/800962631.db2.gz CVQLTTCFAKVUIB-FRFSOERESA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCn2ccnc2C(C)C)C[C@H]1C ZINC001182807285 801356413 /nfs/dbraw/zinc/35/64/13/801356413.db2.gz QCIARWLCCRUOJX-VQIMIIECSA-N 2 0 330.476 2.104 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590719 801612010 /nfs/dbraw/zinc/61/20/10/801612010.db2.gz HVRHJOFDKCGHLT-HSALFYBXSA-N 2 0 345.531 2.465 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184424802 802029794 /nfs/dbraw/zinc/02/97/94/802029794.db2.gz MOUJFVOYZAVQHT-NNVNDSJASA-N 2 0 349.519 2.011 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472235 802161861 /nfs/dbraw/zinc/16/18/61/802161861.db2.gz FLZZCUVEBZVTBC-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004475560 802175137 /nfs/dbraw/zinc/17/51/37/802175137.db2.gz UTRXUOVBTWVYLQ-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697517 802837274 /nfs/dbraw/zinc/83/72/74/802837274.db2.gz VDIKHCPJCDLTGF-HSALFYBXSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946709899 802862721 /nfs/dbraw/zinc/86/27/21/802862721.db2.gz BNZVTXDSFGXVIF-HDICACEKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086478568 803069516 /nfs/dbraw/zinc/06/95/16/803069516.db2.gz SRWNZSJBZZDFSV-UAPYVXQJSA-N 2 0 329.488 2.465 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001112964476 807714821 /nfs/dbraw/zinc/71/48/21/807714821.db2.gz XVRKURPGVDXCHW-MJGOQNOKSA-N 2 0 349.519 2.129 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130711236 811960925 /nfs/dbraw/zinc/96/09/25/811960925.db2.gz RKPVOUZKYRJENM-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001438961763 1091654948 /nfs/dbraw/zinc/65/49/48/1091654948.db2.gz MCUUIMYFGPMWEN-CVEARBPZSA-N 2 0 327.900 2.489 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001440653199 1093925156 /nfs/dbraw/zinc/92/51/56/1093925156.db2.gz YRQKAVCJTBIIDQ-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001442471101 1096800373 /nfs/dbraw/zinc/80/03/73/1096800373.db2.gz WKJSANVJNTXJMN-IBGZPJMESA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001444769012 1099666772 /nfs/dbraw/zinc/66/67/72/1099666772.db2.gz VOKVLZRAVONQNE-OAHLLOKOSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001446421674 1100834765 /nfs/dbraw/zinc/83/47/65/1100834765.db2.gz QMBWQSFFNMQIPV-UONOGXRCSA-N 2 0 346.313 2.206 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001496370340 1100963441 /nfs/dbraw/zinc/96/34/41/1100963441.db2.gz UGQSBGLHTUAWHM-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001499852067 1112513037 /nfs/dbraw/zinc/51/30/37/1112513037.db2.gz CYCPNTULRYDKIT-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268403860 251887035 /nfs/dbraw/zinc/88/70/35/251887035.db2.gz DONLWRQQJSPILH-UHFFFAOYSA-N 2 0 330.472 2.414 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000491536488 533162915 /nfs/dbraw/zinc/16/29/15/533162915.db2.gz JYLRJPBQQIEZJK-UHFFFAOYSA-N 2 0 327.472 2.148 20 30 EEEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000076893796 159092667 /nfs/dbraw/zinc/09/26/67/159092667.db2.gz QGNGERBRJTYHIY-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C[C@H](CC[NH+](C)C)Nc1nc(N[C@@H](C)CC[NH+](C)C)ccc1C#N ZINC000277510769 267149695 /nfs/dbraw/zinc/14/96/95/267149695.db2.gz ACPHCYFQKMUYEE-LSDHHAIUSA-N 2 0 332.496 2.457 20 30 EEEDRP COc1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000581005139 324167282 /nfs/dbraw/zinc/16/72/82/324167282.db2.gz MASVGUWUAGXALY-UHFFFAOYSA-N 2 0 337.427 2.326 20 30 EEEDRP COc1ccc(C#N)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000156195311 462992075 /nfs/dbraw/zinc/99/20/75/462992075.db2.gz CEYYQIQIPXFPGJ-UHFFFAOYSA-N 2 0 329.444 2.111 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185812034 463884193 /nfs/dbraw/zinc/88/41/93/463884193.db2.gz OAUBIIMXTBFDEA-YJBOKZPZSA-N 2 0 328.460 2.150 20 30 EEEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000264105465 464283648 /nfs/dbraw/zinc/28/36/48/464283648.db2.gz PHEPNFMNVCYFGN-UHFFFAOYSA-N 2 0 331.508 2.027 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264136518 464287118 /nfs/dbraw/zinc/28/71/18/464287118.db2.gz ZVWRQTOTOMRYGB-SJLPKXTDSA-N 2 0 331.508 2.068 20 30 EEEDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181467189 464494589 /nfs/dbraw/zinc/49/45/89/464494589.db2.gz WGJRJCVQNCIEHN-INIZCTEOSA-N 2 0 330.476 2.266 20 30 EEEDRP CC(C)CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267396493 464930357 /nfs/dbraw/zinc/93/03/57/464930357.db2.gz DYUGMWCQQUXFFT-UHFFFAOYSA-N 2 0 332.492 2.094 20 30 EEEDRP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000330599426 465724619 /nfs/dbraw/zinc/72/46/19/465724619.db2.gz GGNNYTVKBBRQLQ-UHFFFAOYSA-N 2 0 346.475 2.239 20 30 EEEDRP C[NH+]1CCN(c2cc(C[NH2+]C3CCC(C)(C#N)CC3)ccn2)CC1 ZINC000333617577 466625875 /nfs/dbraw/zinc/62/58/75/466625875.db2.gz XVOWHRTYMGYICL-UHFFFAOYSA-N 2 0 327.476 2.395 20 30 EEEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424179629 466998201 /nfs/dbraw/zinc/99/82/01/466998201.db2.gz ZEFLYLVZGLQEOA-CGTJXYLNSA-N 2 0 328.460 2.034 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433608670 467342424 /nfs/dbraw/zinc/34/24/24/467342424.db2.gz ONDYQGJEUKPJOU-GOSISDBHSA-N 2 0 334.508 2.343 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714670 468630312 /nfs/dbraw/zinc/63/03/12/468630312.db2.gz BBXROSLALKFUSN-ZHALLVOQSA-N 2 0 345.487 2.256 20 30 EEEDRP C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781285 469064946 /nfs/dbraw/zinc/06/49/46/469064946.db2.gz YMHOAHHITPNCRG-SWDXFRIISA-N 2 0 343.471 2.049 20 30 EEEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093132664 526870578 /nfs/dbraw/zinc/87/05/78/526870578.db2.gz MQAIQNPZNQTKTO-LJQANCHMSA-N 2 0 329.488 2.463 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204981 676087699 /nfs/dbraw/zinc/08/76/99/676087699.db2.gz JGOBMPMTXWITAH-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970327020 675790591 /nfs/dbraw/zinc/79/05/91/675790591.db2.gz YNYBSMHKGUCXRM-VQIMIIECSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619005 676272747 /nfs/dbraw/zinc/27/27/47/676272747.db2.gz IUSOEHLBKNIWCR-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700444 676359719 /nfs/dbraw/zinc/35/97/19/676359719.db2.gz PWZSSBAUASVDEK-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001026901784 685274113 /nfs/dbraw/zinc/27/41/13/685274113.db2.gz UKGDVYICSRXCHV-PBHICJAKSA-N 2 0 348.516 2.144 20 30 EEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@H](C(C)C)C2)C1 ZINC000261779240 681187625 /nfs/dbraw/zinc/18/76/25/681187625.db2.gz PBAOZHWUPLEDSI-CVEARBPZSA-N 2 0 326.554 2.367 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCN2CC(=C)Cl)CC1 ZINC001024812682 681465131 /nfs/dbraw/zinc/46/51/31/681465131.db2.gz RBSBMBILTVJVCC-QGZVFWFLSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@@H](F)CC)CC1 ZINC001024813236 681466123 /nfs/dbraw/zinc/46/61/23/681466123.db2.gz WURYTXVGCMUTHH-ZWKOTPCHSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258046 682336584 /nfs/dbraw/zinc/33/65/84/682336584.db2.gz CHBYXQGETCWWDY-MSOLQXFVSA-N 2 0 343.471 2.434 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC000992925692 683656292 /nfs/dbraw/zinc/65/62/92/683656292.db2.gz LVSMMWVIYVVQTN-SLFFLAALSA-N 2 0 339.483 2.212 20 30 EEEDRP CCO[C@@H]1C[C@@H](NC(NC2CC[NH+](C3CC3)CC2)=[NH+]C)C12CCC2 ZINC000262431943 686048497 /nfs/dbraw/zinc/04/84/97/686048497.db2.gz SOWWOASATBBOFA-IAGOWNOFSA-N 2 0 334.508 2.126 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029758206 687023274 /nfs/dbraw/zinc/02/32/74/687023274.db2.gz VGTUPYBWYISJEM-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029767038 687035125 /nfs/dbraw/zinc/03/51/25/687035125.db2.gz KSFVSROZUIQERW-QFBILLFUSA-N 2 0 342.487 2.179 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009627770 688045898 /nfs/dbraw/zinc/04/58/98/688045898.db2.gz MKVATWGEYDTSPY-IBGZPJMESA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C)CC1 ZINC000987568287 689843883 /nfs/dbraw/zinc/84/38/83/689843883.db2.gz HRQFRSWCIYSUHK-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C[C@@H]2C)CC1 ZINC000989829241 692372759 /nfs/dbraw/zinc/37/27/59/692372759.db2.gz PQVRYRMPPAJYIW-QFBILLFUSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947909230 1192500299 /nfs/dbraw/zinc/50/02/99/1192500299.db2.gz YGSUHHNTHCEBGA-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC001482427262 1185680898 /nfs/dbraw/zinc/68/08/98/1185680898.db2.gz ACUBXVCXTQHKBY-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC=C)CC1 ZINC001752825453 1187510658 /nfs/dbraw/zinc/51/06/58/1187510658.db2.gz STWBDDSEVJFETO-IBGZPJMESA-N 2 0 331.504 2.269 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539662 1188161045 /nfs/dbraw/zinc/16/10/45/1188161045.db2.gz MNKJANNJCAKJCA-KZNAEPCWSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559540 1188176320 /nfs/dbraw/zinc/17/63/20/1188176320.db2.gz SJBFYSZDTKPSNF-SFHVURJKSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001034045494 1195697099 /nfs/dbraw/zinc/69/70/99/1195697099.db2.gz JWYSRSCRSAFKDT-AEFFLSMTSA-N 2 0 337.483 2.003 20 30 EEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001034644777 1196466453 /nfs/dbraw/zinc/46/64/53/1196466453.db2.gz NKYPIOKEUHDMMT-BZSNNMDCSA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001034689055 1196562999 /nfs/dbraw/zinc/56/29/99/1196562999.db2.gz GFRFYOORXFEMDB-WKILWMFISA-N 2 0 339.443 2.474 20 30 EEEDRP C#CCNC(=O)CC[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223198 1198096559 /nfs/dbraw/zinc/09/65/59/1198096559.db2.gz NQPBVPROGDIFKJ-UHFFFAOYSA-N 2 0 327.472 2.018 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086717038 1199303623 /nfs/dbraw/zinc/30/36/23/1199303623.db2.gz CMVVFJCHDPQSLC-SCTDSRPQSA-N 2 0 349.519 2.080 20 30 EEEDRP C[C@@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+]1CCCCCC1 ZINC001134756963 1199806674 /nfs/dbraw/zinc/80/66/74/1199806674.db2.gz LHZMUVINBBFGRP-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086695147 1200074648 /nfs/dbraw/zinc/07/46/48/1200074648.db2.gz DFEQKPHOOKIQGZ-ARFHVFGLSA-N 2 0 327.900 2.486 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132884561 1200149148 /nfs/dbraw/zinc/14/91/48/1200149148.db2.gz RTCRMGLRCONLKW-ZFWWWQNUSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133082397 1200412583 /nfs/dbraw/zinc/41/25/83/1200412583.db2.gz GAWACNLBRFWOCG-XJKSGUPXSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342887 1200768111 /nfs/dbraw/zinc/76/81/11/1200768111.db2.gz UAKVNUVIVMWIHW-MJGOQNOKSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1cnc[nH]1 ZINC001133405613 1200869070 /nfs/dbraw/zinc/86/90/70/1200869070.db2.gz IHHYEOGYHAUZPU-UHFFFAOYSA-N 2 0 332.835 2.410 20 30 EEEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001133410664 1200879472 /nfs/dbraw/zinc/87/94/72/1200879472.db2.gz UJIXSDACYAQTQL-QGZVFWFLSA-N 2 0 347.890 2.233 20 30 EEEDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+](CC)CC ZINC001133684699 1201196674 /nfs/dbraw/zinc/19/66/74/1201196674.db2.gz LLDSBSLPZYGECP-QGZVFWFLSA-N 2 0 334.439 2.024 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCC2)c1 ZINC000104164156 1204611639 /nfs/dbraw/zinc/61/16/39/1204611639.db2.gz WTHDCCKMMNRGES-MRXNPFEDSA-N 2 0 345.491 2.292 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000926530366 1206226175 /nfs/dbraw/zinc/22/61/75/1206226175.db2.gz NANAYPSLTVFEES-YQQQUEKLSA-N 2 0 328.456 2.430 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378269 1209101604 /nfs/dbraw/zinc/10/16/04/1209101604.db2.gz SQFDRHWLBRIIPT-IRXDYDNUSA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642667 1209268734 /nfs/dbraw/zinc/26/87/34/1209268734.db2.gz NASCAGGMPHEJND-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+]2CCCC2)CCOCC1 ZINC000304761365 1216104233 /nfs/dbraw/zinc/10/42/33/1216104233.db2.gz UJAJKCRHYJDIRY-UHFFFAOYSA-N 2 0 344.503 2.339 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959907927 1216219444 /nfs/dbraw/zinc/21/94/44/1216219444.db2.gz CYPSLCOSXCJPSO-YSHGAJCASA-N 2 0 331.504 2.264 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961262853 1217116959 /nfs/dbraw/zinc/11/69/59/1217116959.db2.gz QNXBATGIYYKYEF-IAGOWNOFSA-N 2 0 330.476 2.099 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327545 1217522999 /nfs/dbraw/zinc/52/29/99/1217522999.db2.gz DFCRTPXAZWONBE-PKOBYXMFSA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963428219 1217622401 /nfs/dbraw/zinc/62/24/01/1217622401.db2.gz KEMFMBBTNNTYOO-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887412 1221646975 /nfs/dbraw/zinc/64/69/75/1221646975.db2.gz DFTKSNNXRBEPAO-RBUKOAKNSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818413 1226901893 /nfs/dbraw/zinc/90/18/93/1226901893.db2.gz DKQKHJUWKLJYFP-OXQOHEQNSA-N 2 0 349.494 2.193 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155809 1230375455 /nfs/dbraw/zinc/37/54/55/1230375455.db2.gz DNXJKBDTELPFGJ-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039233238 1230465966 /nfs/dbraw/zinc/46/59/66/1230465966.db2.gz JJEUXDYOKCMTQZ-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001039251253 1230487661 /nfs/dbraw/zinc/48/76/61/1230487661.db2.gz QYBFMEYBQJGAKO-RTBURBONSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039375308 1230561486 /nfs/dbraw/zinc/56/14/86/1230561486.db2.gz XFAWHBHWLRTLII-SXLOBPIMSA-N 2 0 343.515 2.340 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040200902 1231097276 /nfs/dbraw/zinc/09/72/76/1231097276.db2.gz JHRKOIRJABWEQR-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347368 1231181137 /nfs/dbraw/zinc/18/11/37/1231181137.db2.gz KAIMKOUDGQDPTJ-PZJWPPBQSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040847848 1231387092 /nfs/dbraw/zinc/38/70/92/1231387092.db2.gz AHFROMXIJYRITP-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCC(=C)C)C3)C2)CC1 ZINC001041844770 1231728049 /nfs/dbraw/zinc/72/80/49/1231728049.db2.gz MPXQQXFRCWNPRW-NRFANRHFSA-N 2 0 343.515 2.222 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845863 1231728723 /nfs/dbraw/zinc/72/87/23/1231728723.db2.gz PVIPZFDHGCUJEL-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001045385462 1233711234 /nfs/dbraw/zinc/71/12/34/1233711234.db2.gz PRTKBOMDXFSQLJ-LJQANCHMSA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979842 1234269723 /nfs/dbraw/zinc/26/97/23/1234269723.db2.gz KJLQOEKCSHRELB-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195684 1240051363 /nfs/dbraw/zinc/05/13/63/1240051363.db2.gz ZHQNANXYVOYUBT-LSDHHAIUSA-N 2 0 346.500 2.185 20 30 EEEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462455 1242507049 /nfs/dbraw/zinc/50/70/49/1242507049.db2.gz SGNPBXAJAQMBPZ-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001073678684 1242638698 /nfs/dbraw/zinc/63/86/98/1242638698.db2.gz BMQGLRQIUHRQTE-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821304 1242735112 /nfs/dbraw/zinc/73/51/12/1242735112.db2.gz GMJARGVRZANSPB-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103383 1242874500 /nfs/dbraw/zinc/87/45/00/1242874500.db2.gz GSXSVLAAXTVWPE-OTWHNJEPSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643080 1243035046 /nfs/dbraw/zinc/03/50/46/1243035046.db2.gz DUQUHEHFSFLKFL-PVAVHDDUSA-N 2 0 329.444 2.090 20 30 EEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001050762462 1244312090 /nfs/dbraw/zinc/31/20/90/1244312090.db2.gz FPIZSFKTHSNKSQ-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701275 1244783649 /nfs/dbraw/zinc/78/36/49/1244783649.db2.gz CALFXXHCSJBBRT-LPHOPBHVSA-N 2 0 337.483 2.193 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036612 1245735346 /nfs/dbraw/zinc/73/53/46/1245735346.db2.gz NRLJOUWDRKWQAN-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001101574833 1245978638 /nfs/dbraw/zinc/97/86/38/1245978638.db2.gz GEAUKENDIXTRJM-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054198519 1247691900 /nfs/dbraw/zinc/69/19/00/1247691900.db2.gz YVMMWUUPATXLTK-MAUKXSAKSA-N 2 0 339.911 2.395 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072910114 1255482173 /nfs/dbraw/zinc/48/21/73/1255482173.db2.gz UNZZRXMSNYYDFO-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099262032 1258048598 /nfs/dbraw/zinc/04/85/98/1258048598.db2.gz BMHLMRBFYJKLMT-RRFJBIMHSA-N 2 0 347.425 2.414 20 30 EEEDRP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001099527946 1258191977 /nfs/dbraw/zinc/19/19/77/1258191977.db2.gz FGOYMNISOGMPSA-MHORFTMASA-N 2 0 333.520 2.319 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190722660 1281033111 /nfs/dbraw/zinc/03/31/11/1281033111.db2.gz FPIICGRVOBQFNG-MSOLQXFVSA-N 2 0 333.520 2.443 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848889 1282209958 /nfs/dbraw/zinc/20/99/58/1282209958.db2.gz YHVHCSVVNWFMTJ-LJQANCHMSA-N 2 0 345.487 2.097 20 30 EEEDRP C=CCOCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448112 1284594711 /nfs/dbraw/zinc/59/47/11/1284594711.db2.gz QIOXYSZKZJXUOU-UHFFFAOYSA-N 2 0 345.487 2.099 20 30 EEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885346 1285411412 /nfs/dbraw/zinc/41/14/12/1285411412.db2.gz FHCMPZRAFPSHRO-PKOBYXMFSA-N 2 0 345.487 2.052 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001201238551 1289371654 /nfs/dbraw/zinc/37/16/54/1289371654.db2.gz BCTZPQVEXBREDG-LJQANCHMSA-N 2 0 345.462 2.098 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CCCO1 ZINC001201849625 1289786443 /nfs/dbraw/zinc/78/64/43/1289786443.db2.gz XIXJBRVVYZVQCF-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP N#Cc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccc1N1CCCCC1 ZINC001218945121 1297875215 /nfs/dbraw/zinc/87/52/15/1297875215.db2.gz UZAJGFWPEZTYGK-INIZCTEOSA-N 2 0 343.475 2.333 20 30 EEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001218995312 1297898045 /nfs/dbraw/zinc/89/80/45/1297898045.db2.gz PWXBHQMQVVHLQH-ZDUSSCGKSA-N 2 0 326.803 2.348 20 30 EEEDRP N#Cc1ccc(-c2ccccc2NC(=O)C[C@@H]([NH3+])CCCC[NH3+])nc1 ZINC001219422757 1298013827 /nfs/dbraw/zinc/01/38/27/1298013827.db2.gz QDUOKRJUNOBYDA-HNNXBMFYSA-N 2 0 337.427 2.405 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001220600227 1298470232 /nfs/dbraw/zinc/47/02/32/1298470232.db2.gz FLUWJHHKGBGMQU-QZTJIDSGSA-N 2 0 336.524 2.469 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001223938082 1300339944 /nfs/dbraw/zinc/33/99/44/1300339944.db2.gz QKFCPEOWGKTYLV-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102184265 1300519868 /nfs/dbraw/zinc/51/98/68/1300519868.db2.gz AMBUXBXOYYSDIS-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224796910 1300740929 /nfs/dbraw/zinc/74/09/29/1300740929.db2.gz UYLNZWCACAFEBI-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377099 1300957153 /nfs/dbraw/zinc/95/71/53/1300957153.db2.gz OEPFCTRONSTHIV-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227792156 1301966811 /nfs/dbraw/zinc/96/68/11/1301966811.db2.gz LJSKXRUGXBGOOZ-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001229632672 1302901065 /nfs/dbraw/zinc/90/10/65/1302901065.db2.gz HFARRFUJMPRCBP-QWFCFKBJSA-N 2 0 327.472 2.114 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166268 1304291032 /nfs/dbraw/zinc/29/10/32/1304291032.db2.gz MAOMNSWRPKNBII-RBSFLKMASA-N 2 0 347.425 2.273 20 30 EEEDRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246115340 1310239773 /nfs/dbraw/zinc/23/97/73/1310239773.db2.gz YPEPFYQXYJGHNB-YJBOKZPZSA-N 2 0 340.471 2.141 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202929463 1314735261 /nfs/dbraw/zinc/73/52/61/1314735261.db2.gz NDXMEAXQVDUVFZ-SJORKVTESA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150036480 1316134582 /nfs/dbraw/zinc/13/45/82/1316134582.db2.gz OPQQITPEBQOFFP-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299706 1316229449 /nfs/dbraw/zinc/22/94/49/1316229449.db2.gz RECFLDZWPLSHHX-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001151129075 1316454505 /nfs/dbraw/zinc/45/45/05/1316454505.db2.gz WZFJZHBPHJIDAL-QGZVFWFLSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001152323912 1316657118 /nfs/dbraw/zinc/65/71/18/1316657118.db2.gz HLNKMNIBSAJNEC-UHFFFAOYSA-N 2 0 333.520 2.254 20 30 EEEDRP C=CCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001252498922 1317617869 /nfs/dbraw/zinc/61/78/69/1317617869.db2.gz SIHLUNUWDHHIRI-YZGWKJHDSA-N 2 0 332.488 2.298 20 30 EEEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001252620857 1317648032 /nfs/dbraw/zinc/64/80/32/1317648032.db2.gz PSIQPTCQCNRXQB-UFYCRDLUSA-N 2 0 335.536 2.242 20 30 EEEDRP N#Cc1ccccc1OC1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C1 ZINC001158773146 1319430034 /nfs/dbraw/zinc/43/00/34/1319430034.db2.gz VHJHZYDILFMHJF-UHFFFAOYSA-N 2 0 349.438 2.148 20 30 EEEDRP N#Cc1cc(C2C[NH2+]C2)cc(N(c2ncccc2N)C2CC[NH2+]CC2)c1 ZINC001159288999 1319720633 /nfs/dbraw/zinc/72/06/33/1319720633.db2.gz MOWOFUUGVHHTLP-UHFFFAOYSA-N 2 0 348.454 2.112 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161649511 1320570226 /nfs/dbraw/zinc/57/02/26/1320570226.db2.gz KQPKOYDGPJGZSF-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](CC)CC)(COC)CC1 ZINC001162481572 1320870535 /nfs/dbraw/zinc/87/05/35/1320870535.db2.gz AJHBDNFUTLZEMA-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)(COC)CC1 ZINC001162617277 1320912989 /nfs/dbraw/zinc/91/29/89/1320912989.db2.gz DRNRWPPGHVBOLY-UHFFFAOYSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001165464597 1321530310 /nfs/dbraw/zinc/53/03/10/1321530310.db2.gz HHDMDFADDBWMAX-SFHVURJKSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001166667979 1321761516 /nfs/dbraw/zinc/76/15/16/1321761516.db2.gz NCCAGIHEIOMMNE-MRXNPFEDSA-N 2 0 347.890 2.129 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203586731 1321916997 /nfs/dbraw/zinc/91/69/97/1321916997.db2.gz ASPICDUXGVADQP-RBUKOAKNSA-N 2 0 343.515 2.149 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2(C)COC2)cc1C#N ZINC001276415807 1321941876 /nfs/dbraw/zinc/94/18/76/1321941876.db2.gz SGLXHOXAUFQYCK-ALOPSCKCSA-N 2 0 328.460 2.018 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742244 1321952333 /nfs/dbraw/zinc/95/23/33/1321952333.db2.gz MNJBHHUUUORHEU-ROUUACIJSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC(=C)C)C23CCC3)CC1 ZINC001203773317 1321958263 /nfs/dbraw/zinc/95/82/63/1321958263.db2.gz VIVGLYNNMJHCSX-OALUTQOASA-N 2 0 343.515 2.315 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001203925863 1321991562 /nfs/dbraw/zinc/99/15/62/1321991562.db2.gz WXGJCUSTJXMWJR-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCO2)CC3)cc1C#N ZINC001276431056 1321998515 /nfs/dbraw/zinc/99/85/15/1321998515.db2.gz AJCVFBJRNSFYOG-IBGZPJMESA-N 2 0 342.487 2.364 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456363 1323143761 /nfs/dbraw/zinc/14/37/61/1323143761.db2.gz SCUZLURGOHIYDE-YTQUADARSA-N 2 0 345.462 2.238 20 30 EEEDRP N#Cc1ccc(NC(=O)NC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC001207441918 1323974317 /nfs/dbraw/zinc/97/43/17/1323974317.db2.gz OGFBNJJJPWYJGE-UHFFFAOYSA-N 2 0 341.459 2.144 20 30 EEEDRP C[NH+]1CCC(CC[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001207484866 1323991290 /nfs/dbraw/zinc/99/12/90/1323991290.db2.gz OCBWNYBAAHQAJR-UHFFFAOYSA-N 2 0 327.476 2.197 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210645832 1325365949 /nfs/dbraw/zinc/36/59/49/1325365949.db2.gz UZHBKAIAWIKHOY-RBUKOAKNSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001340372902 1337171118 /nfs/dbraw/zinc/17/11/18/1337171118.db2.gz DETTWCPRRLSZTL-SFHVURJKSA-N 2 0 337.508 2.021 20 30 EEEDRP C#CCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC001574590604 1343685643 /nfs/dbraw/zinc/68/56/43/1343685643.db2.gz GOMLFIDZFALZGC-GOSISDBHSA-N 2 0 336.524 2.140 20 30 EEEDRP C[NH+]1CCN(c2cc(Nc3nc(Cl)ccc3C#N)cc[nH+]2)CC1 ZINC001201656771 1368828777 /nfs/dbraw/zinc/82/87/77/1368828777.db2.gz ZGGZIAKDKIILNQ-UHFFFAOYSA-N 2 0 328.807 2.497 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353340 1371410085 /nfs/dbraw/zinc/41/00/85/1371410085.db2.gz CNFDFXIFGQUTJC-NSHGMRRFSA-N 2 0 331.504 2.101 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443273 1373899899 /nfs/dbraw/zinc/89/98/99/1373899899.db2.gz XYWJHXOKXKGQRB-RBUKOAKNSA-N 2 0 342.487 2.417 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001367168768 1374111943 /nfs/dbraw/zinc/11/19/43/1374111943.db2.gz BWWUQLDMFSILSK-AEFFLSMTSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)Cc3ccccc3)C[C@H]2C1 ZINC001376409491 1378527531 /nfs/dbraw/zinc/52/75/31/1378527531.db2.gz FVKZCBZRCQSVOJ-HDICACEKSA-N 2 0 347.890 2.261 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001391592379 1389457854 /nfs/dbraw/zinc/45/78/54/1389457854.db2.gz GXKHSTUXUIRVPT-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001397117059 1391090815 /nfs/dbraw/zinc/09/08/15/1391090815.db2.gz DGCUGUSJJFQZPD-HDJSIYSDSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402188403 1397828524 /nfs/dbraw/zinc/82/85/24/1397828524.db2.gz GGMYREVCMRFGNP-DZGCQCFKSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001422547479 1400006058 /nfs/dbraw/zinc/00/60/58/1400006058.db2.gz CFYOMDRKMQWPFV-CYBMUJFWSA-N 2 0 336.505 2.192 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccccc2C#N)C2CC2)CCC1 ZINC001423002470 1400341873 /nfs/dbraw/zinc/34/18/73/1400341873.db2.gz ISKYEQOZFOQLGA-SFHVURJKSA-N 2 0 340.471 2.027 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001423423958 1400574337 /nfs/dbraw/zinc/57/43/37/1400574337.db2.gz ZWMPVQGDJOEUOM-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001755661617 1407711788 /nfs/dbraw/zinc/71/17/88/1407711788.db2.gz PAWWSYGKEOCTHI-VQIMIIECSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001755661615 1407712149 /nfs/dbraw/zinc/71/21/49/1407712149.db2.gz PAWWSYGKEOCTHI-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001755713032 1407766764 /nfs/dbraw/zinc/76/67/64/1407766764.db2.gz TUCQOJDRIXICQL-GBESFXJTSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439741 782356099 /nfs/dbraw/zinc/35/60/99/782356099.db2.gz UEHQZVXFBQERCL-MJGOQNOKSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448091 760371403 /nfs/dbraw/zinc/37/14/03/760371403.db2.gz NOVQMYCQJCSJIK-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896146 765522628 /nfs/dbraw/zinc/52/26/28/765522628.db2.gz MOJMFGZJEDBQHM-QRVBRYPASA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457604 769412662 /nfs/dbraw/zinc/41/26/62/769412662.db2.gz CLHUFEGZUYVKIG-QGZVFWFLSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088019925 782778031 /nfs/dbraw/zinc/77/80/31/782778031.db2.gz MPXSAJBQCCULOK-SJORKVTESA-N 2 0 336.439 2.060 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC(C)(C)C1 ZINC001089548558 770254983 /nfs/dbraw/zinc/25/49/83/770254983.db2.gz LNYGMDIPCUPLFB-PXNSSMCTSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087427951 773671777 /nfs/dbraw/zinc/67/17/77/773671777.db2.gz FGWBJMQHIHRUQK-VBSBHUPXSA-N 2 0 341.499 2.487 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779433 783190747 /nfs/dbraw/zinc/19/07/47/783190747.db2.gz ORPCXVSFLZEHRH-OKYOBFRVSA-N 2 0 333.520 2.321 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089831725 777326423 /nfs/dbraw/zinc/32/64/23/777326423.db2.gz OIXCRWZIBAWZHW-RDGPPVDQSA-N 2 0 343.515 2.360 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001089831727 777326565 /nfs/dbraw/zinc/32/65/65/777326565.db2.gz OIXCRWZIBAWZHW-VJANTYMQSA-N 2 0 343.515 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC000981539894 777624086 /nfs/dbraw/zinc/62/40/86/777624086.db2.gz ANHCFXPVWVEYRL-MOPGFXCFSA-N 2 0 331.504 2.149 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847742 777907060 /nfs/dbraw/zinc/90/70/60/777907060.db2.gz XKPGGMOLKYYABI-MANSERQUSA-N 2 0 343.515 2.053 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813833 778240254 /nfs/dbraw/zinc/24/02/54/778240254.db2.gz RXPRLKDIOLIWEL-LJQANCHMSA-N 2 0 343.515 2.341 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001127689962 779358237 /nfs/dbraw/zinc/35/82/37/779358237.db2.gz DIWJQJCFGNTEQX-ZWKOTPCHSA-N 2 0 347.890 2.128 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982298773 779623924 /nfs/dbraw/zinc/62/39/24/779623924.db2.gz MUPPSGQPXDPTTF-SESVDKBCSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@]2(C)C1 ZINC000982332776 779751391 /nfs/dbraw/zinc/75/13/91/779751391.db2.gz NMVWMNYNJSISML-NRSPTQNISA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087459920 780926628 /nfs/dbraw/zinc/92/66/28/780926628.db2.gz FIYQICUZEYUEEJ-QXAKKESOSA-N 2 0 345.462 2.238 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CCC[NH+](C)C ZINC001135315507 783598084 /nfs/dbraw/zinc/59/80/84/783598084.db2.gz PBAHXXHGFZTMCY-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035227129 784114564 /nfs/dbraw/zinc/11/45/64/784114564.db2.gz OMHMCMOSHZKKBM-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243956 784175248 /nfs/dbraw/zinc/17/52/48/784175248.db2.gz FMZHYLCURZZJPC-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244897 784179253 /nfs/dbraw/zinc/17/92/53/784179253.db2.gz WHRDMFWNMZSTLO-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135742919 784349694 /nfs/dbraw/zinc/34/96/94/784349694.db2.gz AWIGWLDJMPPNPS-MSOLQXFVSA-N 2 0 329.488 2.253 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035395432 784439577 /nfs/dbraw/zinc/43/95/77/784439577.db2.gz WNPNRSLBBIFUOY-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135857554 784638791 /nfs/dbraw/zinc/63/87/91/784638791.db2.gz KDKUSODTAOXZON-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705521 784986778 /nfs/dbraw/zinc/98/67/78/784986778.db2.gz DYWGJIQIRTVVEB-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CC[C@@H](C)F)C3)CC2)CC1 ZINC001035856063 785295533 /nfs/dbraw/zinc/29/55/33/785295533.db2.gz GGUOGMUURPLAKN-QGZVFWFLSA-N 2 0 349.494 2.004 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1cccnc1)N(C)C)CC2 ZINC001035856907 785297382 /nfs/dbraw/zinc/29/73/82/785297382.db2.gz FLYVGBQJCVHWJY-GOSISDBHSA-N 2 0 342.487 2.185 20 30 EEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001036193349 785964303 /nfs/dbraw/zinc/96/43/03/785964303.db2.gz MLPPNPDFZRTRFN-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CC(C)C3)C(C)(C)C2)CC1 ZINC000996665317 787056786 /nfs/dbraw/zinc/05/67/86/787056786.db2.gz AZYRPIJCBZUBCH-TVPLGVNVSA-N 2 0 345.531 2.204 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996711711 787235078 /nfs/dbraw/zinc/23/50/78/787235078.db2.gz KOROLKSJMWHHKV-HZPDHXFCSA-N 2 0 325.884 2.336 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831207 788320911 /nfs/dbraw/zinc/32/09/11/788320911.db2.gz NIMNMQJUOZWITG-KDURUIRLSA-N 2 0 333.520 2.465 20 30 EEEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000157051300 789456456 /nfs/dbraw/zinc/45/64/56/789456456.db2.gz RLWJZCXKODNMDT-UGSOOPFHSA-N 2 0 335.496 2.467 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997384885 789876280 /nfs/dbraw/zinc/87/62/80/789876280.db2.gz AMBPPTNXPMMEJY-QGZVFWFLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114470 790136931 /nfs/dbraw/zinc/13/69/31/790136931.db2.gz RWYJLXXRLYEPGD-KFWWJZLASA-N 2 0 347.425 2.272 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC000998270846 792412930 /nfs/dbraw/zinc/41/29/30/792412930.db2.gz VOSCMBXPRRGACW-UONOGXRCSA-N 2 0 347.425 2.416 20 30 EEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C(F)(F)F ZINC000998309013 792526031 /nfs/dbraw/zinc/52/60/31/792526031.db2.gz BTZUKMMWSFWQGI-CABCVRRESA-N 2 0 347.425 2.417 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807493 793279906 /nfs/dbraw/zinc/27/99/06/793279906.db2.gz GQWNWWFOWNRCOV-UZLBHIALSA-N 2 0 336.439 2.060 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992421981 794045587 /nfs/dbraw/zinc/04/55/87/794045587.db2.gz YVSYVYDTMASJES-BFYDXBDKSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC000992512356 794463790 /nfs/dbraw/zinc/46/37/90/794463790.db2.gz RXXFRXCQTZGPKI-TZIWHRDSSA-N 2 0 343.515 2.245 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999481107 794532064 /nfs/dbraw/zinc/53/20/64/794532064.db2.gz ARYXQTSTLSCRTA-OAHLLOKOSA-N 2 0 325.884 2.196 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227112 796678227 /nfs/dbraw/zinc/67/82/27/796678227.db2.gz QPZWSTNPDMGONO-FGTMMUONSA-N 2 0 347.890 2.275 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078777722 796974732 /nfs/dbraw/zinc/97/47/32/796974732.db2.gz WPFAURWDXMMNJA-ZWKOTPCHSA-N 2 0 331.504 2.311 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078822847 797076297 /nfs/dbraw/zinc/07/62/97/797076297.db2.gz FORFGGGHYOQNNX-ROUUACIJSA-N 2 0 343.471 2.385 20 30 EEEDRP C=CCN1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001108039613 797126885 /nfs/dbraw/zinc/12/68/85/797126885.db2.gz DBKZSTPGRIRFHU-LJQANCHMSA-N 2 0 337.508 2.033 20 30 EEEDRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972042 797177082 /nfs/dbraw/zinc/17/70/82/797177082.db2.gz VXOMEJQWQOIEIR-XHSDSOJGSA-N 2 0 336.480 2.352 20 30 EEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262153 798058832 /nfs/dbraw/zinc/05/88/32/798058832.db2.gz CDDCUFRSTLFFMQ-QFBILLFUSA-N 2 0 339.499 2.487 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501163 798107392 /nfs/dbraw/zinc/10/73/92/798107392.db2.gz SEPPHIMQSKNYNR-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176758423 798570744 /nfs/dbraw/zinc/57/07/44/798570744.db2.gz BKDOOZRVIBGMTE-ZWKOTPCHSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958260 798578034 /nfs/dbraw/zinc/57/80/34/798578034.db2.gz RZGHZIZWWMQFFO-QRVBRYPASA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCCC(F)(F)F)CC1 ZINC001176926364 798631111 /nfs/dbraw/zinc/63/11/11/798631111.db2.gz KCCOKMQNESVGPP-UHFFFAOYSA-N 2 0 347.425 2.160 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585608 806695427 /nfs/dbraw/zinc/69/54/27/806695427.db2.gz IEKQHOUSNRPYFX-ZJOUEHCJSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179591269 799997906 /nfs/dbraw/zinc/99/79/06/799997906.db2.gz RZQXBWFVJRBUIF-UHFFFAOYSA-N 2 0 329.488 2.304 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182614672 801278947 /nfs/dbraw/zinc/27/89/47/801278947.db2.gz MOXPVIHOKHUPMB-CKEIUWERSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004455732 802114562 /nfs/dbraw/zinc/11/45/62/802114562.db2.gz ABTJMHCTLHEWEO-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086122563 802222994 /nfs/dbraw/zinc/22/29/94/802222994.db2.gz QCYIHHWJFHRVIG-AYOQOUSVSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001185119538 802358700 /nfs/dbraw/zinc/35/87/00/802358700.db2.gz FYHYNVIIVGXYFO-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001113093030 808103620 /nfs/dbraw/zinc/10/36/20/808103620.db2.gz XGRKALZZRYONQL-MRXNPFEDSA-N 2 0 339.443 2.380 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086659098 812429297 /nfs/dbraw/zinc/42/92/97/812429297.db2.gz KGTRKEPQPNGLTI-OTWHNJEPSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001439711686 1092671526 /nfs/dbraw/zinc/67/15/26/1092671526.db2.gz YKDIJXPGGDTYEP-UHFFFAOYSA-N 2 0 327.900 2.395 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937063 1096130611 /nfs/dbraw/zinc/13/06/11/1096130611.db2.gz RRGDGEYTAZWNKK-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1C#N ZINC000191580742 239196852 /nfs/dbraw/zinc/19/68/52/239196852.db2.gz LOOQWMYXRDZIMA-IBGZPJMESA-N 2 0 338.455 2.143 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000491724703 246127333 /nfs/dbraw/zinc/12/73/33/246127333.db2.gz GUYLJGLSEYPOSB-UHFFFAOYSA-N 2 0 327.428 2.179 20 30 EEEDRP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)cc(C#N)c1[N+](=O)[O-] ZINC000091461669 218009959 /nfs/dbraw/zinc/00/99/59/218009959.db2.gz YRNFQSPSWJKAEW-UHFFFAOYSA-N 2 0 348.451 2.194 20 30 EEEDRP CNC(=O)[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000328596906 258042414 /nfs/dbraw/zinc/04/24/14/258042414.db2.gz BKVCUBRSJKVDNQ-SFHVURJKSA-N 2 0 331.460 2.460 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccccc1C#N ZINC000170908144 266143931 /nfs/dbraw/zinc/14/39/31/266143931.db2.gz DYFXMNGKIZNOLT-QGZVFWFLSA-N 2 0 345.516 2.180 20 30 EEEDRP C[C@@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000537296602 318015555 /nfs/dbraw/zinc/01/55/55/318015555.db2.gz UWIJYCHWCZNZPY-QGZVFWFLSA-N 2 0 326.488 2.454 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000521029614 468283938 /nfs/dbraw/zinc/28/39/38/468283938.db2.gz ITTCVDUYRSFJLG-IBGZPJMESA-N 2 0 332.488 2.476 20 30 EEEDRP CN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C1(C#N)CCCCC1 ZINC000056522741 463407294 /nfs/dbraw/zinc/40/72/94/463407294.db2.gz BPMCTNRZXFPZRT-UHFFFAOYSA-N 2 0 334.508 2.335 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC000043330132 463636817 /nfs/dbraw/zinc/63/68/17/463636817.db2.gz YBJLIDFQUYZEEY-UHFFFAOYSA-N 2 0 331.464 2.296 20 30 EEEDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000579582276 468378866 /nfs/dbraw/zinc/37/88/66/468378866.db2.gz SYNNVEQUFPDDBA-WMZOPIPTSA-N 2 0 331.460 2.010 20 30 EEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000185876251 463897162 /nfs/dbraw/zinc/89/71/62/463897162.db2.gz DLWPWZPXPPMNEN-SFHVURJKSA-N 2 0 343.519 2.152 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000171721700 463913703 /nfs/dbraw/zinc/91/37/03/463913703.db2.gz RAZIPGWZIFARDL-LPHOPBHVSA-N 2 0 336.524 2.447 20 30 EEEDRP C[C@@H](CC[NH+](C)C)Nc1ccc(C#N)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000277510758 463919014 /nfs/dbraw/zinc/91/90/14/463919014.db2.gz ACPHCYFQKMUYEE-GJZGRUSLSA-N 2 0 332.496 2.457 20 30 EEEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000262849899 464049259 /nfs/dbraw/zinc/04/92/59/464049259.db2.gz SFVZUOFWJHMAAU-NVXWUHKLSA-N 2 0 328.460 2.431 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000579704451 468398615 /nfs/dbraw/zinc/39/86/15/468398615.db2.gz ACDBFRKHWJRJGX-VQIMIIECSA-N 2 0 330.472 2.395 20 30 EEEDRP N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](Oc4ccncc4)C3)C2=O)cc1 ZINC000568960109 468411661 /nfs/dbraw/zinc/41/16/61/468411661.db2.gz CXZMOBCZYAGSRL-RTBURBONSA-N 2 0 348.406 2.212 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000361431450 465990716 /nfs/dbraw/zinc/99/07/16/465990716.db2.gz DSLYWVPFBGVTRW-DLBZAZTESA-N 2 0 334.508 2.285 20 30 EEEDRP C[C@H](CCCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418715848 467149294 /nfs/dbraw/zinc/14/92/94/467149294.db2.gz YTDUAIVFRGLUAC-MRXNPFEDSA-N 2 0 345.491 2.149 20 30 EEEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600724794 468637612 /nfs/dbraw/zinc/63/76/12/468637612.db2.gz OQOYDCRDEGRXAN-GOSISDBHSA-N 2 0 331.460 2.010 20 30 EEEDRP N#CCCN1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000601315140 468823544 /nfs/dbraw/zinc/82/35/44/468823544.db2.gz FSFJIUFAHHGLDH-UHFFFAOYSA-N 2 0 326.488 2.225 20 30 EEEDRP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C#N ZINC000599301774 469200762 /nfs/dbraw/zinc/20/07/62/469200762.db2.gz ABXAJFZWPWJWGH-HXUWFJFHSA-N 2 0 326.488 2.467 20 30 EEEDRP N#CC1(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCCCC1 ZINC000602602080 469379938 /nfs/dbraw/zinc/37/99/38/469379938.db2.gz NJOPJBLHNRHJBL-UHFFFAOYSA-N 2 0 327.432 2.294 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103092078 526918993 /nfs/dbraw/zinc/91/89/93/526918993.db2.gz ZSYWIYOJDQXCCE-LJQANCHMSA-N 2 0 345.531 2.446 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1CC)CCO2 ZINC000949250909 674624795 /nfs/dbraw/zinc/62/47/95/674624795.db2.gz CXWUMVGBTANSNV-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC001021089215 675715692 /nfs/dbraw/zinc/71/56/92/675715692.db2.gz BGCZHTSYIZYCBS-IYARVYRRSA-N 2 0 345.512 2.139 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC(CC)CC)C2)CC1 ZINC000970919357 676241515 /nfs/dbraw/zinc/24/15/15/676241515.db2.gz BXVKVIHPMSFAAI-MRXNPFEDSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716986 676375931 /nfs/dbraw/zinc/37/59/31/676375931.db2.gz NCQMVYPOXNRJQM-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022166353 676713556 /nfs/dbraw/zinc/71/35/56/676713556.db2.gz UQXWAZWIPIQTPF-CEXWTWQISA-N 2 0 340.471 2.169 20 30 EEEDRP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688570 676738686 /nfs/dbraw/zinc/73/86/86/676738686.db2.gz YDCHBPGPJSAXDC-IBGZPJMESA-N 2 0 340.471 2.075 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971703250 676747777 /nfs/dbraw/zinc/74/77/77/676747777.db2.gz BKIOZQFRXVLJDY-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023695674 679486260 /nfs/dbraw/zinc/48/62/60/679486260.db2.gz FBORZTMHSMJBMJ-MOPGFXCFSA-N 2 0 333.520 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001024366755 679883738 /nfs/dbraw/zinc/88/37/38/679883738.db2.gz VFOYBOAARHEBJJ-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984800806 685276309 /nfs/dbraw/zinc/27/63/09/685276309.db2.gz TTWWLEJGASPMTR-KKUMJFAQSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642582 681950829 /nfs/dbraw/zinc/95/08/29/681950829.db2.gz RRIHLZPJMNUALH-IZZBFERCSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802201 682258921 /nfs/dbraw/zinc/25/89/21/682258921.db2.gz KGBYVARPALZOHT-SFHVURJKSA-N 2 0 329.488 2.419 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025241450 682300789 /nfs/dbraw/zinc/30/07/89/682300789.db2.gz XNVGQBOGCOBXPX-MSOLQXFVSA-N 2 0 331.504 2.340 20 30 EEEDRP CC[NH+]=C(NCCC1CC[NH+](CC)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262023276 682879273 /nfs/dbraw/zinc/87/92/73/682879273.db2.gz ZGSYRLCHBGMLSM-LJQANCHMSA-N 2 0 336.524 2.186 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000892851250 683135051 /nfs/dbraw/zinc/13/50/51/683135051.db2.gz FOVYFWFXYPCZLA-UHFFFAOYSA-N 2 0 334.508 2.343 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025630731 683168626 /nfs/dbraw/zinc/16/86/26/683168626.db2.gz VKHULFCFKQSWDM-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000992704635 683283110 /nfs/dbraw/zinc/28/31/10/683283110.db2.gz CHTJSYCYXONFOL-DJIMGWMZSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001026428823 684634461 /nfs/dbraw/zinc/63/44/61/684634461.db2.gz NMLKFFCNUNDEMQ-GVDBMIGSSA-N 2 0 339.911 2.442 20 30 EEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001026505265 684701136 /nfs/dbraw/zinc/70/11/36/684701136.db2.gz WHTTUABVVPABJD-FAFZWHIHSA-N 2 0 349.519 2.223 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001026522096 684716910 /nfs/dbraw/zinc/71/69/10/684716910.db2.gz OJSYMERAKLSOEV-UHFFFAOYSA-N 2 0 325.884 2.384 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511703 684805133 /nfs/dbraw/zinc/80/51/33/684805133.db2.gz YCGRWBWOTXBHOL-YJBOKZPZSA-N 2 0 325.472 2.356 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680802 693938394 /nfs/dbraw/zinc/93/83/94/693938394.db2.gz JQFMOERRLQNAJS-IBGZPJMESA-N 2 0 340.471 2.077 20 30 EEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435666 686716042 /nfs/dbraw/zinc/71/60/42/686716042.db2.gz MDLUIYQJNUXAAE-QGZVFWFLSA-N 2 0 331.504 2.197 20 30 EEEDRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)CC1 ZINC000303772599 686898667 /nfs/dbraw/zinc/89/86/67/686898667.db2.gz DSWPIOVCMPNDTB-UHFFFAOYSA-N 2 0 330.476 2.065 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986353850 688503993 /nfs/dbraw/zinc/50/39/93/688503993.db2.gz JPKAMCJKXMMZKD-DNVCBOLYSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCc3sccc3C2)C1 ZINC000989827022 692370026 /nfs/dbraw/zinc/37/00/26/692370026.db2.gz XDBNMVZGLSDCAB-HOCLYGCPSA-N 2 0 333.501 2.261 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C[C@@H]2C)CC1 ZINC000989829051 692371916 /nfs/dbraw/zinc/37/19/16/692371916.db2.gz NMRNOLLGXNITKX-FXAWDEMLSA-N 2 0 339.483 2.111 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977335675 692478209 /nfs/dbraw/zinc/47/82/09/692478209.db2.gz MYIQKHGUPPWTKK-GOSISDBHSA-N 2 0 327.472 2.212 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001480920746 1178356651 /nfs/dbraw/zinc/35/66/51/1178356651.db2.gz XDZVBOHKJPTIEH-LJQANCHMSA-N 2 0 342.487 2.369 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1)[NH+](C)C ZINC001482229673 1184358398 /nfs/dbraw/zinc/35/83/98/1184358398.db2.gz FAPZGFSBLSUNRI-SFHVURJKSA-N 2 0 342.487 2.417 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001486211352 1193751778 /nfs/dbraw/zinc/75/17/78/1193751778.db2.gz VPFOEAGREZSEHO-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001034046017 1195698351 /nfs/dbraw/zinc/69/83/51/1195698351.db2.gz OLTNSSWMGNWIOF-LJQANCHMSA-N 2 0 331.504 2.221 20 30 EEEDRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001168754885 1196225225 /nfs/dbraw/zinc/22/52/25/1196225225.db2.gz DBSIOADYFXECPF-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538892 1196362398 /nfs/dbraw/zinc/36/23/98/1196362398.db2.gz VOMWAABGPYFEMO-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001034612008 1196435287 /nfs/dbraw/zinc/43/52/87/1196435287.db2.gz OGQNTGBIGWLISA-CKEIUWERSA-N 2 0 346.500 2.231 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001034764339 1196695119 /nfs/dbraw/zinc/69/51/19/1196695119.db2.gz WJSLGDJBKQTWNT-WKILWMFISA-N 2 0 327.900 2.488 20 30 EEEDRP C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000810300311 1199408148 /nfs/dbraw/zinc/40/81/48/1199408148.db2.gz QRUSTGWGHNZCPB-HXUWFJFHSA-N 2 0 341.499 2.085 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133249558 1200640245 /nfs/dbraw/zinc/64/02/45/1200640245.db2.gz GXDXEHXIBGNPKQ-XLIONFOSSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133359594 1200771262 /nfs/dbraw/zinc/77/12/62/1200771262.db2.gz IFFGWOBCRNQYSB-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133404077 1200866625 /nfs/dbraw/zinc/86/66/25/1200866625.db2.gz WQKLHWHZLYUGIC-YJBOKZPZSA-N 2 0 347.890 2.089 20 30 EEEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])NCC(C)C)CC2)c1 ZINC000104170814 1204612594 /nfs/dbraw/zinc/61/25/94/1204612594.db2.gz NCFFVSHFMRVLDV-UHFFFAOYSA-N 2 0 345.535 2.458 20 30 EEEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)nc1 ZINC001275032165 1205239172 /nfs/dbraw/zinc/23/91/72/1205239172.db2.gz IKKREPKYRKWVFV-HDICACEKSA-N 2 0 336.443 2.020 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417294 1205719107 /nfs/dbraw/zinc/71/91/07/1205719107.db2.gz MHXWSUXENMTBPP-RNQOJCNYSA-N 2 0 343.515 2.386 20 30 EEEDRP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)c(C#N)c(F)c1 ZINC001276117988 1205782193 /nfs/dbraw/zinc/78/21/93/1205782193.db2.gz IJVSUSCYXRWLPA-ROUUACIJSA-N 2 0 334.414 2.047 20 30 EEEDRP N#Cc1ccc(NCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893033 1206164675 /nfs/dbraw/zinc/16/46/75/1206164675.db2.gz JVVLXSGFHARTHH-FXAWDEMLSA-N 2 0 349.438 2.211 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056885 1208847387 /nfs/dbraw/zinc/84/73/87/1208847387.db2.gz NKEPJYHPBIYIFS-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(C)C)cc1 ZINC000303891718 1213921100 /nfs/dbraw/zinc/92/11/00/1213921100.db2.gz NHCJTIGZFAYMGU-KRWDZBQOSA-N 2 0 332.492 2.405 20 30 EEEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000960333407 1216500400 /nfs/dbraw/zinc/50/04/00/1216500400.db2.gz JYSYIWGRSUSEOU-NHCUHLMSSA-N 2 0 347.462 2.367 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292525 1217131843 /nfs/dbraw/zinc/13/18/43/1217131843.db2.gz JQFXRFVZGDWJBF-UXHICEINSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961367008 1217160464 /nfs/dbraw/zinc/16/04/64/1217160464.db2.gz KPXXAOQIIBKHFC-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961439175 1217190456 /nfs/dbraw/zinc/19/04/56/1217190456.db2.gz FTYRAUCKKCASHJ-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963326918 1217522019 /nfs/dbraw/zinc/52/20/19/1217522019.db2.gz ZSAUSUGOGLDWOP-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360168 1217555042 /nfs/dbraw/zinc/55/50/42/1217555042.db2.gz KZWRCGOXCNPPKT-RBUKOAKNSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001016826309 1226907672 /nfs/dbraw/zinc/90/76/72/1226907672.db2.gz ORXMDRGNPHUOHN-ZFWWWQNUSA-N 2 0 325.884 2.051 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019664718 1229240402 /nfs/dbraw/zinc/24/04/02/1229240402.db2.gz MEJGJYMTBDDULC-KRWDZBQOSA-N 2 0 349.438 2.024 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001020250889 1229583194 /nfs/dbraw/zinc/58/31/94/1229583194.db2.gz VULWPBRKUSUMFK-BQFCYCMXSA-N 2 0 345.874 2.174 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039138402 1230352200 /nfs/dbraw/zinc/35/22/00/1230352200.db2.gz QCCFXENOOBFHFN-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165247 1230387201 /nfs/dbraw/zinc/38/72/01/1230387201.db2.gz LDPRCTKVEVECQG-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180493 1230407073 /nfs/dbraw/zinc/40/70/73/1230407073.db2.gz QYFARKAKPGHTIF-GOSISDBHSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235857 1230469159 /nfs/dbraw/zinc/46/91/59/1230469159.db2.gz RTYNXDDEAAMTNB-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586076 1231609813 /nfs/dbraw/zinc/60/98/13/1231609813.db2.gz HVXYJRQDEPNMLT-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677382 1231647014 /nfs/dbraw/zinc/64/70/14/1231647014.db2.gz BJOHAHIUYRDQNQ-RBUKOAKNSA-N 2 0 337.483 2.309 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365009 1232047688 /nfs/dbraw/zinc/04/76/88/1232047688.db2.gz ICOOADUQSUKFOI-ICSRJNTNSA-N 2 0 339.483 2.308 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001045090108 1233495825 /nfs/dbraw/zinc/49/58/25/1233495825.db2.gz UCJPSAAJNGDDCZ-XJKSGUPXSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045939445 1234194652 /nfs/dbraw/zinc/19/46/52/1234194652.db2.gz BGXGDCVIEMDNJX-FPOVZHCZSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3nc[nH]c31)C2 ZINC001045965838 1234244068 /nfs/dbraw/zinc/24/40/68/1234244068.db2.gz LXUNIEKZJVVTIQ-OXJNMPFZSA-N 2 0 340.471 2.167 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976837 1234263528 /nfs/dbraw/zinc/26/35/28/1234263528.db2.gz LNYDOADIXADALK-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985808 1234281396 /nfs/dbraw/zinc/28/13/96/1234281396.db2.gz CRBICHQOAHCSMM-FQEVSTJZSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001047244670 1235736204 /nfs/dbraw/zinc/73/62/04/1235736204.db2.gz UJHXJCWJTYCCDJ-SFHVURJKSA-N 2 0 342.487 2.316 20 30 EEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048557414 1237959162 /nfs/dbraw/zinc/95/91/62/1237959162.db2.gz NMAUNXUJORWPML-YSTOQKLRSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001005470 1241429773 /nfs/dbraw/zinc/42/97/73/1241429773.db2.gz BHAARISPNBOWAK-HOTGVXAUSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180719 1241780247 /nfs/dbraw/zinc/78/02/47/1241780247.db2.gz GZPAJFYTDSLRCU-UXHICEINSA-N 2 0 339.483 2.266 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049719911 1241987677 /nfs/dbraw/zinc/98/76/77/1241987677.db2.gz PINVTAFRDWZQJO-FRQCXROJSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049842515 1242384465 /nfs/dbraw/zinc/38/44/65/1242384465.db2.gz LSXQQYMDPXYLDM-VQTJNVASSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609148 1242802039 /nfs/dbraw/zinc/80/20/39/1242802039.db2.gz KJIFJTWFSFEVKX-NEWSRXKRSA-N 2 0 325.456 2.107 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643774 1244017676 /nfs/dbraw/zinc/01/76/76/1244017676.db2.gz OVKMHETWWRZYBI-UHFFFAOYSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786786 1244981668 /nfs/dbraw/zinc/98/16/68/1244981668.db2.gz BSOILSNKLQHERR-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857832 1245396845 /nfs/dbraw/zinc/39/68/45/1245396845.db2.gz VIVNQVSBTIRIEQ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051192 1245773389 /nfs/dbraw/zinc/77/33/89/1245773389.db2.gz KSLCYKVSXCZHBA-RTBURBONSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)O2 ZINC001053601144 1246515582 /nfs/dbraw/zinc/51/55/82/1246515582.db2.gz BOJMFPUTWMGJIK-FGTMMUONSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646708 1246583880 /nfs/dbraw/zinc/58/38/80/1246583880.db2.gz CRPGBKVRVFWQEB-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001071062039 1253932525 /nfs/dbraw/zinc/93/25/25/1253932525.db2.gz HATPFLRKZONWMS-QUCCMNQESA-N 2 0 349.519 2.033 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001074877960 1257186826 /nfs/dbraw/zinc/18/68/26/1257186826.db2.gz TYLKKVPPZALKRX-GJYPPUQNSA-N 2 0 340.471 2.122 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100890042 1259399231 /nfs/dbraw/zinc/39/92/31/1259399231.db2.gz IZMVERJWUXAVNE-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203288782 1281304699 /nfs/dbraw/zinc/30/46/99/1281304699.db2.gz WSHWYFHQLTXAPF-HXUWFJFHSA-N 2 0 327.472 2.067 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)CCC=C)C2)CC1 ZINC001194245552 1282955782 /nfs/dbraw/zinc/95/57/82/1282955782.db2.gz CBJVBBCJNXLMRN-MJGOQNOKSA-N 2 0 331.504 2.219 20 30 EEEDRP C#Cc1cccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001273800808 1285990047 /nfs/dbraw/zinc/99/00/47/1285990047.db2.gz WNEFJNIYYKUKSP-NRFANRHFSA-N 2 0 339.483 2.187 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001211233351 1295772315 /nfs/dbraw/zinc/77/23/15/1295772315.db2.gz CAXBMMMVBDKYHL-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211241371 1295776144 /nfs/dbraw/zinc/77/61/44/1295776144.db2.gz SYMRCXTVWPVYIG-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001216837714 1297309825 /nfs/dbraw/zinc/30/98/25/1297309825.db2.gz ONOVDKQUWNJULP-ZHALLVOQSA-N 2 0 331.504 2.123 20 30 EEEDRP CC1(C)C[N@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC001217831036 1297518269 /nfs/dbraw/zinc/51/82/69/1297518269.db2.gz IRBXIEDEEHUZDF-CMKODMSKSA-N 2 0 343.471 2.184 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219754504 1298135005 /nfs/dbraw/zinc/13/50/05/1298135005.db2.gz SIEPGNSNVCKHFJ-CFLQYTFWSA-N 2 0 325.456 2.081 20 30 EEEDRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643711 1298488587 /nfs/dbraw/zinc/48/85/87/1298488587.db2.gz PPPJYLJYPZSDOW-SJLPKXTDSA-N 2 0 340.471 2.049 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220868615 1298566814 /nfs/dbraw/zinc/56/68/14/1298566814.db2.gz MDOJSOJTNMWWIL-GBESFXJTSA-N 2 0 327.472 2.494 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662525 1298978909 /nfs/dbraw/zinc/97/89/09/1298978909.db2.gz QLHLGOXTFUNBBI-IEBWSBKVSA-N 2 0 342.487 2.407 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548498 1299209916 /nfs/dbraw/zinc/20/99/16/1299209916.db2.gz WLAZITCKHFITIC-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001224911705 1300778671 /nfs/dbraw/zinc/77/86/71/1300778671.db2.gz SMWZZTQHOLAUKP-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376929 1300956788 /nfs/dbraw/zinc/95/67/88/1300956788.db2.gz DNAUVFRLGBLSTI-UYAOXDASSA-N 2 0 343.515 2.421 20 30 EEEDRP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277238778 1301958538 /nfs/dbraw/zinc/95/85/38/1301958538.db2.gz IAUKYPVJZRXJOU-PMACEKPBSA-N 2 0 326.488 2.331 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001228053353 1302075992 /nfs/dbraw/zinc/07/59/92/1302075992.db2.gz DVEZMMJCBLDVLV-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001228668751 1302369866 /nfs/dbraw/zinc/36/98/66/1302369866.db2.gz FNKUUNVGUCEJLJ-RCCFBDPRSA-N 2 0 337.508 2.080 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503087 1302821379 /nfs/dbraw/zinc/82/13/79/1302821379.db2.gz DSDFERKSFDGHCK-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)CC)CC1 ZINC001230251900 1303128554 /nfs/dbraw/zinc/12/85/54/1303128554.db2.gz PKVBILKGFPMFQQ-QXAKKESOSA-N 2 0 333.520 2.395 20 30 EEEDRP C=CCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccnc1 ZINC001230906803 1303539219 /nfs/dbraw/zinc/53/92/19/1303539219.db2.gz VKZOSAYPSBSOBL-UHFFFAOYSA-N 2 0 342.487 2.062 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116092 1304254432 /nfs/dbraw/zinc/25/44/32/1304254432.db2.gz JQHCXVIWLNTKIZ-HUUCEWRRSA-N 2 0 347.425 2.416 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154613 1304282961 /nfs/dbraw/zinc/28/29/61/1304282961.db2.gz USOIFLGPSLLWGK-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)ccc1C#N ZINC001278034139 1305750018 /nfs/dbraw/zinc/75/00/18/1305750018.db2.gz PEEHRVJJTBZISO-BGYRXZFFSA-N 2 0 326.488 2.331 20 30 EEEDRP CCc1cc(CN(CCC[NH+](C)C)CCC(=O)OC)ccc1C#N ZINC001238773639 1308951679 /nfs/dbraw/zinc/95/16/79/1308951679.db2.gz CGEPWMQNCPPOJY-UHFFFAOYSA-N 2 0 331.460 2.437 20 30 EEEDRP CCCCCCCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239361469 1309087997 /nfs/dbraw/zinc/08/79/97/1309087997.db2.gz FUEDTSKRACEZST-OAHLLOKOSA-N 2 0 326.554 2.295 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)cc1F ZINC001151361728 1316512572 /nfs/dbraw/zinc/51/25/72/1316512572.db2.gz PCJMKBRHWYWGMU-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+]1CCCC1 ZINC001152470469 1316676222 /nfs/dbraw/zinc/67/62/22/1316676222.db2.gz BOEQAGITJZYXKN-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374511 1317985002 /nfs/dbraw/zinc/98/50/02/1317985002.db2.gz QWHCMZMMMZERLI-HUUCEWRRSA-N 2 0 348.516 2.288 20 30 EEEDRP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256904761 1318891954 /nfs/dbraw/zinc/89/19/54/1318891954.db2.gz MYCRRZCXSCNLQS-HNNXBMFYSA-N 2 0 349.500 2.202 20 30 EEEDRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001159915247 1320020236 /nfs/dbraw/zinc/02/02/36/1320020236.db2.gz IFHYBCUMLBOGSD-SFHVURJKSA-N 2 0 347.890 2.128 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160290880 1320123985 /nfs/dbraw/zinc/12/39/85/1320123985.db2.gz BLYDECFJIPEJLD-QGZVFWFLSA-N 2 0 325.472 2.381 20 30 EEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415910 1323121227 /nfs/dbraw/zinc/12/12/27/1323121227.db2.gz QIKSQXKWODNYDX-KRWDZBQOSA-N 2 0 327.488 2.461 20 30 EEEDRP N#Cc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)ccc1N1CC[NH2+]CC1 ZINC001205558185 1323194482 /nfs/dbraw/zinc/19/44/82/1323194482.db2.gz NXWQASUSGWYSOS-UHFFFAOYSA-N 2 0 347.466 2.044 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001205572883 1323200784 /nfs/dbraw/zinc/20/07/84/1323200784.db2.gz QELZMFXFPFZVBD-UHOSZYNNSA-N 2 0 345.462 2.380 20 30 EEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207391978 1323955497 /nfs/dbraw/zinc/95/54/97/1323955497.db2.gz SEPFARJGECKZGT-IBGZPJMESA-N 2 0 335.492 2.439 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331273 1324430948 /nfs/dbraw/zinc/43/09/48/1324430948.db2.gz PBNKEYJGQLUTLO-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208604753 1324586097 /nfs/dbraw/zinc/58/60/97/1324586097.db2.gz SZGXIMHUQZRFQU-IEBWSBKVSA-N 2 0 335.492 2.439 20 30 EEEDRP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC(C)(C)C[NH+](C)C)cc1C#N ZINC001276658115 1324989578 /nfs/dbraw/zinc/98/95/78/1324989578.db2.gz HHLHBWRZVMFRDA-OALUTQOASA-N 2 0 343.519 2.133 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209726105 1325022808 /nfs/dbraw/zinc/02/28/08/1325022808.db2.gz VMQPXCFOVNORSB-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP COc1cc(C#N)c(F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267986 1325224516 /nfs/dbraw/zinc/22/45/16/1325224516.db2.gz PVVBSWNHCLXXCC-UHFFFAOYSA-N 2 0 327.363 2.254 20 30 EEEDRP C[NH+](C)CC#CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001313439526 1331803121 /nfs/dbraw/zinc/80/31/21/1331803121.db2.gz MVIAMEPDOZXLEW-UHFFFAOYSA-N 2 0 336.524 2.093 20 30 EEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001332078643 1335721624 /nfs/dbraw/zinc/72/16/24/1335721624.db2.gz ZSNGQLJRLQIOLJ-IRXDYDNUSA-N 2 0 348.878 2.379 20 30 EEEDRP C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001574487022 1343678425 /nfs/dbraw/zinc/67/84/25/1343678425.db2.gz XUJLHHLSXOJLPT-ZACQAIPSSA-N 2 0 344.507 2.035 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121232647 1371865758 /nfs/dbraw/zinc/86/57/58/1371865758.db2.gz HIDVBOYKSBQXHH-UHFFFAOYSA-N 2 0 325.884 2.240 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001366462810 1373907689 /nfs/dbraw/zinc/90/76/89/1373907689.db2.gz IWXKAWDAYBNYSQ-KSSFIOAISA-N 2 0 348.466 2.268 20 30 EEEDRP C[N@H+](CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001367904203 1374302938 /nfs/dbraw/zinc/30/29/38/1374302938.db2.gz SLTCSXRCSHDBPY-IBGZPJMESA-N 2 0 340.471 2.027 20 30 EEEDRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001371175950 1375279976 /nfs/dbraw/zinc/27/99/76/1375279976.db2.gz DLNAMAYRDUELCE-AWEZNQCLSA-N 2 0 348.516 2.479 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001379137700 1380565279 /nfs/dbraw/zinc/56/52/79/1380565279.db2.gz QAGKFSSPXRYWOC-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001379588974 1380769836 /nfs/dbraw/zinc/76/98/36/1380769836.db2.gz TUFAVXIHASSCCC-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001379588976 1380769435 /nfs/dbraw/zinc/76/94/35/1380769435.db2.gz TUFAVXIHASSCCC-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001391352832 1389302603 /nfs/dbraw/zinc/30/26/03/1389302603.db2.gz JHDHSOYGTHDNMP-IBGZPJMESA-N 2 0 342.487 2.180 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001752921204 1406548749 /nfs/dbraw/zinc/54/87/49/1406548749.db2.gz NSMDRUAQHQISRV-UYAOXDASSA-N 2 0 341.499 2.253 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398467727 1392887851 /nfs/dbraw/zinc/88/78/51/1392887851.db2.gz OCNNRRUJKAQBRZ-JKSUJKDBSA-N 2 0 329.916 2.496 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001402188701 1397829578 /nfs/dbraw/zinc/82/95/78/1397829578.db2.gz GNLKQUJKZGJELI-AZUAARDMSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccccc1C#N ZINC001403172723 1398452819 /nfs/dbraw/zinc/45/28/19/1398452819.db2.gz WUNASJAFNDIQCH-MRXNPFEDSA-N 2 0 328.460 2.029 20 30 EEEDRP C=C(CC[NH+](C)C)C(=O)N1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001574850196 1403526707 /nfs/dbraw/zinc/52/67/07/1403526707.db2.gz VSWWVFBDDRHSQL-UHFFFAOYSA-N 2 0 343.471 2.038 20 30 EEEDRP C=CC1(CC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C[NH2+]C1 ZINC001574880146 1403527091 /nfs/dbraw/zinc/52/70/91/1403527091.db2.gz PAUMPTFKFVOIGH-GOSISDBHSA-N 2 0 343.471 2.114 20 30 EEEDRP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001577710969 1403669677 /nfs/dbraw/zinc/66/96/77/1403669677.db2.gz KSSQYAMPUUIPAO-SJLPKXTDSA-N 2 0 334.508 2.368 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001755768663 1407829008 /nfs/dbraw/zinc/82/90/08/1407829008.db2.gz SRUAMHNRYWKYGN-DZGCQCFKSA-N 2 0 347.425 2.273 20 30 EEEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001755901355 1407975954 /nfs/dbraw/zinc/97/59/54/1407975954.db2.gz ONDKPUXPGBHFBB-LJQANCHMSA-N 2 0 345.462 2.429 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942442811 782438053 /nfs/dbraw/zinc/43/80/53/782438053.db2.gz AKYNQNJNEDFXDX-RDJZCZTQSA-N 2 0 339.443 2.284 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595247 762020806 /nfs/dbraw/zinc/02/08/06/762020806.db2.gz MWFAWAAIVHZOCK-HZPDHXFCSA-N 2 0 331.460 2.052 20 30 EEEDRP Cn1cc(CN2CC[C@@H]3C[N@H+](CCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208926268 757242167 /nfs/dbraw/zinc/24/21/67/757242167.db2.gz DGHPFGSRGLGDDJ-NHCUHLMSSA-N 2 0 349.482 2.288 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001112496196 758253544 /nfs/dbraw/zinc/25/35/44/758253544.db2.gz LKVBIMURRFVNTE-HKUYNNGSSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001087249137 761142183 /nfs/dbraw/zinc/14/21/83/761142183.db2.gz KOFHLYNGNUPKMB-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087311618 761586938 /nfs/dbraw/zinc/58/69/38/761586938.db2.gz RESZHEWFABYHOY-GUDVDZBRSA-N 2 0 345.531 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC)C2)CC1 ZINC001105062326 768977648 /nfs/dbraw/zinc/97/76/48/768977648.db2.gz LZVNNXGDDKORAB-NLWGTHIKSA-N 2 0 347.547 2.452 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979712470 770929689 /nfs/dbraw/zinc/92/96/89/770929689.db2.gz MUFBCCJVTXLNPN-FHWLQOOXSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC=C ZINC001089654231 773869357 /nfs/dbraw/zinc/86/93/57/773869357.db2.gz VXOMSNORXAGNKF-MSOLQXFVSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089870019 783166619 /nfs/dbraw/zinc/16/66/19/783166619.db2.gz PLKUETWDIFKYMO-HAGHYFMRSA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098526 783190648 /nfs/dbraw/zinc/19/06/48/783190648.db2.gz UWUXZSFLEJKCNL-AZUAARDMSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725716 774786167 /nfs/dbraw/zinc/78/61/67/774786167.db2.gz KYGZNQJJCACHHV-INIZCTEOSA-N 2 0 342.487 2.391 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089851585 778034075 /nfs/dbraw/zinc/03/40/75/778034075.db2.gz WWWSGCVLIQBYIJ-VJANTYMQSA-N 2 0 331.504 2.073 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052582 779000164 /nfs/dbraw/zinc/00/01/64/779000164.db2.gz QSKLKIVEMYBLAR-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982159264 779198517 /nfs/dbraw/zinc/19/85/17/779198517.db2.gz BNBHXOHJDZTLTF-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001111540064 790718679 /nfs/dbraw/zinc/71/86/79/790718679.db2.gz DAOPLAXBHGVMAB-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519756 780261729 /nfs/dbraw/zinc/26/17/29/780261729.db2.gz KCNMXBVBAZRYIS-YVSFHVDLSA-N 2 0 339.911 2.250 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135307121 783566495 /nfs/dbraw/zinc/56/64/95/783566495.db2.gz ANAROQXPFYSSGA-QWHCGFSZSA-N 2 0 334.302 2.110 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481537 783836886 /nfs/dbraw/zinc/83/68/86/783836886.db2.gz VHZXRYAGLIFTRM-JKSUJKDBSA-N 2 0 327.513 2.040 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC001135477629 783867624 /nfs/dbraw/zinc/86/76/24/783867624.db2.gz LTPQQKFPQQYEON-SFHVURJKSA-N 2 0 330.476 2.130 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035257691 784208676 /nfs/dbraw/zinc/20/86/76/784208676.db2.gz BVGBEGDXHVQNAJ-HNNXBMFYSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035260552 784216490 /nfs/dbraw/zinc/21/64/90/784216490.db2.gz ZMVSUEAGOKYUAG-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035255885 784263237 /nfs/dbraw/zinc/26/32/37/784263237.db2.gz ASGUKOCFVLFNMT-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135858205 784641661 /nfs/dbraw/zinc/64/16/61/784641661.db2.gz UZJOHPGAEVTSPV-UONOGXRCSA-N 2 0 336.505 2.334 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938015 784829278 /nfs/dbraw/zinc/82/92/78/784829278.db2.gz CNMRFUAPOAUWFJ-HOTGVXAUSA-N 2 0 340.471 2.027 20 30 EEEDRP C#C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000820606168 786004864 /nfs/dbraw/zinc/00/48/64/786004864.db2.gz UPBMHLMBMXNDQH-IBGZPJMESA-N 2 0 344.503 2.276 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC1(C)C ZINC000996525272 786500160 /nfs/dbraw/zinc/50/01/60/786500160.db2.gz JPYPTNYDIUWZRS-HNNXBMFYSA-N 2 0 336.867 2.340 20 30 EEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735750 805914614 /nfs/dbraw/zinc/91/46/14/805914614.db2.gz VIMBRTBMVYFLAO-YRXWBPOGSA-N 2 0 349.519 2.175 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923390234 789477334 /nfs/dbraw/zinc/47/73/34/789477334.db2.gz URKHVGISFUERLB-RBUKOAKNSA-N 2 0 343.471 2.010 20 30 EEEDRP C=CCC[C@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000923397302 789493530 /nfs/dbraw/zinc/49/35/30/789493530.db2.gz KWLVQSOSMNTUJV-KRWDZBQOSA-N 2 0 332.492 2.383 20 30 EEEDRP O=C(NCC[NH2+]CC#Cc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC001146458826 791281344 /nfs/dbraw/zinc/28/13/44/791281344.db2.gz QBYMGVLIEXHBRY-UHFFFAOYSA-N 2 0 344.418 2.243 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998271700 792415852 /nfs/dbraw/zinc/41/58/52/792415852.db2.gz YGXTXWKXEVMQSY-ZIAGYGMSSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921380 792986545 /nfs/dbraw/zinc/98/65/45/792986545.db2.gz NYIBGVAQSHHNKV-ROUUACIJSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942629 793035641 /nfs/dbraw/zinc/03/56/41/793035641.db2.gz WZGNYAFUWCPBBZ-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517860 793853258 /nfs/dbraw/zinc/85/32/58/793853258.db2.gz JXGRDVBUEWBMCV-XHSDSOJGSA-N 2 0 325.884 2.004 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311140 794600342 /nfs/dbraw/zinc/60/03/42/794600342.db2.gz QUSSNVQQAWHYRI-VDZJLULYSA-N 2 0 345.462 2.238 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120755 794652757 /nfs/dbraw/zinc/65/27/57/794652757.db2.gz MJFUKUWCFBWUMI-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378844 795115521 /nfs/dbraw/zinc/11/55/21/795115521.db2.gz UWPNXRCZZCHLST-ZWKOTPCHSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001093408090 795146804 /nfs/dbraw/zinc/14/68/04/795146804.db2.gz UDAIMOGVMVLOCZ-ZJRDLVKKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858719 795508401 /nfs/dbraw/zinc/50/84/01/795508401.db2.gz DBQVBSKZJHOZHJ-MOPGFXCFSA-N 2 0 331.504 2.053 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436906 795870915 /nfs/dbraw/zinc/87/09/15/795870915.db2.gz PSYGHKOELNWBFT-KURKYZTESA-N 2 0 341.540 2.358 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(C)C)CC3)CC1 ZINC001094582347 796422748 /nfs/dbraw/zinc/42/27/48/796422748.db2.gz NBURCDUEYVIQAW-TZIWHRDSSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001095065361 797301617 /nfs/dbraw/zinc/30/16/17/797301617.db2.gz FDWNTUBFUGHASQ-ULQDDVLXSA-N 2 0 343.471 2.337 20 30 EEEDRP CCC[N@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421897 797441141 /nfs/dbraw/zinc/44/11/41/797441141.db2.gz GPPOWQHYEWILRW-UHFFFAOYSA-N 2 0 328.460 2.224 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3C[NH3+])CC2)cc1 ZINC001173425397 797445808 /nfs/dbraw/zinc/44/58/08/797445808.db2.gz SUAYVRMYVMFVQS-UHFFFAOYSA-N 2 0 348.450 2.411 20 30 EEEDRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001175218765 798036092 /nfs/dbraw/zinc/03/60/92/798036092.db2.gz WEJOFJKKHKCZTN-ZWKOTPCHSA-N 2 0 339.524 2.021 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)CC1 ZINC001031434704 798402012 /nfs/dbraw/zinc/40/20/12/798402012.db2.gz AYADAIJUAFFQEQ-UHFFFAOYSA-N 2 0 343.515 2.102 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267317 798411736 /nfs/dbraw/zinc/41/17/36/798411736.db2.gz ANJXCQJWRMBLFF-QGZVFWFLSA-N 2 0 327.513 2.186 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176844206 798586076 /nfs/dbraw/zinc/58/60/76/798586076.db2.gz GJHSVGJNLCMWBR-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032923 798625362 /nfs/dbraw/zinc/62/53/62/798625362.db2.gz JDDAXVKGUQLFTP-FUHIMQAGSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001176926870 798631233 /nfs/dbraw/zinc/63/12/33/798631233.db2.gz YKTSYNGHNQXQSF-UHFFFAOYSA-N 2 0 345.531 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CCC[NH2+]CC)CC2CCCC2)CC1 ZINC001177488500 798979085 /nfs/dbraw/zinc/97/90/85/798979085.db2.gz HJLNFGKRGLBCBZ-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112589757 806713093 /nfs/dbraw/zinc/71/30/93/806713093.db2.gz PAVDXGJAMKPFGE-FPOVZHCZSA-N 2 0 345.531 2.494 20 30 EEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707966 799598876 /nfs/dbraw/zinc/59/88/76/799598876.db2.gz PVWARWXRKSANSI-SCTDSRPQSA-N 2 0 331.504 2.243 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001003622917 799901976 /nfs/dbraw/zinc/90/19/76/799901976.db2.gz CKUDPOBNOUCYBT-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001179461614 799935218 /nfs/dbraw/zinc/93/52/18/799935218.db2.gz SNZRSSHRNYCHMB-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561373 799973690 /nfs/dbraw/zinc/97/36/90/799973690.db2.gz HJBDSPHELKBCFN-BZSNNMDCSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199580 800237149 /nfs/dbraw/zinc/23/71/49/800237149.db2.gz SEGQSGLWMJJFTP-BHIYHBOVSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085230309 800266035 /nfs/dbraw/zinc/26/60/35/800266035.db2.gz OSHLRPGGCYQZEY-KURKYZTESA-N 2 0 345.512 2.363 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001180222663 800315099 /nfs/dbraw/zinc/31/50/99/800315099.db2.gz RZVLBDGWAGSQQG-KSSFIOAISA-N 2 0 346.450 2.117 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)s1 ZINC001180274765 800344060 /nfs/dbraw/zinc/34/40/60/800344060.db2.gz VHMMVZPMRBMMDP-UHFFFAOYSA-N 2 0 348.516 2.482 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085422490 800481263 /nfs/dbraw/zinc/48/12/63/800481263.db2.gz VQAMKXGLVPVIOM-GUDVDZBRSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182807850 801356781 /nfs/dbraw/zinc/35/67/81/801356781.db2.gz YWQOLLBIKRGXFW-WSTZPKSXSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081207 801502145 /nfs/dbraw/zinc/50/21/45/801502145.db2.gz FZXPOPKJQAUTND-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592326 801681286 /nfs/dbraw/zinc/68/12/86/801681286.db2.gz HTYDOTWLIMEQCV-YRPNKDGESA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001184692210 802129204 /nfs/dbraw/zinc/12/92/04/802129204.db2.gz FSEQLWNBRNTASW-QZTJIDSGSA-N 2 0 342.487 2.005 20 30 EEEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108258023 802598161 /nfs/dbraw/zinc/59/81/61/802598161.db2.gz OVJXYZSDOSSBJT-PKOBYXMFSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086365174 802832605 /nfs/dbraw/zinc/83/26/05/802832605.db2.gz HNACMYFOXFNTIT-KLHDSHLOSA-N 2 0 325.884 2.098 20 30 EEEDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC#Cc2ccccc2)CC1 ZINC001169941126 804227073 /nfs/dbraw/zinc/22/70/73/804227073.db2.gz LRDHKFAZMJDHCW-UHFFFAOYSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC/C=C\CCC)CC2)CC1 ZINC001113677908 809518676 /nfs/dbraw/zinc/51/86/76/809518676.db2.gz XMMCIJIIYXSLJB-SREVYHEPSA-N 2 0 331.504 2.222 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@H](C)O2 ZINC001131701513 813132635 /nfs/dbraw/zinc/13/26/35/813132635.db2.gz WKMSKBUGPRIXIZ-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001440599679 1093864067 /nfs/dbraw/zinc/86/40/67/1093864067.db2.gz QEPHBBJTPDYSSF-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1c(F)cccc1Cl ZINC000073772772 216422450 /nfs/dbraw/zinc/42/24/50/216422450.db2.gz CHUHAAVGEWFYLN-LBPRGKRZSA-N 2 0 326.847 2.438 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422830943 240251416 /nfs/dbraw/zinc/25/14/16/240251416.db2.gz JAKQHZPRPUGZDG-VNTMZGSJSA-N 2 0 335.536 2.432 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=C)C)CC2)CC1 ZINC000078533171 217070254 /nfs/dbraw/zinc/07/02/54/217070254.db2.gz ZICZYOJOXYWNJZ-UHFFFAOYSA-N 2 0 334.508 2.367 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000491504552 533163511 /nfs/dbraw/zinc/16/35/11/533163511.db2.gz IJYHDQYNJGUUHU-QGZVFWFLSA-N 2 0 327.472 2.290 20 30 EEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000247974900 160334767 /nfs/dbraw/zinc/33/47/67/160334767.db2.gz KNQLAMGSIFHCDI-SJLPKXTDSA-N 2 0 326.444 2.303 20 30 EEEDRP COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N ZINC000564547443 319090637 /nfs/dbraw/zinc/09/06/37/319090637.db2.gz IQZCLRPRSSKYLO-MJGOQNOKSA-N 2 0 329.444 2.285 20 30 EEEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1C ZINC000329017049 465204212 /nfs/dbraw/zinc/20/42/12/465204212.db2.gz QXAQFGONQUFHNK-DOTOQJQBSA-N 2 0 345.491 2.388 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)C(C)C ZINC000355469314 465250779 /nfs/dbraw/zinc/25/07/79/465250779.db2.gz FIGHVESLYOIYHS-QZTJIDSGSA-N 2 0 336.524 2.421 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000047977537 462844180 /nfs/dbraw/zinc/84/41/80/462844180.db2.gz GUIKDWSAWFMSBH-LJQANCHMSA-N 2 0 345.487 2.352 20 30 EEEDRP CC1CC[NH+](CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000137452337 463293069 /nfs/dbraw/zinc/29/30/69/463293069.db2.gz CBQWQNQDPDQKJF-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150783728 463427994 /nfs/dbraw/zinc/42/79/94/463427994.db2.gz LFETYJCGKAQXSF-DOTOQJQBSA-N 2 0 326.444 2.303 20 30 EEEDRP C=CCc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc(OC)c1O ZINC000185863466 463893125 /nfs/dbraw/zinc/89/31/25/463893125.db2.gz NQQKHEIKKHAOBE-MRXNPFEDSA-N 2 0 347.503 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000263665337 464145412 /nfs/dbraw/zinc/14/54/12/464145412.db2.gz DOAQGAQLVZGCGB-GOSISDBHSA-N 2 0 343.471 2.186 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOCc1ccccc1 ZINC000264318450 464294674 /nfs/dbraw/zinc/29/46/74/464294674.db2.gz XAOAMDBZQKZDJC-GOSISDBHSA-N 2 0 332.492 2.372 20 30 EEEDRP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000292895568 464376026 /nfs/dbraw/zinc/37/60/26/464376026.db2.gz VOXGJJMCQRYDNM-PMACEKPBSA-N 2 0 339.483 2.112 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000273324654 464710142 /nfs/dbraw/zinc/71/01/42/464710142.db2.gz HFKWNFTZRSMBKX-HNNXBMFYSA-N 2 0 348.491 2.373 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361431451 465991413 /nfs/dbraw/zinc/99/14/13/465991413.db2.gz DSLYWVPFBGVTRW-IAGOWNOFSA-N 2 0 334.508 2.285 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000518817287 468127974 /nfs/dbraw/zinc/12/79/74/468127974.db2.gz NCSUJMSPNPPCOY-SFHVURJKSA-N 2 0 340.471 2.003 20 30 EEEDRP C[NH+]1CCC(C#N)(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000549989945 468203853 /nfs/dbraw/zinc/20/38/53/468203853.db2.gz DUNCTDLUSNQUKJ-UHFFFAOYSA-N 2 0 340.471 2.390 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000490635307 468228212 /nfs/dbraw/zinc/22/82/12/468228212.db2.gz FTZYTLUQSRCCFQ-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000594441131 468589262 /nfs/dbraw/zinc/58/92/62/468589262.db2.gz NKZSDLXTLXUVDF-GOSISDBHSA-N 2 0 328.460 2.310 20 30 EEEDRP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000595275674 468798779 /nfs/dbraw/zinc/79/87/79/468798779.db2.gz RABUNRPGBXBSGC-GOSISDBHSA-N 2 0 345.491 2.005 20 30 EEEDRP C[C@H](CC#N)NCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862104 469125878 /nfs/dbraw/zinc/12/58/78/469125878.db2.gz LBIMBODHRNIDIM-PBHICJAKSA-N 2 0 348.878 2.485 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000649297077 470535069 /nfs/dbraw/zinc/53/50/69/470535069.db2.gz FTTNTTCRJGOKPQ-CABCVRRESA-N 2 0 329.435 2.046 20 30 EEEDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000447564059 535803783 /nfs/dbraw/zinc/80/37/83/535803783.db2.gz UNJCKZJPDWCNGC-ZWKOTPCHSA-N 2 0 328.460 2.186 20 30 EEEDRP N#CCCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127954 577513604 /nfs/dbraw/zinc/51/36/04/577513604.db2.gz GGQAMJODDTUGTH-RBUKOAKNSA-N 2 0 340.471 2.003 20 30 EEEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021619006 676272735 /nfs/dbraw/zinc/27/27/35/676272735.db2.gz IUSOEHLBKNIWCR-VQIMIIECSA-N 2 0 336.439 2.202 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022166161 676713287 /nfs/dbraw/zinc/71/32/87/676713287.db2.gz NGQNHTQJVXSQBP-CEXWTWQISA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023423532 679300414 /nfs/dbraw/zinc/30/04/14/679300414.db2.gz YRYHCIXFHLAVNR-UXHICEINSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC(C)C2)CC1 ZINC001024813294 681466080 /nfs/dbraw/zinc/46/60/80/681466080.db2.gz YNQLMJCMSFXEMU-QLOJAFMTSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641474 681938118 /nfs/dbraw/zinc/93/81/18/681938118.db2.gz NDVUFBCESKFEBF-BWPNAZKDSA-N 2 0 331.504 2.360 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001025279439 682388721 /nfs/dbraw/zinc/38/87/21/682388721.db2.gz BQLHADYJQVNING-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC000992703021 683280955 /nfs/dbraw/zinc/28/09/55/683280955.db2.gz OMZGKNYSPYTWGS-DJIMGWMZSA-N 2 0 345.512 2.273 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000992729923 683316329 /nfs/dbraw/zinc/31/63/29/683316329.db2.gz PJVMAYPUJPLLON-RCCFBDPRSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC000992815380 683516378 /nfs/dbraw/zinc/51/63/78/683516378.db2.gz MGFGZYPTOPXXMZ-IXDOHACOSA-N 2 0 339.911 2.297 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001026299550 684218790 /nfs/dbraw/zinc/21/87/90/684218790.db2.gz WOVKVTOJKIADKW-RYQLBKOJSA-N 2 0 331.504 2.099 20 30 EEEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000895684226 684686659 /nfs/dbraw/zinc/68/66/59/684686659.db2.gz BMGQNCPBNGQCLO-UHFFFAOYSA-N 2 0 326.448 2.299 20 30 EEEDRP CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262403015 685786138 /nfs/dbraw/zinc/78/61/38/685786138.db2.gz OAKBHXJSVYENNO-KURKYZTESA-N 2 0 346.519 2.246 20 30 EEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699609 694022691 /nfs/dbraw/zinc/02/26/91/694022691.db2.gz GUODZRMWMMKBIR-INIZCTEOSA-N 2 0 331.460 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(CC)CC)CC2)CC1 ZINC000989734996 692230455 /nfs/dbraw/zinc/23/04/55/692230455.db2.gz NLIYDSZHNILBKH-UHFFFAOYSA-N 2 0 333.520 2.302 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040245703 692639713 /nfs/dbraw/zinc/63/97/13/692639713.db2.gz WMDSPLYLJRVGMH-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664067 693170697 /nfs/dbraw/zinc/17/06/97/693170697.db2.gz SSQILJFQKVBRAS-SLYNCCJLSA-N 2 0 343.515 2.387 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943515444 1192325569 /nfs/dbraw/zinc/32/55/69/1192325569.db2.gz GVQHWPZRWNBLKF-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001482693567 1187660845 /nfs/dbraw/zinc/66/08/45/1187660845.db2.gz LDIFICZKAXLTDO-RBUKOAKNSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168353735 1188327142 /nfs/dbraw/zinc/32/71/42/1188327142.db2.gz RXJUUFUVNLDFCW-LJQANCHMSA-N 2 0 341.499 2.356 20 30 EEEDRP C=CCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272699703 1191782121 /nfs/dbraw/zinc/78/21/21/1191782121.db2.gz NAHONZXPPLSVMD-LJQANCHMSA-N 2 0 335.492 2.136 20 30 EEEDRP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128105 1194411486 /nfs/dbraw/zinc/41/14/86/1194411486.db2.gz NKXPAJYNVFDSDP-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034138112 1195810385 /nfs/dbraw/zinc/81/03/85/1195810385.db2.gz NSXFTRPLUXOMAT-YOEHRIQHSA-N 2 0 346.500 2.185 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034403952 1196196388 /nfs/dbraw/zinc/19/63/88/1196196388.db2.gz FILAAGOAGZGZRZ-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CCC3)C2)CC1 ZINC001034538497 1196360927 /nfs/dbraw/zinc/36/09/27/1196360927.db2.gz NDRRNBWVVISVQC-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001132969787 1200238788 /nfs/dbraw/zinc/23/87/88/1200238788.db2.gz ICXVLDPYMCKBLQ-CVEARBPZSA-N 2 0 339.443 2.141 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001133091929 1200433923 /nfs/dbraw/zinc/43/39/23/1200433923.db2.gz WNVJFSFPMMPGAZ-LPHOPBHVSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000871187349 1201091096 /nfs/dbraw/zinc/09/10/96/1201091096.db2.gz CZEAGHGCENWQDH-FQEVSTJZSA-N 2 0 339.483 2.031 20 30 EEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001202559442 1202152671 /nfs/dbraw/zinc/15/26/71/1202152671.db2.gz CWAFVJNYGCDLHH-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP N#Cc1ccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)s1 ZINC001275588439 1205432733 /nfs/dbraw/zinc/43/27/33/1205432733.db2.gz DNDWCWQPTXLSFK-UHFFFAOYSA-N 2 0 341.484 2.414 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095416984 1205717955 /nfs/dbraw/zinc/71/79/55/1205717955.db2.gz BYVYWKKBQFKTMK-RNQOJCNYSA-N 2 0 343.515 2.386 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015230952 1224953045 /nfs/dbraw/zinc/95/30/45/1224953045.db2.gz AXHQEMSONDVXDQ-HNNXBMFYSA-N 2 0 325.416 2.038 20 30 EEEDRP C#CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001006457796 1210248885 /nfs/dbraw/zinc/24/88/85/1210248885.db2.gz ITQICYQBXMCCBU-UHFFFAOYSA-N 2 0 331.460 2.291 20 30 EEEDRP CN1CC[N@H+](CCCNC(=[NH2+])N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303908881 1213924290 /nfs/dbraw/zinc/92/42/90/1213924290.db2.gz XWSAYINWEAJFPC-LJQANCHMSA-N 2 0 343.519 2.166 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1Cl ZINC000305062766 1216138877 /nfs/dbraw/zinc/13/88/77/1216138877.db2.gz KGKACEIZHKKGQL-CJNGLKHVSA-N 2 0 338.883 2.416 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000960309534 1216485179 /nfs/dbraw/zinc/48/51/79/1216485179.db2.gz AIKGBDQOZANVAG-UYAOXDASSA-N 2 0 327.472 2.276 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000968645080 1221460324 /nfs/dbraw/zinc/46/03/24/1221460324.db2.gz MDQOPUBBUVDZRX-MOPGFXCFSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC[C@@H]2C)CC1 ZINC000968681236 1221486931 /nfs/dbraw/zinc/48/69/31/1221486931.db2.gz HXKZIJQRJAFKEW-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073277 1221784405 /nfs/dbraw/zinc/78/44/05/1221784405.db2.gz YTHAARKRLSSONG-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916662 1226968995 /nfs/dbraw/zinc/96/89/95/1226968995.db2.gz UZZVBSXTWSUIJI-LJQANCHMSA-N 2 0 343.515 2.102 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001039131506 1230341014 /nfs/dbraw/zinc/34/10/14/1230341014.db2.gz NXZZYWZOYALSER-RTBURBONSA-N 2 0 331.504 2.075 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001039396475 1230580134 /nfs/dbraw/zinc/58/01/34/1230580134.db2.gz SHWNLHDAMYNQJZ-ZACQAIPSSA-N 2 0 328.460 2.087 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430353 1231227888 /nfs/dbraw/zinc/22/78/88/1231227888.db2.gz BGJWPJUJQBQSRY-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953216 1231409041 /nfs/dbraw/zinc/40/90/41/1231409041.db2.gz LCKCRSNUBRATLE-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677380 1231647052 /nfs/dbraw/zinc/64/70/52/1231647052.db2.gz BJOHAHIUYRDQNQ-OALUTQOASA-N 2 0 337.483 2.309 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001045385857 1233711106 /nfs/dbraw/zinc/71/11/06/1233711106.db2.gz ZNPRLWBURVBADR-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001046556601 1234935659 /nfs/dbraw/zinc/93/56/59/1234935659.db2.gz JOHZZIHIGABVDR-ICSRJNTNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047265146 1235777485 /nfs/dbraw/zinc/77/74/85/1235777485.db2.gz XXQYKKYERBOXFD-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001000107022 1239951141 /nfs/dbraw/zinc/95/11/41/1239951141.db2.gz WCEBGVXDCDTEBF-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171010 1240174346 /nfs/dbraw/zinc/17/43/46/1240174346.db2.gz IAZYXUAUEUCEEE-MWDXBVQZSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001475382 1242344155 /nfs/dbraw/zinc/34/41/55/1242344155.db2.gz CLTMRQKOQHOGNZ-IBGZPJMESA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001050560873 1243848135 /nfs/dbraw/zinc/84/81/35/1243848135.db2.gz KJIWWJSMMNDTOH-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001050560708 1243848808 /nfs/dbraw/zinc/84/88/08/1243848808.db2.gz FDIAXMBQDUAUCN-UHFFFAOYSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)CC2)CC1 ZINC001052952056 1245541294 /nfs/dbraw/zinc/54/12/94/1245541294.db2.gz BJHCYOLXFIRQET-QVNOTHCHSA-N 2 0 337.895 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001053092678 1245882758 /nfs/dbraw/zinc/88/27/58/1245882758.db2.gz IOXYPIJPWWLHKA-RTBURBONSA-N 2 0 342.487 2.390 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132196 1247480077 /nfs/dbraw/zinc/48/00/77/1247480077.db2.gz BCRFVSHRCOYXPO-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186433 1247655158 /nfs/dbraw/zinc/65/51/58/1247655158.db2.gz SDNMTNFIIWRCDS-HXUWFJFHSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054239726 1247830230 /nfs/dbraw/zinc/83/02/30/1247830230.db2.gz KQTMARIRGOTCHZ-RDJZCZTQSA-N 2 0 325.884 2.005 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244997 1247861479 /nfs/dbraw/zinc/86/14/79/1247861479.db2.gz MNBNVPHEBSSGRD-CTNGQTDRSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@H+](C(C)C)C3)CC1 ZINC001054292593 1248033121 /nfs/dbraw/zinc/03/31/21/1248033121.db2.gz MXZQOYTVGJRUJQ-UHFFFAOYSA-N 2 0 339.483 2.372 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709872 1278760498 /nfs/dbraw/zinc/76/04/98/1278760498.db2.gz NIWNHMXPYMKBPH-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185751629 1278785793 /nfs/dbraw/zinc/78/57/93/1278785793.db2.gz PKRFSNCPJNSXNU-ROUUACIJSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201061840 1287259552 /nfs/dbraw/zinc/25/95/52/1287259552.db2.gz BNLSWOBBTKMJJB-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673479 1279982806 /nfs/dbraw/zinc/98/28/06/1279982806.db2.gz OEDKKRGUXFCEPM-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001192958168 1282246756 /nfs/dbraw/zinc/24/67/56/1282246756.db2.gz FPMYMAHGILSFCK-QGZVFWFLSA-N 2 0 346.450 2.072 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)C)C2)CC1 ZINC001194246458 1282955833 /nfs/dbraw/zinc/95/58/33/1282955833.db2.gz MRPPADRBTYNUIC-IBGZPJMESA-N 2 0 333.520 2.301 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001194284684 1282978235 /nfs/dbraw/zinc/97/82/35/1282978235.db2.gz LNFTZEKDMJMHKD-KRWDZBQOSA-N 2 0 346.450 2.070 20 30 EEEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001071059870 1286742934 /nfs/dbraw/zinc/74/29/34/1286742934.db2.gz GGGGBWNHBGXJJF-QRVBRYPASA-N 2 0 349.519 2.033 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754138 1294187706 /nfs/dbraw/zinc/18/77/06/1294187706.db2.gz GLHJLLIAIJUMMB-AKHDSKFASA-N 2 0 349.519 2.031 20 30 EEEDRP N#Cc1c(NC(=O)[C@H](C[NH3+])Cc2ccccc2)sc2c1CC[NH2+]C2 ZINC001218554619 1297711386 /nfs/dbraw/zinc/71/13/86/1297711386.db2.gz VHZSJBSQFVPWAY-ZDUSSCGKSA-N 2 0 340.452 2.022 20 30 EEEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001218559059 1297713049 /nfs/dbraw/zinc/71/30/49/1297713049.db2.gz MZPRGKUXFRNMOE-OAHLLOKOSA-N 2 0 325.416 2.326 20 30 EEEDRP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008738 1298216897 /nfs/dbraw/zinc/21/68/97/1298216897.db2.gz FMHYWVJBAVKUBG-MSOLQXFVSA-N 2 0 344.459 2.080 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cccc2ccccc21 ZINC001220868724 1298566240 /nfs/dbraw/zinc/56/62/40/1298566240.db2.gz QLBRRJZQRFABAU-ICSRJNTNSA-N 2 0 337.467 2.476 20 30 EEEDRP C#CC[C@]1(C(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC001221037821 1298630908 /nfs/dbraw/zinc/63/09/08/1298630908.db2.gz WCXSZHPHJQSGRC-AZUAARDMSA-N 2 0 343.446 2.128 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950416 1299221607 /nfs/dbraw/zinc/22/16/07/1299221607.db2.gz GXQCVNAEYKLXEB-QZTJIDSGSA-N 2 0 339.524 2.068 20 30 EEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099570549 1299232818 /nfs/dbraw/zinc/23/28/18/1299232818.db2.gz RTJGRZNJLOXHFN-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083646 1302187508 /nfs/dbraw/zinc/18/75/08/1302187508.db2.gz BTPVMRDKIQWIHM-QRVBRYPASA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732570 1303272820 /nfs/dbraw/zinc/27/28/20/1303272820.db2.gz HFVNOBUPCUZQPQ-RTBURBONSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C)CC1 ZINC001103752662 1303296251 /nfs/dbraw/zinc/29/62/51/1303296251.db2.gz SGRWIMQSJCSJSW-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230597990 1303303908 /nfs/dbraw/zinc/30/39/08/1303303908.db2.gz BUULNFPRFCLMLI-MOPGFXCFSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCN(CCCNC(=O)[C@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846646 1303498657 /nfs/dbraw/zinc/49/86/57/1303498657.db2.gz SJNANJWGTJFEPM-IBGZPJMESA-N 2 0 344.503 2.144 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115109032 1304691031 /nfs/dbraw/zinc/69/10/31/1304691031.db2.gz ROHIEVBAMFTLEU-XFKSJGNHSA-N 2 0 327.472 2.086 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120032378 1309290438 /nfs/dbraw/zinc/29/04/38/1309290438.db2.gz HIONKNREVQXWRU-UHFFFAOYSA-N 2 0 339.524 2.330 20 30 EEEDRP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401641 1309511822 /nfs/dbraw/zinc/51/18/22/1309511822.db2.gz KQAKQVDEUPZMGN-ROUUACIJSA-N 2 0 333.520 2.443 20 30 EEEDRP N#Cc1cncc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001278366183 1309819466 /nfs/dbraw/zinc/81/94/66/1309819466.db2.gz DKGYNODDIRINHD-UHFFFAOYSA-N 2 0 349.438 2.152 20 30 EEEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246305070 1310277043 /nfs/dbraw/zinc/27/70/43/1310277043.db2.gz OKGRHRLXLKPHFO-HFCFLWKCSA-N 2 0 337.508 2.115 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246310481 1310277593 /nfs/dbraw/zinc/27/75/93/1310277593.db2.gz GTRWMXBHOOYQEH-IRXDYDNUSA-N 2 0 337.508 2.258 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246314648 1310279823 /nfs/dbraw/zinc/27/98/23/1310279823.db2.gz YCZHXWMKJZSRMI-HZMVEIRTSA-N 2 0 325.497 2.112 20 30 EEEDRP N#C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246439530 1310311563 /nfs/dbraw/zinc/31/15/63/1310311563.db2.gz YRRCIGCYQIOJBD-IRXDYDNUSA-N 2 0 332.879 2.238 20 30 EEEDRP CCCCCCC[C@@H](CC)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923600 1310467605 /nfs/dbraw/zinc/46/76/05/1310467605.db2.gz CQZVALQXTAKAJW-QGZVFWFLSA-N 3 0 328.545 2.241 20 30 EEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001138665293 1314641836 /nfs/dbraw/zinc/64/18/36/1314641836.db2.gz LUUVBYALOSDKEB-UHFFFAOYSA-N 2 0 345.487 2.237 20 30 EEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001139031974 1314691631 /nfs/dbraw/zinc/69/16/31/1314691631.db2.gz FPZDYYUGUPYOSZ-RBUKOAKNSA-N 2 0 329.488 2.462 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001202930381 1314739172 /nfs/dbraw/zinc/73/91/72/1314739172.db2.gz ULJWJMBAELIHMN-SJORKVTESA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203123398 1315703178 /nfs/dbraw/zinc/70/31/78/1315703178.db2.gz UZIXTSOEPMEQFB-QZTJIDSGSA-N 2 0 336.439 2.297 20 30 EEEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841847 1316062083 /nfs/dbraw/zinc/06/20/83/1316062083.db2.gz KYRZLZGQILMOIO-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149847625 1316064213 /nfs/dbraw/zinc/06/42/13/1316064213.db2.gz GCFBHXUZUDCSKN-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001151132536 1316456303 /nfs/dbraw/zinc/45/63/03/1316456303.db2.gz RSKOLUHQRWFNGE-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001151354269 1316511123 /nfs/dbraw/zinc/51/11/23/1316511123.db2.gz KYJLJRJPBKDPPO-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCc2ccccc2)CC1 ZINC001152323637 1316657259 /nfs/dbraw/zinc/65/72/59/1316657259.db2.gz AAPYPEPBCLWTAS-UHFFFAOYSA-N 2 0 341.499 2.060 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCC1 ZINC001152480416 1316677961 /nfs/dbraw/zinc/67/79/61/1316677961.db2.gz STZGXLBFPLQTOX-IBGZPJMESA-N 2 0 342.487 2.275 20 30 EEEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252552424 1317634654 /nfs/dbraw/zinc/63/46/54/1317634654.db2.gz JSJCVDSBNIMDAW-MOPGFXCFSA-N 2 0 345.487 2.074 20 30 EEEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252553490 1317635412 /nfs/dbraw/zinc/63/54/12/1317635412.db2.gz YFERKKFCDKKLKV-ACRUOGEOSA-N 2 0 348.531 2.384 20 30 EEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001158474240 1319259138 /nfs/dbraw/zinc/25/91/38/1319259138.db2.gz URQSYGJMLCXNPR-APWZRJJASA-N 2 0 337.483 2.145 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](CCC)CC1)C2 ZINC001258767999 1319337868 /nfs/dbraw/zinc/33/78/68/1319337868.db2.gz SCLYKYXOIWVRNG-SFHVURJKSA-N 2 0 329.488 2.356 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001162911258 1320987026 /nfs/dbraw/zinc/98/70/26/1320987026.db2.gz JYOTUSIMSFZSRF-UHFFFAOYSA-N 2 0 329.488 2.175 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987434 1321006102 /nfs/dbraw/zinc/00/61/02/1321006102.db2.gz RMXDJTMZEKZOSO-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001166132487 1321660796 /nfs/dbraw/zinc/66/07/96/1321660796.db2.gz XJUUKWXVYOHFRJ-UHFFFAOYSA-N 2 0 339.443 2.333 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203360602 1321869393 /nfs/dbraw/zinc/86/93/93/1321869393.db2.gz XVAMMIZTKHDHOZ-RTBURBONSA-N 2 0 339.483 2.007 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203507269 1321900148 /nfs/dbraw/zinc/90/01/48/1321900148.db2.gz PJCGSDYWHYSASF-OALUTQOASA-N 2 0 339.483 2.402 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCCC)C23CCC3)CC1 ZINC001203769903 1321956990 /nfs/dbraw/zinc/95/69/90/1321956990.db2.gz CKVNNFLDGLOHEO-ZWKOTPCHSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203822804 1321968349 /nfs/dbraw/zinc/96/83/49/1321968349.db2.gz AUTVOPJXQTXPSQ-QZTJIDSGSA-N 2 0 331.504 2.293 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823491 1321968628 /nfs/dbraw/zinc/96/86/28/1321968628.db2.gz KVTIYKONLCSLIP-MSOLQXFVSA-N 2 0 331.504 2.293 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205516167 1323173305 /nfs/dbraw/zinc/17/33/05/1323173305.db2.gz RIXYJHASOFDQQP-CQSZACIVSA-N 2 0 346.313 2.063 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548001 1323530083 /nfs/dbraw/zinc/53/00/83/1323530083.db2.gz MIKXEEMQEWDUHY-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001208330819 1324429671 /nfs/dbraw/zinc/42/96/71/1324429671.db2.gz GLHIZSFDYXYZDN-IEBWSBKVSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463815 1324511159 /nfs/dbraw/zinc/51/11/59/1324511159.db2.gz TVOZOECUWCLGPI-KRWDZBQOSA-N 2 0 330.476 2.455 20 30 EEEDRP C#CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1OC ZINC001276577281 1324612107 /nfs/dbraw/zinc/61/21/07/1324612107.db2.gz XFXNPRKFJXFVSI-HDICACEKSA-N 2 0 328.456 2.481 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001209486112 1324945950 /nfs/dbraw/zinc/94/59/50/1324945950.db2.gz WHRPDRHULAJWDQ-VQTJNVASSA-N 2 0 341.499 2.205 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209631611 1324994041 /nfs/dbraw/zinc/99/40/41/1324994041.db2.gz FSPBPEGMDHTBFA-UYAOXDASSA-N 2 0 339.483 2.103 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001335385396 1336369379 /nfs/dbraw/zinc/36/93/79/1336369379.db2.gz ZJSWJVHZLSFMCW-PKOBYXMFSA-N 2 0 345.487 2.346 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001388737761 1387685873 /nfs/dbraw/zinc/68/58/73/1387685873.db2.gz XKNKKLCBOZORND-GUDVDZBRSA-N 2 0 342.487 2.129 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001376327566 1378465973 /nfs/dbraw/zinc/46/59/73/1378465973.db2.gz BAUUKYLLYRKICP-ZDUSSCGKSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001376870350 1378815380 /nfs/dbraw/zinc/81/53/80/1378815380.db2.gz WNSXNWXFOFUNIW-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001377339269 1379146606 /nfs/dbraw/zinc/14/66/06/1379146606.db2.gz KNNZXAHCPJWMSI-GOSISDBHSA-N 2 0 348.466 2.222 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001380176458 1381092306 /nfs/dbraw/zinc/09/23/06/1381092306.db2.gz LUIKDUFKBOEHFG-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccccc1C#N)C(=O)C1([NH+](C)C)CCC1 ZINC001393622667 1390499062 /nfs/dbraw/zinc/49/90/62/1390499062.db2.gz MCYDNLHZFHOCPB-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397700122 1391436370 /nfs/dbraw/zinc/43/63/70/1391436370.db2.gz QWLNAJGRORIQRZ-JCNLHEQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001399383006 1395027234 /nfs/dbraw/zinc/02/72/34/1395027234.db2.gz HKETYZSIBPAJDM-CYBMUJFWSA-N 2 0 344.297 2.008 20 30 EEEDRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001403067482 1398331977 /nfs/dbraw/zinc/33/19/77/1398331977.db2.gz NWHUMOAZLQEYPC-HNNXBMFYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001755010488 1407031491 /nfs/dbraw/zinc/03/14/91/1407031491.db2.gz FJAMHMNGIOJFDT-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001755074831 1407083949 /nfs/dbraw/zinc/08/39/49/1407083949.db2.gz NTYBHWWLNIAIBZ-UHFFFAOYSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(Br)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001424892005 1401284304 /nfs/dbraw/zinc/28/43/04/1401284304.db2.gz VSDANESXWDYZAS-ZDUSSCGKSA-N 2 0 348.329 2.309 20 30 EEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1cncn1C ZINC001755187875 1407194067 /nfs/dbraw/zinc/19/40/67/1407194067.db2.gz RZAZLIRHUYARHE-UYAOXDASSA-N 2 0 338.455 2.301 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001425969653 1401823930 /nfs/dbraw/zinc/82/39/30/1401823930.db2.gz PVAUIQOSENRTDE-ZIAGYGMSSA-N 2 0 346.313 2.111 20 30 EEEDRP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755361093 1407359589 /nfs/dbraw/zinc/35/95/89/1407359589.db2.gz LYLBPUNFMNLQBI-WOJBJXKFSA-N 2 0 341.499 2.254 20 30 EEEDRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC#Cc1ccccc1 ZINC001755597758 1407668417 /nfs/dbraw/zinc/66/84/17/1407668417.db2.gz PDVRFHHISJIVSP-SFHVURJKSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCC)[C@@H]3C2)CC1 ZINC001755713001 1407767085 /nfs/dbraw/zinc/76/70/85/1407767085.db2.gz SPSXNVDKGSQXBI-XUVXKRRUSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001755828016 1407878276 /nfs/dbraw/zinc/87/82/76/1407878276.db2.gz YLVXSORIJQOUFU-QGZVFWFLSA-N 2 0 339.443 2.025 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536731 1411034264 /nfs/dbraw/zinc/03/42/64/1411034264.db2.gz FWJNWHSUPCQMFT-MSOLQXFVSA-N 2 0 331.504 2.293 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1 ZINC001104622234 762066913 /nfs/dbraw/zinc/06/69/13/762066913.db2.gz UJLWUGJVBBAEIY-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001083215035 759539869 /nfs/dbraw/zinc/53/98/69/759539869.db2.gz FCTHVPKFOPTTOJ-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440064 761374790 /nfs/dbraw/zinc/37/47/90/761374790.db2.gz KCZZTQZLXLIQOD-MJGOQNOKSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306402 761554355 /nfs/dbraw/zinc/55/43/55/761554355.db2.gz IMWLSVGQZWLPHR-RLLQIKCJSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980179959 774012365 /nfs/dbraw/zinc/01/23/65/774012365.db2.gz UFMABIGHKCYHCL-YESZJQIVSA-N 2 0 339.911 2.297 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779652 783196931 /nfs/dbraw/zinc/19/69/31/783196931.db2.gz SFXFERCQZMHVJX-MXASKKJJSA-N 2 0 339.911 2.107 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001089828281 777216235 /nfs/dbraw/zinc/21/62/35/777216235.db2.gz RXKBCCUDPNNLJT-QLIIJSOBSA-N 2 0 348.450 2.058 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094352 777424402 /nfs/dbraw/zinc/42/44/02/777424402.db2.gz XYCFBVJLGWTSHB-OALUTQOASA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)CCO2 ZINC000949108824 778507267 /nfs/dbraw/zinc/50/72/67/778507267.db2.gz YFTKKOZHYKUYIO-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982109982 779118697 /nfs/dbraw/zinc/11/86/97/779118697.db2.gz DSHTYRMKHLVCKA-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC000982162511 779182458 /nfs/dbraw/zinc/18/24/58/779182458.db2.gz RSICGDSQDSRXBH-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947359688 779374269 /nfs/dbraw/zinc/37/42/69/779374269.db2.gz AZRHMFUZAQJHIJ-ZBFHGGJFSA-N 2 0 333.501 2.416 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164232 781799853 /nfs/dbraw/zinc/79/98/53/781799853.db2.gz HVIQAQTWWVWNER-KFWWJZLASA-N 2 0 347.425 2.109 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001035052614 783659588 /nfs/dbraw/zinc/65/95/88/783659588.db2.gz RQRAIGQYCIEWEB-MSOLQXFVSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC[NH+](C)C ZINC001135372286 783662213 /nfs/dbraw/zinc/66/22/13/783662213.db2.gz QDMSOVKTMMQQGT-KBPBESRZSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215499 784140243 /nfs/dbraw/zinc/14/02/43/784140243.db2.gz GSEVSTSLMZESKK-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135858092 784641194 /nfs/dbraw/zinc/64/11/94/784641194.db2.gz SJTZAOIZMOOYRQ-QZTJIDSGSA-N 2 0 329.488 2.253 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974410 784919659 /nfs/dbraw/zinc/91/96/59/784919659.db2.gz ORZXYMZITPZJOD-ZIAGYGMSSA-N 2 0 348.329 2.500 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794519 785143978 /nfs/dbraw/zinc/14/39/78/785143978.db2.gz FALCWXLWKWOIIV-HXUWFJFHSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001170896117 785233027 /nfs/dbraw/zinc/23/30/27/785233027.db2.gz URUFKDOEGALSEB-CRAIPNDOSA-N 2 0 345.491 2.078 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995802901 785691737 /nfs/dbraw/zinc/69/17/37/785691737.db2.gz PNEYACHHADDRNB-CABCVRRESA-N 2 0 327.900 2.438 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036210105 785999996 /nfs/dbraw/zinc/99/99/96/785999996.db2.gz NPIXBQFYSFMDJA-XJKSGUPXSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996099361 786010370 /nfs/dbraw/zinc/01/03/70/786010370.db2.gz LYZKIMARCQEDOP-HOTGVXAUSA-N 2 0 339.911 2.440 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996135957 786074279 /nfs/dbraw/zinc/07/42/79/786074279.db2.gz OCRLHWODIBAZAJ-AWEZNQCLSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CC3CCC3)C2)CC1 ZINC001036477213 786482569 /nfs/dbraw/zinc/48/25/69/786482569.db2.gz YEYNMSYPFOVZII-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911743452 787680379 /nfs/dbraw/zinc/68/03/79/787680379.db2.gz CTIGCMYRASXIHS-DLBZAZTESA-N 2 0 345.443 2.218 20 30 EEEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CCCOCC)C1 ZINC000912499118 788210947 /nfs/dbraw/zinc/21/09/47/788210947.db2.gz LCRMRTMCTOKQLN-MRXNPFEDSA-N 2 0 326.529 2.479 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501994 789143856 /nfs/dbraw/zinc/14/38/56/789143856.db2.gz JOPAFVDMNHBYPK-ICSRJNTNSA-N 2 0 336.439 2.393 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923354309 789432926 /nfs/dbraw/zinc/43/29/26/789432926.db2.gz RXNFOHZKLYBVDW-GOSISDBHSA-N 2 0 331.460 2.139 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923390235 789477309 /nfs/dbraw/zinc/47/73/09/789477309.db2.gz URKHVGISFUERLB-RTBURBONSA-N 2 0 343.471 2.010 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198758 790103004 /nfs/dbraw/zinc/10/30/04/790103004.db2.gz SBLGSIAPNXDUFZ-PCKAHOCUSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610145 791373730 /nfs/dbraw/zinc/37/37/30/791373730.db2.gz HWPOWCISFURLDN-IAGOWNOFSA-N 2 0 333.520 2.395 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939371 793026473 /nfs/dbraw/zinc/02/64/73/793026473.db2.gz OXKGSOIVBLXXQH-KRWDZBQOSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC000992512339 794463836 /nfs/dbraw/zinc/46/38/36/794463836.db2.gz RXXFRXCQTZGPKI-CTNGQTDRSA-N 2 0 343.515 2.245 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999508371 794560449 /nfs/dbraw/zinc/56/04/49/794560449.db2.gz HMNTTWOVTRDQFL-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573761 794671864 /nfs/dbraw/zinc/67/18/64/794671864.db2.gz JTYARYXRJVOSOJ-HZPDHXFCSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731787 794678440 /nfs/dbraw/zinc/67/84/40/794678440.db2.gz YVPBIVMQPWRRBF-DOTOQJQBSA-N 2 0 345.512 2.369 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC001081231494 796702058 /nfs/dbraw/zinc/70/20/58/796702058.db2.gz JGYKLURHAQBIPG-VQTJNVASSA-N 2 0 339.483 2.080 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001172312667 796952910 /nfs/dbraw/zinc/95/29/10/796952910.db2.gz IDDQAFHZCJJGHF-SFHVURJKSA-N 2 0 340.515 2.449 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001001833928 797264379 /nfs/dbraw/zinc/26/43/79/797264379.db2.gz MTKWRGPKEFZRRV-KRWDZBQOSA-N 2 0 330.476 2.158 20 30 EEEDRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082740715 797674921 /nfs/dbraw/zinc/67/49/21/797674921.db2.gz DCSHFXVRUVLQFO-JKIFEVAISA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)[C@H]2C)CC1 ZINC000994498551 798095617 /nfs/dbraw/zinc/09/56/17/798095617.db2.gz NBMKCTBVRLTGCC-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)s1 ZINC001176319492 798429886 /nfs/dbraw/zinc/42/98/86/798429886.db2.gz XQXSNFHSEIAYPX-UHFFFAOYSA-N 2 0 348.516 2.482 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998026 798600436 /nfs/dbraw/zinc/60/04/36/798600436.db2.gz OLFUUGJWFNMDMN-NZSAHSFTSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001176926855 798631115 /nfs/dbraw/zinc/63/11/15/798631115.db2.gz XWBUTTIRSZCHAK-QGZVFWFLSA-N 2 0 327.472 2.189 20 30 EEEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002823925 798664969 /nfs/dbraw/zinc/66/49/69/798664969.db2.gz OOQICPRKUDTTNY-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001177398823 798920968 /nfs/dbraw/zinc/92/09/68/798920968.db2.gz YFMRCWHTDBPHKA-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001177416236 798933879 /nfs/dbraw/zinc/93/38/79/798933879.db2.gz WZUMXGYMFPIFTJ-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598101 800866800 /nfs/dbraw/zinc/86/68/00/800866800.db2.gz MXGWXJNXVGJUQW-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001183129208 801468940 /nfs/dbraw/zinc/46/89/40/801468940.db2.gz MVJQDKYRTIZGRH-OXQOHEQNSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586766 801484640 /nfs/dbraw/zinc/48/46/40/801484640.db2.gz VTPRMCOFDFIMED-OTWHNJEPSA-N 2 0 331.504 2.053 20 30 EEEDRP C[NH+](C)[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001183374312 801591216 /nfs/dbraw/zinc/59/12/16/801591216.db2.gz SPRCVABJODJLHL-HDICACEKSA-N 2 0 340.471 2.001 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184578222 802080223 /nfs/dbraw/zinc/08/02/23/802080223.db2.gz SJHYEZJNLFAANG-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457413 802118278 /nfs/dbraw/zinc/11/82/78/802118278.db2.gz KQFSXIIQPIRTIV-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108733851 804420348 /nfs/dbraw/zinc/42/03/48/804420348.db2.gz ITXDZVYXCKXRIE-KSZLIROESA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830037 804553522 /nfs/dbraw/zinc/55/35/22/804553522.db2.gz CRCNBKZDWIFFMB-SXLOBPIMSA-N 2 0 339.483 2.354 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086579223 808153342 /nfs/dbraw/zinc/15/33/42/808153342.db2.gz RMXPRKCUECBOFO-OTWHNJEPSA-N 2 0 327.472 2.241 20 30 EEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086619898 810645916 /nfs/dbraw/zinc/64/59/16/810645916.db2.gz MXWUUIVURXNMMC-YTQUADARSA-N 2 0 327.472 2.098 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415343 811603352 /nfs/dbraw/zinc/60/33/52/811603352.db2.gz FSLCKVMDDJRQNR-CVEARBPZSA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001130453250 811690361 /nfs/dbraw/zinc/69/03/61/811690361.db2.gz VSPNLQOUAYKAPZ-MRXNPFEDSA-N 2 0 347.507 2.122 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001436923460 1088584017 /nfs/dbraw/zinc/58/40/17/1088584017.db2.gz DRTICSYAIGULLP-IYARVYRRSA-N 2 0 328.460 2.027 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)CCC1 ZINC001440345377 1093494665 /nfs/dbraw/zinc/49/46/65/1093494665.db2.gz UJAOAOXXNSXFQV-RZDIXWSQSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001448983534 1093987365 /nfs/dbraw/zinc/98/73/65/1093987365.db2.gz RSULWASLBBCYKZ-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001496370342 1100963579 /nfs/dbraw/zinc/96/35/79/1100963579.db2.gz UGQSBGLHTUAWHM-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001502000338 1113553795 /nfs/dbraw/zinc/55/37/95/1113553795.db2.gz ZYCALJZRUXZZLZ-INIZCTEOSA-N 2 0 340.471 2.029 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505847965 1114230842 /nfs/dbraw/zinc/23/08/42/1114230842.db2.gz HQZOLAWJYQLYRX-CQSZACIVSA-N 2 0 348.516 2.146 20 30 EEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(OC)c(C#N)c1 ZINC000344131023 161200997 /nfs/dbraw/zinc/20/09/97/161200997.db2.gz NDIJIMMHYMILGS-UHFFFAOYSA-N 2 0 344.503 2.416 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000366862550 165873313 /nfs/dbraw/zinc/87/33/13/165873313.db2.gz BUESTBQIDBBNPV-UHFFFAOYSA-N 2 0 326.444 2.305 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358449999 465130674 /nfs/dbraw/zinc/13/06/74/465130674.db2.gz RVFIVCZESRCHLV-UHFFFAOYSA-N 2 0 336.524 2.448 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000552113638 468308824 /nfs/dbraw/zinc/30/88/24/468308824.db2.gz BUWLHRFVEWVAKR-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261673648 463823221 /nfs/dbraw/zinc/82/32/21/463823221.db2.gz CIAJJLYSZIGRSM-ZDUSSCGKSA-N 2 0 325.888 2.028 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262813156 464048561 /nfs/dbraw/zinc/04/85/61/464048561.db2.gz VTIXOPVYGCIMHV-IRXDYDNUSA-N 2 0 340.471 2.074 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000264081718 464281179 /nfs/dbraw/zinc/28/11/79/464281179.db2.gz ISQWIBUIZBRNAH-UHFFFAOYSA-N 2 0 348.491 2.230 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cccc(Cl)c2n1C ZINC000274792630 464755636 /nfs/dbraw/zinc/75/56/36/464755636.db2.gz QIYVTYMTTOOWFM-GFCCVEGCSA-N 2 0 348.882 2.115 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000298657917 465462922 /nfs/dbraw/zinc/46/29/22/465462922.db2.gz PZYINVDTYIVPGG-SFHVURJKSA-N 2 0 336.524 2.469 20 30 EEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330419514 465652565 /nfs/dbraw/zinc/65/25/65/465652565.db2.gz GACIKRVHGXBDRX-NVXWUHKLSA-N 2 0 334.508 2.095 20 30 EEEDRP C#CCCOc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369295334 466724792 /nfs/dbraw/zinc/72/47/92/466724792.db2.gz VDWPYIJUDZDQRH-IBGZPJMESA-N 2 0 341.499 2.347 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000417058135 466767543 /nfs/dbraw/zinc/76/75/43/466767543.db2.gz DQHGYRWONBYHDN-QZTJIDSGSA-N 2 0 336.524 2.455 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)C(C)C ZINC000417073428 466771466 /nfs/dbraw/zinc/77/14/66/466771466.db2.gz XVQOBEURIXSZLU-MSOLQXFVSA-N 2 0 336.524 2.326 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000424151830 466991453 /nfs/dbraw/zinc/99/14/53/466991453.db2.gz GGGAKXONHBBWTQ-HOTGVXAUSA-N 2 0 346.500 2.240 20 30 EEEDRP C=CCn1cccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000488985620 468114304 /nfs/dbraw/zinc/11/43/04/468114304.db2.gz RIRWSSCPJHIHQL-QGZVFWFLSA-N 2 0 332.492 2.162 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC000490589250 468222248 /nfs/dbraw/zinc/22/22/48/468222248.db2.gz AFNXGALHUUJMMB-LNLFQRSKSA-N 2 0 331.504 2.195 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000602088923 469183769 /nfs/dbraw/zinc/18/37/69/469183769.db2.gz SONDSIURHOGHFR-UHFFFAOYSA-N 2 0 344.503 2.426 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000644531769 470974962 /nfs/dbraw/zinc/97/49/62/470974962.db2.gz IQQKJPNTEOHUTG-LPHOPBHVSA-N 2 0 330.472 2.229 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1c(C)nc2ccccc21 ZINC000104156033 529072392 /nfs/dbraw/zinc/07/23/92/529072392.db2.gz PSVOFBANFBRRNU-MRXNPFEDSA-N 2 0 342.491 2.123 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180135 675923154 /nfs/dbraw/zinc/92/31/54/675923154.db2.gz LWXCKESWQBYBFW-MOPGFXCFSA-N 2 0 333.520 2.156 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000970799705 676157421 /nfs/dbraw/zinc/15/74/21/676157421.db2.gz HDDZPMGXTUTZDG-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971800728 676811542 /nfs/dbraw/zinc/81/15/42/676811542.db2.gz LYBQAWXIWVVXFE-MOPGFXCFSA-N 2 0 340.471 2.075 20 30 EEEDRP CC[NH+]=C(NCCC1CC[NH+](CC)CC1)N1CC[C@]2(CCOC2)C1 ZINC000262023274 677874462 /nfs/dbraw/zinc/87/44/62/677874462.db2.gz ZGSYRLCHBGMLSM-IBGZPJMESA-N 2 0 336.524 2.186 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972400829 678685621 /nfs/dbraw/zinc/68/56/21/678685621.db2.gz BLIOREUNQPDDJN-ZCNNSNEGSA-N 2 0 341.499 2.441 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023397134 679289640 /nfs/dbraw/zinc/28/96/40/679289640.db2.gz XNURXEGAESMTEX-OAHLLOKOSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479951 679962939 /nfs/dbraw/zinc/96/29/39/679962939.db2.gz VEJDERXIJPGGRP-RBUKOAKNSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712433 681373368 /nfs/dbraw/zinc/37/33/68/681373368.db2.gz XNRNDRIMBKWTLT-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP CC[C@]1(C)CCN(C(NCC2([NH+]3CCCC3)CCOCC2)=[NH+]C)C1 ZINC000261831905 681643572 /nfs/dbraw/zinc/64/35/72/681643572.db2.gz VOUPBHGQFTYZLX-GOSISDBHSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754991 682101553 /nfs/dbraw/zinc/10/15/53/682101553.db2.gz DPAGOBKOAXHNEK-PKOBYXMFSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262004101 682786757 /nfs/dbraw/zinc/78/67/57/682786757.db2.gz VCOWJKODAZCVEW-PKOBYXMFSA-N 2 0 336.524 2.185 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586107 683044421 /nfs/dbraw/zinc/04/44/21/683044421.db2.gz WECKVEHDDLOKNA-HKUYNNGSSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625413 693757384 /nfs/dbraw/zinc/75/73/84/693757384.db2.gz BUUWWSCSQSZURL-AKHDSKFASA-N 2 0 331.504 2.264 20 30 EEEDRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001026891156 685254746 /nfs/dbraw/zinc/25/47/46/685254746.db2.gz NIMBOOCIAJDFEM-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC001027234376 686870657 /nfs/dbraw/zinc/87/06/57/686870657.db2.gz VHXBQPCWOALLIX-INIZCTEOSA-N 2 0 345.512 2.031 20 30 EEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964727 691331334 /nfs/dbraw/zinc/33/13/34/691331334.db2.gz DVLNOZYQGUENGQ-UONOGXRCSA-N 2 0 346.500 2.183 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000264098836 691482520 /nfs/dbraw/zinc/48/25/20/691482520.db2.gz MNJLOHOJWUVWMD-JKSUJKDBSA-N 2 0 349.548 2.274 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001032206469 1193087545 /nfs/dbraw/zinc/08/75/45/1193087545.db2.gz BRQOXTKTASISLB-KRWDZBQOSA-N 2 0 339.483 2.141 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001482427264 1185681196 /nfs/dbraw/zinc/68/11/96/1185681196.db2.gz ACUBXVCXTQHKBY-QFBILLFUSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997171823 1193476996 /nfs/dbraw/zinc/47/69/96/1193476996.db2.gz WBZDCFVMHOABAA-QGZVFWFLSA-N 2 0 331.504 2.102 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001486129141 1193689501 /nfs/dbraw/zinc/68/95/01/1193689501.db2.gz MMYRLVKGXGQIAK-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417280 1194539321 /nfs/dbraw/zinc/53/93/21/1194539321.db2.gz VVAUXJCSRFGKHU-MAUKXSAKSA-N 2 0 325.472 2.308 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2C#N)CCC1 ZINC001034957348 1196918005 /nfs/dbraw/zinc/91/80/05/1196918005.db2.gz POCYKVSIQIMNII-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143552 1197003975 /nfs/dbraw/zinc/00/39/75/1197003975.db2.gz IBOHOPWRVJNPKR-FQEVSTJZSA-N 2 0 347.503 2.136 20 30 EEEDRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001411241564 1198960307 /nfs/dbraw/zinc/96/03/07/1198960307.db2.gz WNVUIOJUPRGNJP-UHFFFAOYSA-N 2 0 340.471 2.122 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406513 1199664613 /nfs/dbraw/zinc/66/46/13/1199664613.db2.gz KIRAZUWGPMIKMO-IRXDYDNUSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132931859 1200208292 /nfs/dbraw/zinc/20/82/92/1200208292.db2.gz DUNADLJKMVUIOJ-ZWKOTPCHSA-N 2 0 342.487 2.005 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132931856 1200208577 /nfs/dbraw/zinc/20/85/77/1200208577.db2.gz DUNADLJKMVUIOJ-MSOLQXFVSA-N 2 0 342.487 2.005 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133065315 1200388465 /nfs/dbraw/zinc/38/84/65/1200388465.db2.gz XACCIJLJWZQARD-HIFRSBDPSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114455759 1200565965 /nfs/dbraw/zinc/56/59/65/1200565965.db2.gz ITTYZFLPJJSMBZ-BDXSIMOUSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133337405 1200761462 /nfs/dbraw/zinc/76/14/62/1200761462.db2.gz NJXZLPJNROGHGC-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128782915 1201630936 /nfs/dbraw/zinc/63/09/36/1201630936.db2.gz VZLSMOSLXLPEJQ-OAHLLOKOSA-N 2 0 335.521 2.253 20 30 EEEDRP C=CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001274974496 1205223279 /nfs/dbraw/zinc/22/32/79/1205223279.db2.gz MKQMUANTXZZTOC-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001275950132 1205599598 /nfs/dbraw/zinc/59/95/98/1205599598.db2.gz PQPPRCUHENAMRP-AEFFLSMTSA-N 2 0 337.471 2.107 20 30 EEEDRP C#Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c1 ZINC001276096957 1205779842 /nfs/dbraw/zinc/77/98/42/1205779842.db2.gz MZRJLUZLSULUBD-LEWJYISDSA-N 2 0 339.483 2.281 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001095556236 1205872831 /nfs/dbraw/zinc/87/28/31/1205872831.db2.gz GMTKOIVLNCZAOJ-FYQPLNBISA-N 2 0 343.515 2.386 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056884 1208846848 /nfs/dbraw/zinc/84/68/48/1208846848.db2.gz NKEPJYHPBIYIFS-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432440 1209135015 /nfs/dbraw/zinc/13/50/15/1209135015.db2.gz GWYITFHVAICDHP-IEBWSBKVSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000948705646 1209312526 /nfs/dbraw/zinc/31/25/26/1209312526.db2.gz ITKFANPRFOSWKE-PKOBYXMFSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000948923850 1209455771 /nfs/dbraw/zinc/45/57/71/1209455771.db2.gz VJPHYBMLKSAPSI-POAQFYNOSA-N 2 0 339.483 2.066 20 30 EEEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000303883381 1213919595 /nfs/dbraw/zinc/91/95/95/1213919595.db2.gz IOBWZYGMAGYEJO-CALCHBBNSA-N 2 0 344.503 2.311 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC000957559077 1215209604 /nfs/dbraw/zinc/20/96/04/1215209604.db2.gz AHPHZNAKDQNCRD-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960268006 1216459918 /nfs/dbraw/zinc/45/99/18/1216459918.db2.gz KXSOERJEHXRFNF-WJFTUGDTSA-N 2 0 327.472 2.275 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960325815 1216495263 /nfs/dbraw/zinc/49/52/63/1216495263.db2.gz DSFXTSLXSBBXPY-XFQXTVEOSA-N 2 0 327.472 2.276 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961373259 1217162725 /nfs/dbraw/zinc/16/27/25/1217162725.db2.gz NBQJIBKCJFNDJX-NZSAHSFTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961376949 1217165024 /nfs/dbraw/zinc/16/50/24/1217165024.db2.gz UKQNRQPKBAWRTD-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961432786 1217187997 /nfs/dbraw/zinc/18/79/97/1217187997.db2.gz SHKOFLWEPKPNTB-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000964208184 1218262366 /nfs/dbraw/zinc/26/23/66/1218262366.db2.gz RXNWZVKEYKSBAY-UHFFFAOYSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC000965943217 1219384987 /nfs/dbraw/zinc/38/49/87/1219384987.db2.gz MIIBSSUNTIYSLM-UHFFFAOYSA-N 2 0 343.471 2.385 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311952 1220403348 /nfs/dbraw/zinc/40/33/48/1220403348.db2.gz LHVCITKFEUZCMA-YJBOKZPZSA-N 2 0 339.443 2.284 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967311949 1220403397 /nfs/dbraw/zinc/40/33/97/1220403397.db2.gz LHVCITKFEUZCMA-QAPCUYQASA-N 2 0 339.443 2.284 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001007649704 1222345838 /nfs/dbraw/zinc/34/58/38/1222345838.db2.gz WXPFXSBEOPORCG-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916591 1226969044 /nfs/dbraw/zinc/96/90/44/1226969044.db2.gz UMGLKGREGXLPIX-SFHVURJKSA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001018927873 1228538775 /nfs/dbraw/zinc/53/87/75/1228538775.db2.gz AGQDEQLXUDYMGQ-ZDUSSCGKSA-N 2 0 327.881 2.366 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182915 1230410492 /nfs/dbraw/zinc/41/04/92/1230410492.db2.gz UMZFZDXWTACCCJ-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039288631 1230510558 /nfs/dbraw/zinc/51/05/58/1230510558.db2.gz CMPRDMXFWKPGTH-HRVKUGKESA-N 2 0 331.504 2.384 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCC(=C)C)C3)C2)CC1 ZINC001041844771 1231728285 /nfs/dbraw/zinc/72/82/85/1231728285.db2.gz MPXQQXFRCWNPRW-OAQYLSRUSA-N 2 0 343.515 2.222 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366963 1232048866 /nfs/dbraw/zinc/04/88/66/1232048866.db2.gz YPXKBFQOMXOUMO-AZUAARDMSA-N 2 0 339.483 2.308 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001045068108 1233482188 /nfs/dbraw/zinc/48/21/88/1233482188.db2.gz GWGIAIPZPIJXNX-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC001045647082 1233880872 /nfs/dbraw/zinc/88/08/72/1233880872.db2.gz QPXIMXXUCRVBRM-MRXNPFEDSA-N 2 0 337.483 2.050 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939017 1234194839 /nfs/dbraw/zinc/19/48/39/1234194839.db2.gz RTPGIECSNBOESL-ZVDOUQERSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCF)CC1 ZINC001048590613 1238043286 /nfs/dbraw/zinc/04/32/86/1238043286.db2.gz QYRRNLLHJPREOJ-GGPHIMKMSA-N 2 0 349.494 2.050 20 30 EEEDRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001000080990 1239910351 /nfs/dbraw/zinc/91/03/51/1239910351.db2.gz JKRIMPRINZKZKY-HNNXBMFYSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC001000246598 1240098646 /nfs/dbraw/zinc/09/86/46/1240098646.db2.gz CSLPUOUGTMMNEE-SFHVURJKSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566174 1241440784 /nfs/dbraw/zinc/44/07/84/1241440784.db2.gz GYJZHYPOPLTCCZ-GUDVDZBRSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001073899214 1242763314 /nfs/dbraw/zinc/76/33/14/1242763314.db2.gz NVRNVGYLGMUYJJ-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C/C=C/Cl)CC3)CC1 ZINC001050764901 1244317067 /nfs/dbraw/zinc/31/70/67/1244317067.db2.gz IWYIXJAHROHVNK-FPYGCLRLSA-N 2 0 349.906 2.009 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)O2 ZINC001053682413 1246640040 /nfs/dbraw/zinc/64/00/40/1246640040.db2.gz GMWYUOCGSUMAOS-GOSISDBHSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054060437 1247271050 /nfs/dbraw/zinc/27/10/50/1247271050.db2.gz MSVJSUFMTOWUDC-WOJBJXKFSA-N 2 0 341.499 2.447 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074769674 1257125028 /nfs/dbraw/zinc/12/50/28/1257125028.db2.gz VBAGKVQNIQTZIM-BPUTZDHNSA-N 2 0 325.884 2.192 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](CC)CC ZINC001185609724 1278716739 /nfs/dbraw/zinc/71/67/39/1278716739.db2.gz MZVKZVNVUSMQNZ-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185740401 1278768118 /nfs/dbraw/zinc/76/81/18/1278768118.db2.gz BUVISHSNLZCQNZ-QFBILLFUSA-N 2 0 327.472 2.069 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001187240272 1279448187 /nfs/dbraw/zinc/44/81/87/1279448187.db2.gz JNDRPSKOVZHJHT-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)C1 ZINC001191019164 1281178389 /nfs/dbraw/zinc/17/83/89/1281178389.db2.gz KDEFEAYPEJANJM-GOSISDBHSA-N 2 0 342.487 2.321 20 30 EEEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406777 1283034480 /nfs/dbraw/zinc/03/44/80/1283034480.db2.gz ADXLDSYMBHLGQY-MRXNPFEDSA-N 2 0 331.460 2.291 20 30 EEEDRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152339722 1284629852 /nfs/dbraw/zinc/62/98/52/1284629852.db2.gz AHNNZPUXILAYIR-UHFFFAOYSA-N 2 0 347.890 2.273 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885449 1285411451 /nfs/dbraw/zinc/41/14/51/1285411451.db2.gz IBQHUMCKTPYEHI-GOSISDBHSA-N 2 0 345.487 2.360 20 30 EEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201378449 1289542409 /nfs/dbraw/zinc/54/24/09/1289542409.db2.gz KZPITJABRMNCHC-UHFFFAOYSA-N 2 0 330.476 2.455 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201393035 1289557267 /nfs/dbraw/zinc/55/72/67/1289557267.db2.gz IGGLGVBUNXDJNS-UHFFFAOYSA-N 2 0 342.443 2.040 20 30 EEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252777 1295949446 /nfs/dbraw/zinc/94/94/46/1295949446.db2.gz PYCZZNRFMFLZGU-GVDBMIGSSA-N 2 0 337.508 2.031 20 30 EEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000863552380 1296331492 /nfs/dbraw/zinc/33/14/92/1296331492.db2.gz ZBMWFNFGXGGIRZ-QGZVFWFLSA-N 2 0 331.460 2.150 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073748293 1297480766 /nfs/dbraw/zinc/48/07/66/1297480766.db2.gz CUYIWIMOQRIAND-KRWDZBQOSA-N 2 0 349.475 2.128 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218376991 1297646814 /nfs/dbraw/zinc/64/68/14/1297646814.db2.gz KHEDZIICPXCXMK-ZWKOTPCHSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001073904794 1297676180 /nfs/dbraw/zinc/67/61/80/1297676180.db2.gz NMPCYVJGIVBXFY-KRWDZBQOSA-N 2 0 349.475 2.128 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521450 1299181041 /nfs/dbraw/zinc/18/10/41/1299181041.db2.gz RINTYYXTBIGHNK-MHORFTMASA-N 2 0 331.504 2.073 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001223578408 1300180237 /nfs/dbraw/zinc/18/02/37/1300180237.db2.gz WPRTZZPEPCRZLX-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059297 1300219334 /nfs/dbraw/zinc/21/93/34/1300219334.db2.gz JZRAIAQXELJEAP-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375691 1300954743 /nfs/dbraw/zinc/95/47/43/1300954743.db2.gz XGIXWVMCMQLBMZ-UKRRQHHQSA-N 2 0 329.916 2.401 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229231706 1302686824 /nfs/dbraw/zinc/68/68/24/1302686824.db2.gz TYBFLJMWQNDGQF-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001229610664 1302887209 /nfs/dbraw/zinc/88/72/09/1302887209.db2.gz RFAGZTNNSJLMJT-UHFFFAOYSA-N 2 0 345.487 2.145 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495868 1303035715 /nfs/dbraw/zinc/03/57/15/1303035715.db2.gz WPCUXAJSIHPRAK-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111817080 1303934692 /nfs/dbraw/zinc/93/46/92/1303934692.db2.gz MXSRYOSKHYQMMR-RXVVDRJESA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001111817086 1303935047 /nfs/dbraw/zinc/93/50/47/1303935047.db2.gz NHHQNOSJRBRBKD-PXNSSMCTSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115730226 1305682219 /nfs/dbraw/zinc/68/22/19/1305682219.db2.gz GEJBMMROYJKVAE-AWEZNQCLSA-N 2 0 327.900 2.489 20 30 EEEDRP C[NH+](C)[C@@H]1CCN(c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cn2)C1 ZINC001240355898 1309311522 /nfs/dbraw/zinc/31/15/22/1309311522.db2.gz LYRXYYYEBNWJQS-HXUWFJFHSA-N 2 0 347.466 2.447 20 30 EEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246008174 1310207923 /nfs/dbraw/zinc/20/79/23/1310207923.db2.gz OXIBHJJRDJIHTG-SJORKVTESA-N 2 0 329.529 2.451 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246422547 1310307597 /nfs/dbraw/zinc/30/75/97/1310307597.db2.gz JIFXUEWFPXPNJC-SJORKVTESA-N 2 0 332.879 2.195 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)CC1 ZINC001140114748 1314812404 /nfs/dbraw/zinc/81/24/04/1314812404.db2.gz YGYYCPHZTQWPDP-UHFFFAOYSA-N 2 0 337.471 2.251 20 30 EEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155314244 1317548002 /nfs/dbraw/zinc/54/80/02/1317548002.db2.gz RTFDSTRWBQGXIU-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724116 1319402890 /nfs/dbraw/zinc/40/28/90/1319402890.db2.gz ZMZCLPOGCUGHEZ-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP N#Cc1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001159631340 1319926234 /nfs/dbraw/zinc/92/62/34/1319926234.db2.gz NXCNCFCSTVGTIZ-UHFFFAOYSA-N 2 0 347.466 2.394 20 30 EEEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001159839233 1320002307 /nfs/dbraw/zinc/00/23/07/1320002307.db2.gz VHIVFMVNUPAKDT-HXUWFJFHSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466832 1320169555 /nfs/dbraw/zinc/16/95/55/1320169555.db2.gz KPBIKKBFNHPESX-MOPGFXCFSA-N 2 0 329.488 2.165 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994111 1320711492 /nfs/dbraw/zinc/71/14/92/1320711492.db2.gz UGYSPNNDZTVZCP-UHFFFAOYSA-N 2 0 331.504 2.414 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001162928686 1320990379 /nfs/dbraw/zinc/99/03/79/1320990379.db2.gz NFFAJCVOSRFEFM-SFHVURJKSA-N 2 0 329.488 2.318 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982558 1321004452 /nfs/dbraw/zinc/00/44/52/1321004452.db2.gz HXNZWJCCQFVUJC-UHFFFAOYSA-N 2 0 329.488 2.012 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001164449382 1321381871 /nfs/dbraw/zinc/38/18/71/1321381871.db2.gz JZFHFEFOPWIOPY-IBGZPJMESA-N 2 0 342.487 2.276 20 30 EEEDRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001165728839 1321574350 /nfs/dbraw/zinc/57/43/50/1321574350.db2.gz VQDYQQNQXMKLOG-GOSISDBHSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203556996 1321911847 /nfs/dbraw/zinc/91/18/47/1321911847.db2.gz MPWAMLQWRFRPDC-ROUUACIJSA-N 2 0 331.504 2.147 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307221 1322347278 /nfs/dbraw/zinc/34/72/78/1322347278.db2.gz VVOQICYWVWCFDQ-RBUKOAKNSA-N 2 0 345.462 2.075 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001206307418 1323451863 /nfs/dbraw/zinc/45/18/63/1323451863.db2.gz HBABCNUQITWOGJ-UHFFFAOYSA-N 2 0 341.499 2.012 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001210218192 1325204586 /nfs/dbraw/zinc/20/45/86/1325204586.db2.gz PLPIASWGIYZJPS-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001338693062 1336895012 /nfs/dbraw/zinc/89/50/12/1336895012.db2.gz IYHBBOQNZQHCKZ-KRWDZBQOSA-N 2 0 346.523 2.195 20 30 EEEDRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001100683867 1338636262 /nfs/dbraw/zinc/63/62/62/1338636262.db2.gz WAWYGFXOTLUNDU-PVARCSIZSA-N 2 0 346.450 2.022 20 30 EEEDRP C#CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC001574590605 1343686172 /nfs/dbraw/zinc/68/61/72/1343686172.db2.gz GOMLFIDZFALZGC-SFHVURJKSA-N 2 0 336.524 2.140 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098571212 1370983738 /nfs/dbraw/zinc/98/37/38/1370983738.db2.gz OCFACLTWTFFDAW-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001366513404 1373928700 /nfs/dbraw/zinc/92/87/00/1373928700.db2.gz RCOJSAABSKQZHA-OAHLLOKOSA-N 2 0 348.516 2.480 20 30 EEEDRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001372479674 1376030599 /nfs/dbraw/zinc/03/05/99/1376030599.db2.gz GPTHNFRZEJZPLT-UHFFFAOYSA-N 2 0 342.487 2.372 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001375520351 1377811459 /nfs/dbraw/zinc/81/14/59/1377811459.db2.gz XKNKKLCBOZORND-OTWHNJEPSA-N 2 0 342.487 2.129 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001377002861 1378911274 /nfs/dbraw/zinc/91/12/74/1378911274.db2.gz XLWRUMNNIWFPRT-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392234554 1389916893 /nfs/dbraw/zinc/91/68/93/1389916893.db2.gz OVDWHVKFZZLMRV-QGZVFWFLSA-N 2 0 348.516 2.334 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001392769768 1390190388 /nfs/dbraw/zinc/19/03/88/1390190388.db2.gz ZQBRJDQVWMHXDY-SFHVURJKSA-N 2 0 340.471 2.027 20 30 EEEDRP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC001399658201 1395368343 /nfs/dbraw/zinc/36/83/43/1395368343.db2.gz XKIMMGGWKCZHND-UHFFFAOYSA-N 2 0 346.450 2.121 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401246495 1397079906 /nfs/dbraw/zinc/07/99/06/1397079906.db2.gz SLXNWVXYYSDBCE-MRXNPFEDSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423389931 1400565757 /nfs/dbraw/zinc/56/57/57/1400565757.db2.gz PXPIWCLVRQRYQL-GJZGRUSLSA-N 2 0 348.516 2.336 20 30 EEEDRP C#CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC001574517328 1403522228 /nfs/dbraw/zinc/52/22/28/1403522228.db2.gz MHOAHHHQCXPLMO-ICSRJNTNSA-N 2 0 325.456 2.085 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001755708192 1407761705 /nfs/dbraw/zinc/76/17/05/1407761705.db2.gz LEZWXQVGAWVBTM-YSIASYRMSA-N 2 0 345.531 2.491 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001755770233 1407830977 /nfs/dbraw/zinc/83/09/77/1407830977.db2.gz QJZDZDCXZFVODB-KBPBESRZSA-N 2 0 335.414 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2CC)CC1 ZINC001087839338 782350738 /nfs/dbraw/zinc/35/07/38/782350738.db2.gz VIEOWWZYVJEMFA-RBUKOAKNSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001104450749 760906878 /nfs/dbraw/zinc/90/68/78/760906878.db2.gz IIAFGTUTKCANFE-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087313905 761597847 /nfs/dbraw/zinc/59/78/47/761597847.db2.gz BQHFFKPYFABCNM-ZACQAIPSSA-N 2 0 331.504 2.264 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752503 765192229 /nfs/dbraw/zinc/19/22/29/765192229.db2.gz FYUPHIHFBVLCQY-GUDVDZBRSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510115 770042615 /nfs/dbraw/zinc/04/26/15/770042615.db2.gz MTIDFZQQNOARBG-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCCC)C[C@@H]3C2)CC1 ZINC000980257923 774203252 /nfs/dbraw/zinc/20/32/52/774203252.db2.gz VRDGBUZVOOBEMU-HSALFYBXSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531804 790358481 /nfs/dbraw/zinc/35/84/81/790358481.db2.gz IXONNERSDGYOLS-FXAWDEMLSA-N 2 0 343.471 2.209 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)cc1 ZINC001027971559 775434681 /nfs/dbraw/zinc/43/46/81/775434681.db2.gz HJRMQPNZWOBLEO-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001089825265 777110718 /nfs/dbraw/zinc/11/07/18/777110718.db2.gz ASVLHIKBVPURQZ-MCNSXXNHSA-N 2 0 348.450 2.369 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CN2CCCC2)on1 ZINC001028140168 778369057 /nfs/dbraw/zinc/36/90/57/778369057.db2.gz XMVMEVZTGMHDAR-MRXNPFEDSA-N 2 0 346.475 2.431 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)C(C)C ZINC001135478244 783870088 /nfs/dbraw/zinc/87/00/88/783870088.db2.gz YLLJLBINOMFTSE-IBGZPJMESA-N 2 0 347.478 2.249 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035188603 784069323 /nfs/dbraw/zinc/06/93/23/784069323.db2.gz GNGIHJIPUPVSCO-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233811 784147264 /nfs/dbraw/zinc/14/72/64/784147264.db2.gz NBTOKRBGMONDQS-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744209 784352077 /nfs/dbraw/zinc/35/20/77/784352077.db2.gz XTFSMKGCCJPGML-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035835710 785256533 /nfs/dbraw/zinc/25/65/33/785256533.db2.gz ANVKQNMUVDDPDM-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035856849 785296746 /nfs/dbraw/zinc/29/67/46/785296746.db2.gz WAIAVCXRSIGAIF-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1)[NH+](C)C ZINC000996313931 786253939 /nfs/dbraw/zinc/25/39/39/786253939.db2.gz GRHBDRYSMDMGEP-ROUUACIJSA-N 2 0 342.487 2.225 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC000997010209 788457397 /nfs/dbraw/zinc/45/73/97/788457397.db2.gz RKGLDXHLCKKTRS-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000923376157 789458841 /nfs/dbraw/zinc/45/88/41/789458841.db2.gz UVLONBNRJKWUIZ-KBAYOESNSA-N 2 0 348.487 2.080 20 30 EEEDRP C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923389291 789485242 /nfs/dbraw/zinc/48/52/42/789485242.db2.gz NVYPZUAEZWHNLB-SZVBFZGTSA-N 2 0 331.460 2.137 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001146341446 791214267 /nfs/dbraw/zinc/21/42/67/791214267.db2.gz YMGSNYHYKHAQHJ-MSOLQXFVSA-N 2 0 327.472 2.007 20 30 EEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292678 792330704 /nfs/dbraw/zinc/33/07/04/792330704.db2.gz POVNESHCRHLPEE-QZTJIDSGSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942514 793035455 /nfs/dbraw/zinc/03/54/55/793035455.db2.gz UHNSMLSFYYGGFP-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992311767 793628947 /nfs/dbraw/zinc/62/89/47/793628947.db2.gz BRGNOUGMRVGKRY-AZUAARDMSA-N 2 0 325.456 2.108 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000999390240 794402057 /nfs/dbraw/zinc/40/20/57/794402057.db2.gz FNOVETFOJOFSIV-UXHICEINSA-N 2 0 339.483 2.173 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976753 795126055 /nfs/dbraw/zinc/12/60/55/795126055.db2.gz ZTHJMJJXLGAIBX-HZPDHXFCSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001093400332 795178425 /nfs/dbraw/zinc/17/84/25/795178425.db2.gz RKWQHROJLFGVNA-FDYSRKEFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199998 795240184 /nfs/dbraw/zinc/24/01/84/795240184.db2.gz UQOPJNBYRCZRMT-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001108010042 795502100 /nfs/dbraw/zinc/50/21/00/795502100.db2.gz LOONKSFJBHHXOO-HKUYNNGSSA-N 2 0 348.491 2.254 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902322 796439976 /nfs/dbraw/zinc/43/99/76/796439976.db2.gz IYXONHUYPABLMX-UYAOXDASSA-N 2 0 339.483 2.308 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171498982 796605884 /nfs/dbraw/zinc/60/58/84/796605884.db2.gz DKEKNXZFYUUXCR-ZIAGYGMSSA-N 2 0 348.329 2.500 20 30 EEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171771695 796728210 /nfs/dbraw/zinc/72/82/10/796728210.db2.gz HGLZWFQIMRXGKW-HNNXBMFYSA-N 2 0 327.432 2.332 20 30 EEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993570488 796828587 /nfs/dbraw/zinc/82/85/87/796828587.db2.gz HNBSUIHCTZONJO-WBVHZDCISA-N 2 0 339.443 2.426 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078725998 796885834 /nfs/dbraw/zinc/88/58/34/796885834.db2.gz QALHYNMPRPNJAR-CABCVRRESA-N 2 0 339.911 2.488 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757672 796936814 /nfs/dbraw/zinc/93/68/14/796936814.db2.gz YURPXGMXMTUXGP-HOTGVXAUSA-N 2 0 339.911 2.488 20 30 EEEDRP C[C@@H](CCCC#N)[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001172498937 797009631 /nfs/dbraw/zinc/00/96/31/797009631.db2.gz PKTRKQUMMLQFOE-INIZCTEOSA-N 2 0 333.480 2.249 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993818420 797047673 /nfs/dbraw/zinc/04/76/73/797047673.db2.gz FTIJAGRTJPSBKW-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP CNC(=O)CN1CCCC12CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173335879 797365224 /nfs/dbraw/zinc/36/52/24/797365224.db2.gz FTPWSZWUEQZPKB-UHFFFAOYSA-N 2 0 332.492 2.135 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423272 797443157 /nfs/dbraw/zinc/44/31/57/797443157.db2.gz HZWMOCKPKQDHQG-QGZVFWFLSA-N 2 0 340.471 2.094 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558139 797587772 /nfs/dbraw/zinc/58/77/72/797587772.db2.gz ATZRFMXKRQZTIL-FVQBIDKESA-N 2 0 327.900 2.438 20 30 EEEDRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001082724049 797664513 /nfs/dbraw/zinc/66/45/13/797664513.db2.gz AWIYITDUAXGXRO-ATZDWAIDSA-N 2 0 342.487 2.081 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504680 798103799 /nfs/dbraw/zinc/10/37/99/798103799.db2.gz XWGLXKUVCIZRIK-MJGOQNOKSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383413 798283679 /nfs/dbraw/zinc/28/36/79/798283679.db2.gz YGEIACDHXHOSEF-ZWKOTPCHSA-N 2 0 333.520 2.489 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176758420 798570994 /nfs/dbraw/zinc/57/09/94/798570994.db2.gz BKDOOZRVIBGMTE-MSOLQXFVSA-N 2 0 339.524 2.328 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001177466656 798951762 /nfs/dbraw/zinc/95/17/62/798951762.db2.gz AIWVQGMUZVMUPX-UHFFFAOYSA-N 2 0 330.476 2.319 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001178045950 799231537 /nfs/dbraw/zinc/23/15/37/799231537.db2.gz ZXXDINMKWMJCRP-IBGZPJMESA-N 2 0 342.487 2.419 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001178509538 799503971 /nfs/dbraw/zinc/50/39/71/799503971.db2.gz PZTRNVGEQMGZIK-UHFFFAOYSA-N 2 0 349.523 2.291 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947011 799711842 /nfs/dbraw/zinc/71/18/42/799711842.db2.gz BXFOBSYRYKZVIR-UHFFFAOYSA-N 2 0 344.459 2.417 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781865 801244558 /nfs/dbraw/zinc/24/45/58/801244558.db2.gz HHLMMHZJHRZKMQ-OALUTQOASA-N 2 0 331.504 2.340 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001183582361 801658384 /nfs/dbraw/zinc/65/83/84/801658384.db2.gz WFAKKRVYVMQFOB-SJLPKXTDSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457423 802118299 /nfs/dbraw/zinc/11/82/99/802118299.db2.gz KQFSXIIQPIRTIV-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001185072717 802336571 /nfs/dbraw/zinc/33/65/71/802336571.db2.gz JOFZAOJTCHDZHH-LSDHHAIUSA-N 2 0 348.516 2.146 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642288 802550127 /nfs/dbraw/zinc/55/01/27/802550127.db2.gz CKHXXBWFEWJULP-YRPNKDGESA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809510 804085843 /nfs/dbraw/zinc/08/58/43/804085843.db2.gz IESOJBIYLLPPSW-AZUAARDMSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108775762 804481145 /nfs/dbraw/zinc/48/11/45/804481145.db2.gz IFXKQKHBAHZFJC-SXLOBPIMSA-N 2 0 339.483 2.354 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001108796254 804518282 /nfs/dbraw/zinc/51/82/82/804518282.db2.gz IGOBTWVARXVANW-IHPCNDPISA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(C)CC[NH+]1CCN(C(=O)CN(C)CCc2ccccc2)CC1 ZINC001113355590 808795405 /nfs/dbraw/zinc/79/54/05/808795405.db2.gz CABSWSRWQDYJDW-UHFFFAOYSA-N 2 0 329.488 2.271 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130430772 811629016 /nfs/dbraw/zinc/62/90/16/811629016.db2.gz IFINQDXOCPUVKX-WBVHZDCISA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCCC[NH+](C)C)C1 ZINC001130444148 811650649 /nfs/dbraw/zinc/65/06/49/811650649.db2.gz ZWWWSPDQTKEFLW-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C[NH+]1CCC(CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC001439653978 1092580332 /nfs/dbraw/zinc/58/03/32/1092580332.db2.gz FFAYPUMLRIWLLF-UHFFFAOYSA-N 2 0 346.500 2.090 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001440398414 1093580136 /nfs/dbraw/zinc/58/01/36/1093580136.db2.gz RQEJJRWCJWWJTQ-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001448973120 1093977400 /nfs/dbraw/zinc/97/74/00/1093977400.db2.gz DTGPPWZLJYQAPM-ZIAGYGMSSA-N 2 0 346.313 2.206 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498043304 1106824968 /nfs/dbraw/zinc/82/49/68/1106824968.db2.gz FWYJXCWKEMCQJV-AWEZNQCLSA-N 2 0 348.516 2.479 20 30 EEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000447526689 283056013 /nfs/dbraw/zinc/05/60/13/283056013.db2.gz CDFFJUBPCWRFGM-QZTJIDSGSA-N 2 0 342.491 2.051 20 30 EEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978739 240315286 /nfs/dbraw/zinc/31/52/86/240315286.db2.gz KLCGPSDTWJEKAK-DNMXQMFDSA-N 2 0 346.450 2.008 20 30 EEEDRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422979211 240316207 /nfs/dbraw/zinc/31/62/07/240316207.db2.gz MAAXMVURRLGEED-CVEARBPZSA-N 2 0 334.439 2.010 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)CC1 ZINC000491678346 246107007 /nfs/dbraw/zinc/10/70/07/246107007.db2.gz AVLNQTMGUSRSPV-UHFFFAOYSA-N 2 0 343.471 2.219 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000487746984 285249558 /nfs/dbraw/zinc/24/95/58/285249558.db2.gz DXIBDFLKHCLDOR-CQSZACIVSA-N 2 0 334.489 2.108 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCOc1cccc(C#N)c1 ZINC000374419982 167038993 /nfs/dbraw/zinc/03/89/93/167038993.db2.gz JULMSAHLAZLUPY-NZSAHSFTSA-N 2 0 329.444 2.121 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000068311259 463120041 /nfs/dbraw/zinc/12/00/41/463120041.db2.gz UBZSJFFNZLNSKW-UHFFFAOYSA-N 2 0 345.462 2.061 20 30 EEEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123395845 463338938 /nfs/dbraw/zinc/33/89/38/463338938.db2.gz UAJDDMNHIRUAGC-VQIMIIECSA-N 2 0 336.524 2.483 20 30 EEEDRP C=CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OC ZINC000105477089 463453871 /nfs/dbraw/zinc/45/38/71/463453871.db2.gz AVSULZFCCOGTLB-UHFFFAOYSA-N 2 0 347.503 2.377 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000057138376 463455595 /nfs/dbraw/zinc/45/55/95/463455595.db2.gz NLVHJNZARKWBKE-UHFFFAOYSA-N 2 0 339.483 2.244 20 30 EEEDRP CCCn1ccnc1CCC[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000277138255 463886725 /nfs/dbraw/zinc/88/67/25/463886725.db2.gz IXGYTQBZHIWDPE-INIZCTEOSA-N 2 0 333.480 2.166 20 30 EEEDRP C=CCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OC ZINC000185877350 463897711 /nfs/dbraw/zinc/89/77/11/463897711.db2.gz JSMQNOAWFJDBMG-QGZVFWFLSA-N 2 0 347.503 2.376 20 30 EEEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277601647 463922227 /nfs/dbraw/zinc/92/22/27/463922227.db2.gz WXXRPFPIDBKPSJ-KRWDZBQOSA-N 2 0 330.476 2.159 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000264095057 464282167 /nfs/dbraw/zinc/28/21/67/464282167.db2.gz LVKGDVJNMLHTJS-HNNXBMFYSA-N 2 0 348.491 2.373 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)nc1 ZINC000264110646 464283078 /nfs/dbraw/zinc/28/30/78/464283078.db2.gz QSLKUMGKFYBGQZ-INIZCTEOSA-N 2 0 345.491 2.292 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)C(C)C)cc1 ZINC000264153323 464288396 /nfs/dbraw/zinc/28/83/96/464288396.db2.gz ZVZSISLRHKNUPC-KRWDZBQOSA-N 2 0 345.491 2.170 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658407 465463242 /nfs/dbraw/zinc/46/32/42/465463242.db2.gz HLAJFIPZFXGMHL-HKUYNNGSSA-N 2 0 348.535 2.469 20 30 EEEDRP Cc1nn(C)c(C)c1NC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000329939962 465480564 /nfs/dbraw/zinc/48/05/64/465480564.db2.gz FWZZXJYWRXMDBX-WFASDCNBSA-N 2 0 330.436 2.405 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)C(C)C ZINC000343444308 465517217 /nfs/dbraw/zinc/51/72/17/465517217.db2.gz NESUZOCCWIAOCQ-SFHVURJKSA-N 2 0 334.508 2.246 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000341099954 466583967 /nfs/dbraw/zinc/58/39/67/466583967.db2.gz MMWKYPAJKKPUBP-GOSISDBHSA-N 2 0 334.508 2.297 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000417057540 466766505 /nfs/dbraw/zinc/76/65/05/466766505.db2.gz BUTUMQYOLBVJMA-WJFTUGDTSA-N 2 0 348.535 2.454 20 30 EEEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000378150544 467212068 /nfs/dbraw/zinc/21/20/68/467212068.db2.gz LYYCQNSBODZZRD-FQEVSTJZSA-N 2 0 343.471 2.026 20 30 EEEDRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440656 468588584 /nfs/dbraw/zinc/58/85/84/468588584.db2.gz HKCMOTPGIZJRSF-IBGZPJMESA-N 2 0 342.487 2.487 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000600742186 468645403 /nfs/dbraw/zinc/64/54/03/468645403.db2.gz BBLZVDOKFODEBI-LJQANCHMSA-N 2 0 343.471 2.010 20 30 EEEDRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315542 468936424 /nfs/dbraw/zinc/93/64/24/468936424.db2.gz LEVNTQUOGCCKQO-JENIJYKNSA-N 2 0 329.444 2.285 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000764473303 577736976 /nfs/dbraw/zinc/73/69/76/577736976.db2.gz RJCGWVNXAMZJPI-UHFFFAOYSA-N 2 0 329.488 2.271 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)C(C)C ZINC000891939756 677721127 /nfs/dbraw/zinc/72/11/27/677721127.db2.gz DUKWSQYVBTVFLM-KSZLIROESA-N 2 0 334.508 2.031 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001022596755 677976434 /nfs/dbraw/zinc/97/64/34/677976434.db2.gz SJXSSTUOKZIFOI-STEAMIEHSA-N 2 0 340.471 2.025 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001025227904 682257360 /nfs/dbraw/zinc/25/73/60/682257360.db2.gz UDPPYJXVKNHRCX-IAGOWNOFSA-N 2 0 328.460 2.211 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557145 682994923 /nfs/dbraw/zinc/99/49/23/682994923.db2.gz FCLYREGYCCKEPT-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000983902136 683749383 /nfs/dbraw/zinc/74/93/83/683749383.db2.gz RXVKUOVKBAXMMQ-SZMVWBNQSA-N 2 0 345.512 2.139 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001029844223 687306140 /nfs/dbraw/zinc/30/61/40/687306140.db2.gz YSDCQZLONUSWKN-MOPGFXCFSA-N 2 0 342.487 2.179 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC000978524116 693657522 /nfs/dbraw/zinc/65/75/22/693657522.db2.gz GMKYVKUZJXOELN-OWZKRDHZSA-N 2 0 341.499 2.274 20 30 EEEDRP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001409959786 1194347879 /nfs/dbraw/zinc/34/78/79/1194347879.db2.gz JIIVGVKPZGABDA-BEFAXECRSA-N 2 0 342.487 2.081 20 30 EEEDRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005179915 1194668254 /nfs/dbraw/zinc/66/82/54/1194668254.db2.gz OZQZIZPPKVCUHW-KRWDZBQOSA-N 2 0 346.500 2.137 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898742 1195467052 /nfs/dbraw/zinc/46/70/52/1195467052.db2.gz YVXOUEOAJKBWOB-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001033934999 1195543927 /nfs/dbraw/zinc/54/39/27/1195543927.db2.gz BAHGIZVDTDJLAQ-SJLPKXTDSA-N 2 0 330.476 2.253 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001034537809 1196359685 /nfs/dbraw/zinc/35/96/85/1196359685.db2.gz DLKDACXMBXTANU-ZWKOTPCHSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CCN1CC2(CCC1=O)CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273144284 1197014521 /nfs/dbraw/zinc/01/45/21/1197014521.db2.gz OUFLDCHXPPVVEP-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086711771 1199041362 /nfs/dbraw/zinc/04/13/62/1199041362.db2.gz ASFKDFVCJSJYID-ARFHVFGLSA-N 2 0 327.900 2.488 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411392 1199681655 /nfs/dbraw/zinc/68/16/55/1199681655.db2.gz ZDARCUQIMXBZTA-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518791 1199802864 /nfs/dbraw/zinc/80/28/64/1199802864.db2.gz OGHBCMAJIMBMSC-PKOBYXMFSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132931912 1200208754 /nfs/dbraw/zinc/20/87/54/1200208754.db2.gz FSPPSVNGFBQNPJ-MSOLQXFVSA-N 2 0 342.487 2.005 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCCC=C)C2)CC1 ZINC001133336555 1200760093 /nfs/dbraw/zinc/76/00/93/1200760093.db2.gz CGHJAAXZGHIMOK-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](CC)CC ZINC001133684485 1201189660 /nfs/dbraw/zinc/18/96/60/1201189660.db2.gz IIKDHXRIIBKRGG-QGZVFWFLSA-N 2 0 334.439 2.024 20 30 EEEDRP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000130681852 1201993298 /nfs/dbraw/zinc/99/32/98/1201993298.db2.gz CURWDADWPNAQQW-HKUYNNGSSA-N 2 0 336.524 2.110 20 30 EEEDRP C=CCCCC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001274974817 1205222980 /nfs/dbraw/zinc/22/29/80/1205222980.db2.gz PBAWDLZZRUBJPD-GBESFXJTSA-N 2 0 331.504 2.360 20 30 EEEDRP C=CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001275960517 1205604127 /nfs/dbraw/zinc/60/41/27/1205604127.db2.gz XJQHBZWIGIFPCZ-KDURUIRLSA-N 2 0 329.488 2.462 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4cocn4)C[C@H]3CC2)cc1C#N ZINC001276237999 1205848454 /nfs/dbraw/zinc/84/84/54/1205848454.db2.gz BREDQGUAVAJUBS-CALCHBBNSA-N 2 0 339.443 2.229 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001276241929 1205850347 /nfs/dbraw/zinc/85/03/47/1205850347.db2.gz CCERQGBFGIMINS-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934877 1206315312 /nfs/dbraw/zinc/31/53/12/1206315312.db2.gz PWVZTPBUFWOBRO-MANSERQUSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000778156275 1207727141 /nfs/dbraw/zinc/72/71/41/1207727141.db2.gz RUPHVMDKZCCNQR-UHFFFAOYSA-N 2 0 349.906 2.469 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948078892 1208859779 /nfs/dbraw/zinc/85/97/79/1208859779.db2.gz PTNDTVRSFTTZRT-JKSUJKDBSA-N 2 0 331.460 2.337 20 30 EEEDRP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710377 1209316456 /nfs/dbraw/zinc/31/64/56/1209316456.db2.gz APNZYKIKCKVGSJ-RBUKOAKNSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726655 1209329599 /nfs/dbraw/zinc/32/95/99/1209329599.db2.gz WZFWBGUDAUDTTF-KRWDZBQOSA-N 2 0 331.460 2.291 20 30 EEEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000304761690 1216104457 /nfs/dbraw/zinc/10/44/57/1216104457.db2.gz UTHMFONDDUDFMU-MRXNPFEDSA-N 2 0 344.503 2.190 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961195413 1217081969 /nfs/dbraw/zinc/08/19/69/1217081969.db2.gz BNRCOVFGHGKZLR-ZWKOTPCHSA-N 2 0 336.439 2.142 20 30 EEEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961220268 1217095143 /nfs/dbraw/zinc/09/51/43/1217095143.db2.gz KICZACFPSBFTFO-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961277058 1217123451 /nfs/dbraw/zinc/12/34/51/1217123451.db2.gz AGEJWXCNNFMQFN-IAGOWNOFSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292532 1217132031 /nfs/dbraw/zinc/13/20/31/1217132031.db2.gz JQFXRFVZGDWJBF-WOJBJXKFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379024 1217166117 /nfs/dbraw/zinc/16/61/17/1217166117.db2.gz PPKRQVGMDIDABP-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961405133 1217177433 /nfs/dbraw/zinc/17/74/33/1217177433.db2.gz JALGXNLWSIJLAO-AZUAARDMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961433191 1217188083 /nfs/dbraw/zinc/18/80/83/1217188083.db2.gz UKSRIRSYKMPXIU-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963327950 1217522616 /nfs/dbraw/zinc/52/26/16/1217522616.db2.gz JJJDNCJMVGSCKQ-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963365773 1217561641 /nfs/dbraw/zinc/56/16/41/1217561641.db2.gz HTGFZODFLKNJHS-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393946 1217591503 /nfs/dbraw/zinc/59/15/03/1217591503.db2.gz ZXPHRRGECBGHAI-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001037848578 1219487719 /nfs/dbraw/zinc/48/77/19/1219487719.db2.gz IHINVKJNMWKKPI-ZBFHGGJFSA-N 2 0 333.501 2.273 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016631499 1226706702 /nfs/dbraw/zinc/70/67/02/1226706702.db2.gz SSLMRKCIFCKCCM-ARFHVFGLSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001020250806 1229583052 /nfs/dbraw/zinc/58/30/52/1229583052.db2.gz RUEXFBCZSSLRDC-UFYCRDLUSA-N 2 0 339.483 2.138 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040232775 1231120157 /nfs/dbraw/zinc/12/01/57/1231120157.db2.gz UEGBKAAHMAUOQU-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240494 1231125063 /nfs/dbraw/zinc/12/50/63/1231125063.db2.gz HDFOIFISPBPODR-TZIWHRDSSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040356227 1231185045 /nfs/dbraw/zinc/18/50/45/1231185045.db2.gz GVFBDVOWTPEXJA-FQEVSTJZSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040497030 1231263515 /nfs/dbraw/zinc/26/35/15/1231263515.db2.gz POSQMDCBYWNVFA-IBGZPJMESA-N 2 0 331.504 2.363 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953651 1231408888 /nfs/dbraw/zinc/40/88/88/1231408888.db2.gz RAFHVMJVBBQKJY-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357664 1231519170 /nfs/dbraw/zinc/51/91/70/1231519170.db2.gz IBKHVXMDUHMSBF-QUCCMNQESA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041845348 1231728949 /nfs/dbraw/zinc/72/89/49/1231728949.db2.gz WWBMWCYFVRBQGF-NRFANRHFSA-N 2 0 339.483 2.310 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308559 1232019335 /nfs/dbraw/zinc/01/93/35/1232019335.db2.gz WMBLQNZIBDTIMS-QUCCMNQESA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001044670754 1233166532 /nfs/dbraw/zinc/16/65/32/1233166532.db2.gz GIZNPMNHMHPXSY-GJZGRUSLSA-N 2 0 325.416 2.036 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045093044 1233497091 /nfs/dbraw/zinc/49/70/91/1233497091.db2.gz LESOKZQZAFLMKL-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045940946 1234198095 /nfs/dbraw/zinc/19/80/95/1234198095.db2.gz GASVRHMBYMYKSC-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961898 1234237955 /nfs/dbraw/zinc/23/79/55/1234237955.db2.gz UHTHFCBGVJAFRH-IRFCIJBXSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970314 1234253607 /nfs/dbraw/zinc/25/36/07/1234253607.db2.gz DNUUAVMCPFXAFJ-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977741 1234264946 /nfs/dbraw/zinc/26/49/46/1234264946.db2.gz HOCAIKWZRDRGDH-NRFANRHFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001046849892 1235247066 /nfs/dbraw/zinc/24/70/66/1235247066.db2.gz LOBAKNQJEPXWPV-IBGZPJMESA-N 2 0 345.512 2.174 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001047244669 1235736852 /nfs/dbraw/zinc/73/68/52/1235736852.db2.gz UJHXJCWJTYCCDJ-GOSISDBHSA-N 2 0 342.487 2.316 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048912210 1239234429 /nfs/dbraw/zinc/23/44/29/1239234429.db2.gz GFYDJTAVPFFLNX-IXDOHACOSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000154968 1240005292 /nfs/dbraw/zinc/00/52/92/1240005292.db2.gz QCMNSFQISDFBDM-IEBWSBKVSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820684 1242305263 /nfs/dbraw/zinc/30/52/63/1242305263.db2.gz MEIDMFQQDHBZAQ-OALUTQOASA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821033 1242308146 /nfs/dbraw/zinc/30/81/46/1242308146.db2.gz QXTNCTTWIBMIHZ-RBUKOAKNSA-N 2 0 331.504 2.195 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050140237 1242965960 /nfs/dbraw/zinc/96/59/60/1242965960.db2.gz KJUGTBPSCPTSNQ-QKLQHJQFSA-N 2 0 349.494 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCC2CC2)CC3)CC1 ZINC001050765446 1244318062 /nfs/dbraw/zinc/31/80/62/1244318062.db2.gz QDPUYGBELBXQCI-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)cccc2C1 ZINC001051288889 1245482585 /nfs/dbraw/zinc/48/25/85/1245482585.db2.gz ZAZCIHHPKXTRES-HXUWFJFHSA-N 2 0 339.483 2.167 20 30 EEEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)O2 ZINC001053605834 1246522754 /nfs/dbraw/zinc/52/27/54/1246522754.db2.gz MTCHKEKXQBBXPO-MSOLQXFVSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164926 1247581212 /nfs/dbraw/zinc/58/12/12/1247581212.db2.gz XEZDWFDXXJCDAS-HXUWFJFHSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182883 1247639485 /nfs/dbraw/zinc/63/94/85/1247639485.db2.gz TUAXFHCBPXHPHL-CTNGQTDRSA-N 2 0 345.531 2.446 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001101039475 1259602773 /nfs/dbraw/zinc/60/27/73/1259602773.db2.gz NIJGOCYAFCOKGX-UHFFFAOYSA-N 2 0 345.462 2.002 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC001193621867 1282603217 /nfs/dbraw/zinc/60/32/17/1282603217.db2.gz IRADQJOJPISBBK-KRWDZBQOSA-N 2 0 346.450 2.072 20 30 EEEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001216464404 1297180436 /nfs/dbraw/zinc/18/04/36/1297180436.db2.gz PCRMLMULAHVLAE-UYAOXDASSA-N 2 0 341.499 2.207 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CCCO1 ZINC001201669044 1289708384 /nfs/dbraw/zinc/70/83/84/1289708384.db2.gz OKCOAXYDPQHMSF-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201811956 1289762433 /nfs/dbraw/zinc/76/24/33/1289762433.db2.gz YZBKQDRAXZNFAN-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599703 1297295048 /nfs/dbraw/zinc/29/50/48/1297295048.db2.gz LHTPOVCFKLBTFQ-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742931 1297474632 /nfs/dbraw/zinc/47/46/32/1297474632.db2.gz JFDMIKCSFFCNGE-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218552280 1297709054 /nfs/dbraw/zinc/70/90/54/1297709054.db2.gz DIVHGWUMFSAQDH-IJLUTSLNSA-N 2 0 332.473 2.228 20 30 EEEDRP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344720 1298367704 /nfs/dbraw/zinc/36/77/04/1298367704.db2.gz HJXMUAAFFVXIKG-KURKYZTESA-N 2 0 341.540 2.239 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001220868310 1298566836 /nfs/dbraw/zinc/56/68/36/1298566836.db2.gz GEIFLXCUCJLELU-CVEARBPZSA-N 2 0 333.501 2.263 20 30 EEEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+]1CCCC1 ZINC001099555687 1299216948 /nfs/dbraw/zinc/21/69/48/1299216948.db2.gz BROCSMXZJQVDOR-NMLBUPMWSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CCCC[NH+]1CCC2(C=C(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001276978186 1300633240 /nfs/dbraw/zinc/63/32/40/1300633240.db2.gz JRKUDLADXGMBLD-UHFFFAOYSA-N 2 0 343.515 2.413 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571695 1301069088 /nfs/dbraw/zinc/06/90/88/1301069088.db2.gz SQUBNZSVXXVWGV-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028099 1301656090 /nfs/dbraw/zinc/65/60/90/1301656090.db2.gz AFMKBVJFNNRJTL-QZTJIDSGSA-N 2 0 349.519 2.082 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001228365992 1302226784 /nfs/dbraw/zinc/22/67/84/1302226784.db2.gz LEYPMUMCSQBPDJ-QZTJIDSGSA-N 2 0 328.460 2.027 20 30 EEEDRP CCOCC[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277859208 1304939839 /nfs/dbraw/zinc/93/98/39/1304939839.db2.gz WNGNLKKMGNWHEG-UHFFFAOYSA-N 2 0 330.476 2.221 20 30 EEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001235280404 1305176567 /nfs/dbraw/zinc/17/65/67/1305176567.db2.gz JJUKMNLLXIDJNV-OALUTQOASA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120400651 1309510537 /nfs/dbraw/zinc/51/05/37/1309510537.db2.gz DOBZDYSLCWFOSU-ZWKOTPCHSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120400635 1309510603 /nfs/dbraw/zinc/51/06/03/1309510603.db2.gz DOBZDYSLCWFOSU-MSOLQXFVSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470690 1309567067 /nfs/dbraw/zinc/56/70/67/1309567067.db2.gz SVNJDJJJIURCQS-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001121620698 1310074085 /nfs/dbraw/zinc/07/40/85/1310074085.db2.gz RGNXWEQWUPNWHW-UHFFFAOYSA-N 2 0 346.523 2.194 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246314628 1310279493 /nfs/dbraw/zinc/27/94/93/1310279493.db2.gz XTVGHSDAIGAQQN-ULQDDVLXSA-N 2 0 325.497 2.114 20 30 EEEDRP Cc1cc(F)cc(CN(C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)c1 ZINC001246952879 1310475748 /nfs/dbraw/zinc/47/57/48/1310475748.db2.gz ZDDPRXDLQYRVEJ-PKOBYXMFSA-N 2 0 330.451 2.332 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150777918 1316371947 /nfs/dbraw/zinc/37/19/47/1316371947.db2.gz HLUMNFSPSKRREH-SFHVURJKSA-N 2 0 339.524 2.280 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC001152471014 1316676575 /nfs/dbraw/zinc/67/65/75/1316676575.db2.gz IHOOFKQQISFLHL-SFHVURJKSA-N 2 0 346.450 2.024 20 30 EEEDRP N#CC1(c2ccc(F)cc2)CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001254348601 1318048690 /nfs/dbraw/zinc/04/86/90/1318048690.db2.gz UCWZKYOZSBUVFK-UHFFFAOYSA-N 2 0 344.478 2.496 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001157887731 1318918240 /nfs/dbraw/zinc/91/82/40/1318918240.db2.gz YFQSXPAJBUIQPY-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001158397216 1319219822 /nfs/dbraw/zinc/21/98/22/1319219822.db2.gz KDKZZRWMVSALAP-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP CC[NH+](CC)CCC[C@H](C)NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001258903214 1319370599 /nfs/dbraw/zinc/37/05/99/1319370599.db2.gz NMKUFTIUBQKJEE-AWEZNQCLSA-N 2 0 339.505 2.306 20 30 EEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869079 1320009076 /nfs/dbraw/zinc/00/90/76/1320009076.db2.gz SFRNNSCRVZPZDE-FUHWJXTLSA-N 2 0 337.508 2.080 20 30 EEEDRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC001159914516 1320019814 /nfs/dbraw/zinc/01/98/14/1320019814.db2.gz DCLGNTYOMYGJRT-SFHVURJKSA-N 2 0 347.890 2.128 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001160274235 1320119579 /nfs/dbraw/zinc/11/95/79/1320119579.db2.gz RZPICDUGUQTRSG-GOSISDBHSA-N 2 0 328.460 2.029 20 30 EEEDRP C=CCCOc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161449571 1320504644 /nfs/dbraw/zinc/50/46/44/1320504644.db2.gz OLPPSBOFRULOLY-SFHVURJKSA-N 2 0 345.487 2.397 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001162617290 1320913051 /nfs/dbraw/zinc/91/30/51/1320913051.db2.gz FFHHTZYTORAVHK-UHFFFAOYSA-N 2 0 333.395 2.116 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1C#N ZINC001163286199 1321088153 /nfs/dbraw/zinc/08/81/53/1321088153.db2.gz ZQAFQLIGXBIENP-MTPHROMXSA-N 2 0 341.459 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCC(C)C)CC2)CC1 ZINC001203888806 1321983229 /nfs/dbraw/zinc/98/32/29/1321983229.db2.gz QHQUNCHLXSIGMP-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001204299756 1322107345 /nfs/dbraw/zinc/10/73/45/1322107345.db2.gz FZUMOYYKMFPXCK-VQTJNVASSA-N 2 0 329.488 2.462 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865473 1323641078 /nfs/dbraw/zinc/64/10/78/1323641078.db2.gz QPGSHGLBWYVCRD-NRFANRHFSA-N 2 0 341.499 2.315 20 30 EEEDRP C=CCOCc1nn(C)c2c1C[N@@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207482544 1323990316 /nfs/dbraw/zinc/99/03/16/1323990316.db2.gz NJYPAOFKIBJISU-UHFFFAOYSA-N 2 0 332.492 2.213 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208457646 1324507822 /nfs/dbraw/zinc/50/78/22/1324507822.db2.gz YDSCXBDSUWVFDO-HNNXBMFYSA-N 2 0 336.867 2.241 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209939372 1325104709 /nfs/dbraw/zinc/10/47/09/1325104709.db2.gz DBEZTOIPFSWMPL-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190835 1325198062 /nfs/dbraw/zinc/19/80/62/1325198062.db2.gz YPMQFFCSKCUBCX-QZTJIDSGSA-N 2 0 339.524 2.136 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210217051 1325202720 /nfs/dbraw/zinc/20/27/20/1325202720.db2.gz CHEPVSFKMJNWPS-CQSZACIVSA-N 2 0 334.489 2.042 20 30 EEEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000847513981 1338125745 /nfs/dbraw/zinc/12/57/45/1338125745.db2.gz CBIANNIQRUAONT-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001578416823 1344276518 /nfs/dbraw/zinc/27/65/18/1344276518.db2.gz FXDYVZNDUBAQCX-SFHVURJKSA-N 2 0 342.487 2.228 20 30 EEEDRP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579185747 1344349583 /nfs/dbraw/zinc/34/95/83/1344349583.db2.gz MELBTUFROBWCHS-WDYCEAGBSA-N 2 0 329.444 2.285 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001121340739 1371869925 /nfs/dbraw/zinc/86/99/25/1371869925.db2.gz HEZZWBXVHANTNM-UHFFFAOYSA-N 2 0 336.439 2.297 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[N@H+](Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001372897344 1376277878 /nfs/dbraw/zinc/27/78/78/1376277878.db2.gz TZAFAUPKKRTQRH-LJQANCHMSA-N 2 0 342.487 2.225 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccccc1C#N)C(=O)C[NH+](C)C1CCC1 ZINC001380981353 1381479840 /nfs/dbraw/zinc/47/98/40/1381479840.db2.gz OBXYKSJJLXUFQC-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390707012 1388740112 /nfs/dbraw/zinc/74/01/12/1388740112.db2.gz SNOZHLURWUTPOS-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001752798212 1406417286 /nfs/dbraw/zinc/41/72/86/1406417286.db2.gz WEMKUWOETXPTRQ-MOPGFXCFSA-N 2 0 345.531 2.493 20 30 EEEDRP CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001393064732 1390300408 /nfs/dbraw/zinc/30/04/08/1390300408.db2.gz LDLKEHNVCMHZEF-INIZCTEOSA-N 2 0 348.516 2.431 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2C#N)C1 ZINC001393392035 1390424099 /nfs/dbraw/zinc/42/40/99/1390424099.db2.gz QEJQNSRBUUPSBI-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752834157 1406461181 /nfs/dbraw/zinc/46/11/81/1406461181.db2.gz ORADHAWEKJVHJB-MSOLQXFVSA-N 2 0 333.520 2.443 20 30 EEEDRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)CCC1 ZINC001399876020 1395591085 /nfs/dbraw/zinc/59/10/85/1395591085.db2.gz WXIPPTQFELFTHR-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]21 ZINC001753874985 1406776076 /nfs/dbraw/zinc/77/60/76/1406776076.db2.gz CXOAYORWHKXADS-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001400806275 1396599388 /nfs/dbraw/zinc/59/93/88/1396599388.db2.gz ADVQRMXKCQODGZ-QGZVFWFLSA-N 2 0 328.460 2.027 20 30 EEEDRP CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1)[NH+](C)C ZINC001400928357 1396734598 /nfs/dbraw/zinc/73/45/98/1396734598.db2.gz ZYPWPNYVPXRXMQ-GOSISDBHSA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401268083 1397102366 /nfs/dbraw/zinc/10/23/66/1397102366.db2.gz CNKRHIFAJNLTHV-RBUKOAKNSA-N 2 0 342.487 2.273 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001425906060 1401796829 /nfs/dbraw/zinc/79/68/29/1401796829.db2.gz FNFSQVSCQGIEFT-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)ccc21 ZINC001578413375 1403750358 /nfs/dbraw/zinc/75/03/58/1403750358.db2.gz NANJQZAKQIQNHT-KGAQGRRNSA-N 2 0 338.455 2.313 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001121469042 1410227931 /nfs/dbraw/zinc/22/79/31/1410227931.db2.gz MMRJGZFLSZLWHL-QAELIBMJSA-N 2 0 331.504 2.454 20 30 EEEDRP COC(=O)[C@H](CS)Nc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001167621834 760754488 /nfs/dbraw/zinc/75/44/88/760754488.db2.gz RZEZBEXZMQIANI-ZFWWWQNUSA-N 2 0 348.472 2.234 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458842 760851721 /nfs/dbraw/zinc/85/17/21/760851721.db2.gz QSBKCWBXLMHLDT-MJGOQNOKSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753469 765201094 /nfs/dbraw/zinc/20/10/94/765201094.db2.gz BZNXEUYVRVYPEI-GUDVDZBRSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCC)C2)CC1 ZINC001105062158 768977434 /nfs/dbraw/zinc/97/74/34/768977434.db2.gz CCIFOHCYCQAFMU-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849406 770333969 /nfs/dbraw/zinc/33/39/69/770333969.db2.gz QYQXSBQRMJRXTK-OAHLLOKOSA-N 2 0 339.911 2.395 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088107394 782922343 /nfs/dbraw/zinc/92/23/43/782922343.db2.gz VVFKXEANTBQTHL-UXHICEINSA-N 2 0 341.499 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203454955 773517157 /nfs/dbraw/zinc/51/71/57/773517157.db2.gz BMFFFBCUWIRDFF-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216939 774127978 /nfs/dbraw/zinc/12/79/78/774127978.db2.gz SMISBXCXHQJBCP-BZSNNMDCSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301498 775483365 /nfs/dbraw/zinc/48/33/65/775483365.db2.gz WRPHXUBGRBXFDR-GVDBMIGSSA-N 2 0 348.491 2.178 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982160975 779200030 /nfs/dbraw/zinc/20/00/30/779200030.db2.gz IDRIQUVZQWRBOO-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860598 790874311 /nfs/dbraw/zinc/87/43/11/790874311.db2.gz SVRCEJQYNJLXHZ-RVKKMQEKSA-N 2 0 325.472 2.354 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394492 781793036 /nfs/dbraw/zinc/79/30/36/781793036.db2.gz YMRYZXOCUDFNDB-HXUWFJFHSA-N 2 0 345.531 2.445 20 30 EEEDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC#Cc2ccccc2)cc1 ZINC001135341476 783607044 /nfs/dbraw/zinc/60/70/44/783607044.db2.gz YJLGIPDLIKTEOS-UHFFFAOYSA-N 2 0 335.451 2.119 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135390630 783710471 /nfs/dbraw/zinc/71/04/71/783710471.db2.gz LUXXCPONAMMBBH-HOTGVXAUSA-N 2 0 342.487 2.273 20 30 EEEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184483 784019872 /nfs/dbraw/zinc/01/98/72/784019872.db2.gz LJISTCFBIZCRNR-SFHVURJKSA-N 2 0 331.504 2.219 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229605 784195742 /nfs/dbraw/zinc/19/57/42/784195742.db2.gz UVIUWOSDEVIGEF-HNNXBMFYSA-N 2 0 327.900 2.394 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135744322 784353269 /nfs/dbraw/zinc/35/32/69/784353269.db2.gz ZOQGEFCPFCMDGS-JKSUJKDBSA-N 2 0 330.476 2.273 20 30 EEEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035838244 785261798 /nfs/dbraw/zinc/26/17/98/785261798.db2.gz WBEPKRGRVDENFZ-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996193414 786128766 /nfs/dbraw/zinc/12/87/66/786128766.db2.gz ANRNVVBQDCRKKC-SOUVJXGZSA-N 2 0 327.900 2.296 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000911743455 787679934 /nfs/dbraw/zinc/67/99/34/787679934.db2.gz CTIGCMYRASXIHS-SJORKVTESA-N 2 0 345.443 2.218 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587388 787778431 /nfs/dbraw/zinc/77/84/31/787778431.db2.gz NDIXDXRWJPRBGX-UYAOXDASSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646606 787996500 /nfs/dbraw/zinc/99/65/00/787996500.db2.gz MMFIBJQWZDLPSQ-WSTZPKSXSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005874071 788611120 /nfs/dbraw/zinc/61/11/20/788611120.db2.gz VJRYDQPBSLSNHH-IBGZPJMESA-N 2 0 331.504 2.340 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001146341444 791213681 /nfs/dbraw/zinc/21/36/81/791213681.db2.gz YJILAXZXVLVWOJ-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592995 791362446 /nfs/dbraw/zinc/36/24/46/791362446.db2.gz LPYPIMSQGRRZGY-CABCVRRESA-N 2 0 348.466 2.410 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573163 791873531 /nfs/dbraw/zinc/87/35/31/791873531.db2.gz VATYWCCITXUWPJ-FUHWJXTLSA-N 2 0 331.504 2.217 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001147826438 791984249 /nfs/dbraw/zinc/98/42/49/791984249.db2.gz VQUNVPTYGSGKRD-RDJZCZTQSA-N 2 0 346.450 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)CCC=C)C3)CC1 ZINC001148827934 792703716 /nfs/dbraw/zinc/70/37/16/792703716.db2.gz SDTZKVPIWSQSLT-SFHVURJKSA-N 2 0 343.515 2.221 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071313 793534154 /nfs/dbraw/zinc/53/41/54/793534154.db2.gz QDAQJQBCNFNHRU-GGPKGHCWSA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130951 793599090 /nfs/dbraw/zinc/59/90/90/793599090.db2.gz JWRHNLIDMXYHOK-QUCCMNQESA-N 2 0 333.520 2.465 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999405811 794420152 /nfs/dbraw/zinc/42/01/52/794420152.db2.gz JLSXFFXVNFVVKV-VNCLNFNDSA-N 2 0 340.471 2.122 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835142 795340651 /nfs/dbraw/zinc/34/06/51/795340651.db2.gz VJQSRDWGNCPEBX-ZWKOTPCHSA-N 2 0 342.487 2.343 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC001127322884 795405935 /nfs/dbraw/zinc/40/59/35/795405935.db2.gz ZXIYQWQJYGWVKW-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106411943 795526783 /nfs/dbraw/zinc/52/67/83/795526783.db2.gz BCEWARKPHFYEMR-HZPDHXFCSA-N 2 0 339.443 2.141 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106575224 795864285 /nfs/dbraw/zinc/86/42/85/795864285.db2.gz ZFIWWLZWIIAZKK-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430777 796222152 /nfs/dbraw/zinc/22/21/52/796222152.db2.gz WAFVQRAFKBHZNC-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171872303 796760794 /nfs/dbraw/zinc/76/07/94/796760794.db2.gz BPYZBTDRXLPFJJ-SARBKMAYSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176601072 798516360 /nfs/dbraw/zinc/51/63/60/798516360.db2.gz RXCRUHWLVSQCBF-QZTJIDSGSA-N 2 0 339.524 2.186 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCC(C)CC2)CC1 ZINC001176926831 798630875 /nfs/dbraw/zinc/63/08/75/798630875.db2.gz WXNATYPWZIYDMB-UHFFFAOYSA-N 2 0 333.520 2.254 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176986110 798674357 /nfs/dbraw/zinc/67/43/57/798674357.db2.gz FAYIWTDCNPTNRM-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001179481523 799946902 /nfs/dbraw/zinc/94/69/02/799946902.db2.gz IILZDURFFKNPLX-YJBOKZPZSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@@H]2C)CC1 ZINC001180204322 800308612 /nfs/dbraw/zinc/30/86/12/800308612.db2.gz NUVRUKQMBXUGIB-LPHOPBHVSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCC3CC3)C2)CC1 ZINC001183496286 801628782 /nfs/dbraw/zinc/62/87/82/801628782.db2.gz GPFFBKAHJZQHSS-DYESRHJHSA-N 2 0 345.531 2.206 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001183581174 801657275 /nfs/dbraw/zinc/65/72/75/801657275.db2.gz FYLJJMKYWAYMOH-QZTJIDSGSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184882867 802224186 /nfs/dbraw/zinc/22/41/86/802224186.db2.gz OOZDACIQPJJPBU-QZTJIDSGSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001184883659 802225204 /nfs/dbraw/zinc/22/52/04/802225204.db2.gz WJGNLJSSJHHUFD-MJGOQNOKSA-N 2 0 341.499 2.112 20 30 EEEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001185071664 802336023 /nfs/dbraw/zinc/33/60/23/802336023.db2.gz ACDAIPRKEXYASD-QFBILLFUSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004549377 802351768 /nfs/dbraw/zinc/35/17/68/802351768.db2.gz YOERFWNGTGKMAP-HKUYNNGSSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004589530 802434999 /nfs/dbraw/zinc/43/49/99/802434999.db2.gz FMIKQYJPZNRXJC-HXUWFJFHSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]2C1 ZINC000946652502 802638165 /nfs/dbraw/zinc/63/81/65/802638165.db2.gz VSUWYQQTNJOZSU-CALCHBBNSA-N 2 0 336.439 2.060 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169095976 803608194 /nfs/dbraw/zinc/60/81/94/803608194.db2.gz TVZVGOFPVHJLRY-FJIDUMEYSA-N 2 0 327.472 2.106 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086557664 807204149 /nfs/dbraw/zinc/20/41/49/807204149.db2.gz AEFCXTKCBVCFSO-KESTWPANSA-N 2 0 343.515 2.316 20 30 EEEDRP C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398929 811610514 /nfs/dbraw/zinc/61/05/14/811610514.db2.gz IFINQDXOCPUVKX-NVXWUHKLSA-N 2 0 347.507 2.122 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001438461411 1090970223 /nfs/dbraw/zinc/97/02/23/1090970223.db2.gz WUHUFKYLAGCWKO-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959271 1091652009 /nfs/dbraw/zinc/65/20/09/1091652009.db2.gz HZAZWLFIIZOFNB-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP C[N@H+](CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1)CC(C)(C)C ZINC001446255618 1092385217 /nfs/dbraw/zinc/38/52/17/1092385217.db2.gz ZUMKFIWHATZGMO-UHFFFAOYSA-N 2 0 348.516 2.336 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441937068 1096131117 /nfs/dbraw/zinc/13/11/17/1096131117.db2.gz RRGDGEYTAZWNKK-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP CN(CC[N@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001444996208 1100130476 /nfs/dbraw/zinc/13/04/76/1100130476.db2.gz UHWJOFHKSZEVTH-UHFFFAOYSA-N 2 0 346.450 2.072 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480462400 1100266631 /nfs/dbraw/zinc/26/66/31/1100266631.db2.gz UXUVKKMTKVGXKB-CYBMUJFWSA-N 2 0 346.313 2.254 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001446982245 1101699551 /nfs/dbraw/zinc/69/95/51/1101699551.db2.gz VHDKALFDHLYFTA-GASCZTMLSA-N 2 0 327.900 2.107 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496083766 1102031011 /nfs/dbraw/zinc/03/10/11/1102031011.db2.gz WVKHDPRWNVNTEF-CQSZACIVSA-N 2 0 346.450 2.118 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001502142329 1113614581 /nfs/dbraw/zinc/61/45/81/1113614581.db2.gz FNFCZQDRYBIBCI-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602211 781921140 /nfs/dbraw/zinc/92/11/40/781921140.db2.gz FCJYKUDPWBACCB-IPMKNSEASA-N 2 0 331.504 2.386 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)CC1 ZINC000491474194 533147024 /nfs/dbraw/zinc/14/70/24/533147024.db2.gz KTMOFMGUQFGUGA-IBGZPJMESA-N 2 0 339.483 2.241 20 30 EEEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000265526736 290218328 /nfs/dbraw/zinc/21/83/28/290218328.db2.gz OUTPZLPQCSCHQT-OAHLLOKOSA-N 2 0 328.460 2.009 20 30 EEEDRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728116 323353742 /nfs/dbraw/zinc/35/37/42/323353742.db2.gz ZXNLTOIAEPPXRG-LJQANCHMSA-N 2 0 326.488 2.454 20 30 EEEDRP N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000150852266 463440344 /nfs/dbraw/zinc/44/03/44/463440344.db2.gz QKCCZBRSWNSJKG-IEBWSBKVSA-N 2 0 338.455 2.081 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccsc1Br ZINC000261665130 463820165 /nfs/dbraw/zinc/82/01/65/463820165.db2.gz FXZSQUXPIJMFQY-LLVKDONJSA-N 2 0 345.310 2.399 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261976753 463916800 /nfs/dbraw/zinc/91/68/00/463916800.db2.gz NWTPJIUYRKNAPQ-OAHLLOKOSA-N 2 0 340.475 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000187268764 464112013 /nfs/dbraw/zinc/11/20/13/464112013.db2.gz BVTVMKUUQPCESA-QFBILLFUSA-N 2 0 327.472 2.139 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(c2ccccc2)CC1 ZINC000279957154 464171298 /nfs/dbraw/zinc/17/12/98/464171298.db2.gz IJIGFUNSOVKZAE-IBGZPJMESA-N 2 0 343.519 2.292 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236660564 464216557 /nfs/dbraw/zinc/21/65/57/464216557.db2.gz DSCYZLPGYDCWOS-UHFFFAOYSA-N 2 0 327.472 2.074 20 30 EEEDRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551995 468420301 /nfs/dbraw/zinc/42/03/01/468420301.db2.gz SBAJCLWCHBYLMB-AEFFLSMTSA-N 2 0 333.476 2.254 20 30 EEEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])N2CCOCC2)CCCC1)c1ccccc1 ZINC000267429164 464931472 /nfs/dbraw/zinc/93/14/72/464931472.db2.gz MBTQHVYYBNMNOL-MRXNPFEDSA-N 2 0 330.476 2.297 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000417058103 466766533 /nfs/dbraw/zinc/76/65/33/466766533.db2.gz DOYMEZVNMYQWKK-INDMIFKZSA-N 2 0 348.535 2.372 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428689749 467259450 /nfs/dbraw/zinc/25/94/50/467259450.db2.gz IOZZIWTXAYUAHP-UHFFFAOYSA-N 2 0 334.508 2.201 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000454552317 467600534 /nfs/dbraw/zinc/60/05/34/467600534.db2.gz UCGRFEULXOEGIJ-SFHVURJKSA-N 2 0 336.524 2.447 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1conc1C(C)(C)[NH3+])C(C)C ZINC000577963086 468194556 /nfs/dbraw/zinc/19/45/56/468194556.db2.gz OEVDWMRAXZWUCU-HNNXBMFYSA-N 2 0 334.464 2.297 20 30 EEEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1 ZINC000560815503 468848691 /nfs/dbraw/zinc/84/86/91/468848691.db2.gz DUBNMLKCEPTMSN-UHFFFAOYSA-N 2 0 334.427 2.342 20 30 EEEDRP Cc1cc(NCC[N@@H+](C)C(C)C)c(C#N)c(NCC[NH+](C)C(C)C)n1 ZINC000596111208 469159195 /nfs/dbraw/zinc/15/91/95/469159195.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 2 0 346.523 2.766 20 30 EEEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC#CCOC)CC1 ZINC000678762074 485494569 /nfs/dbraw/zinc/49/45/69/485494569.db2.gz YOLQJRDYEIJELH-MRXNPFEDSA-N 2 0 333.451 2.268 20 30 EEEDRP CC[NH2+]Cc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000415906436 528340460 /nfs/dbraw/zinc/34/04/60/528340460.db2.gz KNEXVDVARXGXFB-UHFFFAOYSA-N 2 0 331.464 2.495 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+]1CCCC1 ZINC001020464091 674844315 /nfs/dbraw/zinc/84/43/15/674844315.db2.gz XVJSSNPEMGNJTQ-HDJSIYSDSA-N 2 0 346.500 2.231 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(=C)C)CC1 ZINC001021469526 676117774 /nfs/dbraw/zinc/11/77/74/676117774.db2.gz FUWVLBLGYGOMAL-IHWFROFDSA-N 2 0 343.515 2.409 20 30 EEEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970787757 676152356 /nfs/dbraw/zinc/15/23/56/676152356.db2.gz FUBJAWGMCODPPD-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC000970792508 676154222 /nfs/dbraw/zinc/15/42/22/676154222.db2.gz LVLCFZINVKKFTH-LJQANCHMSA-N 2 0 329.488 2.023 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249894 676266532 /nfs/dbraw/zinc/26/65/32/676266532.db2.gz FNYIMBURIWYHRI-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021667389 676321544 /nfs/dbraw/zinc/32/15/44/676321544.db2.gz DFSAEBPJXKLBDY-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](C(C)C)CC[C@H]32)CC1 ZINC001021738956 676397191 /nfs/dbraw/zinc/39/71/91/676397191.db2.gz FWDPQBMAISNUIE-RTBURBONSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739787 676398153 /nfs/dbraw/zinc/39/81/53/676398153.db2.gz NDNUGGUZKVJMEK-RTBURBONSA-N 2 0 331.504 2.199 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800488 676812004 /nfs/dbraw/zinc/81/20/04/676812004.db2.gz KCECELYSCYWXEB-WMLDXEAASA-N 2 0 346.500 2.137 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972336283 678565274 /nfs/dbraw/zinc/56/52/74/678565274.db2.gz VSDKNOHKLQWNLR-QAPCUYQASA-N 2 0 325.472 2.308 20 30 EEEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1 ZINC000262326418 679135873 /nfs/dbraw/zinc/13/58/73/679135873.db2.gz RCGSXRNAQJGZDQ-UHFFFAOYSA-N 2 0 332.448 2.449 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001028604180 681362074 /nfs/dbraw/zinc/36/20/74/681362074.db2.gz RFHOEZHVSKUZPJ-WMZOPIPTSA-N 2 0 345.512 2.092 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261231 682354009 /nfs/dbraw/zinc/35/40/09/682354009.db2.gz UHVANWJNNFAXCH-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]12 ZINC001026293037 684209481 /nfs/dbraw/zinc/20/94/81/684209481.db2.gz YQMWDDHIFORGNH-FGTMMUONSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@@H]12 ZINC000990814811 693908455 /nfs/dbraw/zinc/90/84/55/693908455.db2.gz JGERTMHKRKXYTG-VQIMIIECSA-N 2 0 328.460 2.061 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327386 686329408 /nfs/dbraw/zinc/32/94/08/686329408.db2.gz GIYVAQTZMLRHDA-KRWDZBQOSA-N 2 0 346.500 2.137 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979109857 694188137 /nfs/dbraw/zinc/18/81/37/694188137.db2.gz BETPYXPSKUXTQK-NNZMDNLPSA-N 2 0 343.471 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCCC)[C@H](C)C2)CC1 ZINC001107033820 1192848246 /nfs/dbraw/zinc/84/82/46/1192848246.db2.gz BVPPLDXXPUMRGB-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374727 1186698801 /nfs/dbraw/zinc/69/88/01/1186698801.db2.gz ONODWJNSKGBELZ-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C(C)(C)[N@@H+](C)CC)CCO2 ZINC001105474919 1188042175 /nfs/dbraw/zinc/04/21/75/1188042175.db2.gz SKVUIMPJYPXGII-UHFFFAOYSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574974 1188189259 /nfs/dbraw/zinc/18/92/59/1188189259.db2.gz NXVQCDJMYXKOKK-SFHVURJKSA-N 2 0 343.515 2.247 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001486124252 1193688752 /nfs/dbraw/zinc/68/87/52/1193688752.db2.gz NJLMLMWYIKQZPJ-SJLPKXTDSA-N 2 0 349.906 2.492 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001034045495 1195697091 /nfs/dbraw/zinc/69/70/91/1195697091.db2.gz JWYSRSCRSAFKDT-FUHWJXTLSA-N 2 0 337.483 2.003 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248821 1195982997 /nfs/dbraw/zinc/98/29/97/1195982997.db2.gz FYKZFLIYEPUYDB-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001034539265 1196363924 /nfs/dbraw/zinc/36/39/24/1196363924.db2.gz ZVHPKYHEIVUDGB-WMZOPIPTSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173535 1199388883 /nfs/dbraw/zinc/38/88/83/1199388883.db2.gz NMEWJNZOYPBHQB-WBVHZDCISA-N 2 0 342.443 2.120 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584514 1199673242 /nfs/dbraw/zinc/67/32/42/1199673242.db2.gz UVEXKRXDYYITCT-KBPBESRZSA-N 2 0 348.516 2.477 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126053365 1199690774 /nfs/dbraw/zinc/69/07/74/1199690774.db2.gz QHSPWQZAXAYWHG-UHFFFAOYSA-N 2 0 341.499 2.347 20 30 EEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000876723909 1199741272 /nfs/dbraw/zinc/74/12/72/1199741272.db2.gz ZTJMDLQOWGWOTH-IAGOWNOFSA-N 2 0 335.879 2.409 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001132737232 1199965164 /nfs/dbraw/zinc/96/51/64/1199965164.db2.gz JQMSDJGPUCTZFW-KRWDZBQOSA-N 2 0 346.450 2.025 20 30 EEEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000877697256 1200040818 /nfs/dbraw/zinc/04/08/18/1200040818.db2.gz JRFVZTLDQPUAKJ-UHFFFAOYSA-N 2 0 326.448 2.201 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937193 1200212878 /nfs/dbraw/zinc/21/28/78/1200212878.db2.gz IIBYBCXUBJNKFB-DOTOQJQBSA-N 2 0 338.455 2.354 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133250326 1200643205 /nfs/dbraw/zinc/64/32/05/1200643205.db2.gz SZIJPEQIWJBYIJ-QFBILLFUSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C2)CC1 ZINC001133337087 1200761434 /nfs/dbraw/zinc/76/14/34/1200761434.db2.gz INNBNZYFNRFYPQ-IEBWSBKVSA-N 2 0 333.520 2.062 20 30 EEEDRP COCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001274939547 1205210330 /nfs/dbraw/zinc/21/03/30/1205210330.db2.gz MJFLSZLUBUUFML-RBUKOAKNSA-N 2 0 330.476 2.458 20 30 EEEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3Cl)[C@@H]2C1 ZINC001275312810 1205306190 /nfs/dbraw/zinc/30/61/90/1205306190.db2.gz ZSTNMZTZQANIGM-MAUKXSAKSA-N 2 0 332.879 2.279 20 30 EEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@H]1C ZINC000947723354 1208687475 /nfs/dbraw/zinc/68/74/75/1208687475.db2.gz VKNLITPEBANVKK-CVEARBPZSA-N 2 0 346.475 2.429 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559390 1215209944 /nfs/dbraw/zinc/20/99/44/1215209944.db2.gz HSSVLTQRFYLHAR-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001114849263 1215832405 /nfs/dbraw/zinc/83/24/05/1215832405.db2.gz MRKGLRSMYYJITG-KXTWHKPSSA-N 2 0 341.499 2.174 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000960262695 1216458261 /nfs/dbraw/zinc/45/82/61/1216458261.db2.gz PFWNEDFEBYZGBC-GUDVDZBRSA-N 2 0 327.472 2.417 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000960268947 1216460793 /nfs/dbraw/zinc/46/07/93/1216460793.db2.gz YXABORQRUDLMPV-XUVXKRRUSA-N 2 0 339.483 2.276 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCC)CC1 ZINC000960333664 1216500854 /nfs/dbraw/zinc/50/08/54/1216500854.db2.gz KEHITIRTJUOIRJ-WOJBJXKFSA-N 2 0 339.483 2.113 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275008 1217122737 /nfs/dbraw/zinc/12/27/37/1217122737.db2.gz SWKSMDMZSQAFTP-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961433192 1217188294 /nfs/dbraw/zinc/18/82/94/1217188294.db2.gz UKSRIRSYKMPXIU-UYAOXDASSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337104 1217531567 /nfs/dbraw/zinc/53/15/67/1217531567.db2.gz KTOCKEANZWYYQJ-ROUUACIJSA-N 2 0 342.487 2.079 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358171 1217552780 /nfs/dbraw/zinc/55/27/80/1217552780.db2.gz OUQZDDPLYXEOAB-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384107 1217580791 /nfs/dbraw/zinc/58/07/91/1217580791.db2.gz QIBBAAJMLJJAML-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037856435 1219579091 /nfs/dbraw/zinc/57/90/91/1219579091.db2.gz ZAPPGZQKOLLMSF-CABCVRRESA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=C)C)[C@@H](CC)C2)CC1 ZINC001037986264 1220919712 /nfs/dbraw/zinc/91/97/12/1220919712.db2.gz ZTORJCWNMMOYEH-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754554 1226843176 /nfs/dbraw/zinc/84/31/76/1226843176.db2.gz OLRKOYGRSQURCD-ROUUACIJSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016818992 1226902907 /nfs/dbraw/zinc/90/29/07/1226902907.db2.gz IFWFBHOOALPVGQ-HNNXBMFYSA-N 2 0 339.911 2.442 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039153283 1230372548 /nfs/dbraw/zinc/37/25/48/1230372548.db2.gz UWNUDHYOUMXMSW-YSIASYRMSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039165695 1230387037 /nfs/dbraw/zinc/38/70/37/1230387037.db2.gz RIPGKOLOBGYCBZ-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235687 1230468798 /nfs/dbraw/zinc/46/87/98/1230468798.db2.gz ZEDUUFYADLPKSW-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)C)CC1 ZINC001040013999 1230964111 /nfs/dbraw/zinc/96/41/11/1230964111.db2.gz BUNLPDVFKGIBBO-BGYRXZFFSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040431410 1231228285 /nfs/dbraw/zinc/22/82/85/1231228285.db2.gz HTHJQGHEIQSTPL-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912561 1231402815 /nfs/dbraw/zinc/40/28/15/1231402815.db2.gz QTTMWHZAWCMUDV-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042376396 1232054702 /nfs/dbraw/zinc/05/47/02/1232054702.db2.gz RJQMDCMTSLGCDG-AEFFLSMTSA-N 2 0 343.471 2.291 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856955 1233319066 /nfs/dbraw/zinc/31/90/66/1233319066.db2.gz CSNLZENMDYJPRO-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001045181540 1233562800 /nfs/dbraw/zinc/56/28/00/1233562800.db2.gz LBQWOWBYEWIDJC-HNNXBMFYSA-N 2 0 346.500 2.042 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979839 1234269912 /nfs/dbraw/zinc/26/99/12/1234269912.db2.gz KJLQOEKCSHRELB-AZUAARDMSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001045980416 1234270921 /nfs/dbraw/zinc/27/09/21/1234270921.db2.gz YCDLFIZSCLLQKQ-HXUWFJFHSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046941058 1235332967 /nfs/dbraw/zinc/33/29/67/1235332967.db2.gz GAERWUBIXLNQBP-HRCADAONSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241715 1235729362 /nfs/dbraw/zinc/72/93/62/1235729362.db2.gz SWXRCUJFJUVXKI-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047255478 1235758756 /nfs/dbraw/zinc/75/87/56/1235758756.db2.gz AJHZCXDLWSZECQ-OALUTQOASA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043448 1249586821 /nfs/dbraw/zinc/58/68/21/1249586821.db2.gz GXWGVCHNHAZDFB-QRVBRYPASA-N 2 0 325.456 2.107 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583116 1238022133 /nfs/dbraw/zinc/02/21/33/1238022133.db2.gz DWACDOHKJYDAAW-FSGKZVOOSA-N 2 0 345.531 2.489 20 30 EEEDRP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165035 1240163305 /nfs/dbraw/zinc/16/33/05/1240163305.db2.gz DWWBIARJWWPRAT-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049232962 1240334493 /nfs/dbraw/zinc/33/44/93/1240334493.db2.gz GMRGSMBUNCSUCM-OWCLPIDISA-N 2 0 325.884 2.004 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768368 1242137462 /nfs/dbraw/zinc/13/74/62/1242137462.db2.gz VYGBVQXXLKKPJP-GBESFXJTSA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001073627259 1242589088 /nfs/dbraw/zinc/58/90/88/1242589088.db2.gz KWMXMPMFOXKPOB-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913373 1242676597 /nfs/dbraw/zinc/67/65/97/1242676597.db2.gz WJUCFTLVQLQSTG-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764911 1244317042 /nfs/dbraw/zinc/31/70/42/1244317042.db2.gz JDQLGSCBSYBXAS-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)CC)CC2)CC1 ZINC001052954728 1245546372 /nfs/dbraw/zinc/54/63/72/1245546372.db2.gz QWCKIVOQBYTYHO-PKOBYXMFSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC001052954811 1245547557 /nfs/dbraw/zinc/54/75/57/1245547557.db2.gz SQKDGQLJKAISQU-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051452 1245775154 /nfs/dbraw/zinc/77/51/54/1245775154.db2.gz OUDCJKGYWDREKB-MSOLQXFVSA-N 2 0 331.504 2.219 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001053092673 1245881918 /nfs/dbraw/zinc/88/19/18/1245881918.db2.gz IOXYPIJPWWLHKA-OALUTQOASA-N 2 0 342.487 2.390 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001101574845 1245978722 /nfs/dbraw/zinc/97/87/22/1245978722.db2.gz GMBBNTOFDWOLPW-QGZVFWFLSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052354 1247242514 /nfs/dbraw/zinc/24/25/14/1247242514.db2.gz UTTPPHSHBWDIEV-HXUWFJFHSA-N 2 0 341.499 2.447 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133534 1247484134 /nfs/dbraw/zinc/48/41/34/1247484134.db2.gz FMZSSLJUMAHGMY-ICSRJNTNSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054146783 1247523776 /nfs/dbraw/zinc/52/37/76/1247523776.db2.gz IPBFVYXEUUWVSB-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154164 1247543982 /nfs/dbraw/zinc/54/39/82/1247543982.db2.gz QIKBIERIXCCTQX-NVXWUHKLSA-N 2 0 327.900 2.394 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209763 1247726150 /nfs/dbraw/zinc/72/61/50/1247726150.db2.gz XFDZJPTVJSTJPL-QUCCMNQESA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001054244914 1247857058 /nfs/dbraw/zinc/85/70/58/1247857058.db2.gz KTHPPHHMQWIQJV-NRFANRHFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001054244915 1247860213 /nfs/dbraw/zinc/86/02/13/1247860213.db2.gz KTHPPHHMQWIQJV-OAQYLSRUSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCn1ccnc1)C2=O ZINC001276382818 1253388663 /nfs/dbraw/zinc/38/86/63/1253388663.db2.gz CLKYNMCFKVLSOX-OAQYLSRUSA-N 2 0 348.450 2.287 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001073115846 1255698614 /nfs/dbraw/zinc/69/86/14/1255698614.db2.gz BZYJKMSIMMXMMP-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)CC1 ZINC001074102903 1256714704 /nfs/dbraw/zinc/71/47/04/1256714704.db2.gz GCWUQLKQSUXQJW-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)CC1 ZINC001098462967 1257699071 /nfs/dbraw/zinc/69/90/71/1257699071.db2.gz WQUQVAJYYLAAFV-QRVBRYPASA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960013 1257876606 /nfs/dbraw/zinc/87/66/06/1257876606.db2.gz QBVMSNAFSJRUFR-NSHGMRRFSA-N 2 0 331.504 2.408 20 30 EEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186235363 1278998903 /nfs/dbraw/zinc/99/89/03/1278998903.db2.gz WJRZVWYUKXWRDW-GOSISDBHSA-N 2 0 349.523 2.219 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)[C@@H]2C1 ZINC001188405138 1279881860 /nfs/dbraw/zinc/88/18/60/1279881860.db2.gz ARNXZUCTIXMCTO-RLFYNMQTSA-N 2 0 346.475 2.237 20 30 EEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001192407210 1281977172 /nfs/dbraw/zinc/97/71/72/1281977172.db2.gz SPNHPWDGKNCTCE-LJQANCHMSA-N 2 0 329.488 2.270 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885280 1285411473 /nfs/dbraw/zinc/41/14/73/1285411473.db2.gz CRCSJZIMXCHOMA-FUHWJXTLSA-N 2 0 333.476 2.214 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC001201238946 1289372863 /nfs/dbraw/zinc/37/28/63/1289372863.db2.gz DUQXAJOHLDYKDU-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC(=C)C)C2)CC1 ZINC001072095416 1295235879 /nfs/dbraw/zinc/23/58/79/1295235879.db2.gz HXTFNCGUMIEWOY-IEBWSBKVSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185726 1300523514 /nfs/dbraw/zinc/52/35/14/1300523514.db2.gz QIQFEDHRZFFXCF-XYPHTWIQSA-N 2 0 339.911 2.297 20 30 EEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001226775682 1301548200 /nfs/dbraw/zinc/54/82/00/1301548200.db2.gz WVYAXHHQLNZIJX-GUDVDZBRSA-N 2 0 349.519 2.223 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226889698 1301595487 /nfs/dbraw/zinc/59/54/87/1301595487.db2.gz AMFJFTFYDLUXLH-KZNAEPCWSA-N 2 0 337.508 2.080 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083645 1302187258 /nfs/dbraw/zinc/18/72/58/1302187258.db2.gz BTPVMRDKIQWIHM-GUDVDZBRSA-N 2 0 333.520 2.062 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001228365775 1302226243 /nfs/dbraw/zinc/22/62/43/1302226243.db2.gz IWKMIGRXBHKMBL-RTBURBONSA-N 2 0 345.462 2.146 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001228611321 1302337174 /nfs/dbraw/zinc/33/71/74/1302337174.db2.gz UMNCJXYDXCAWCT-WOJBJXKFSA-N 2 0 341.499 2.445 20 30 EEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495897 1303035892 /nfs/dbraw/zinc/03/58/92/1303035892.db2.gz YBVXETAMVIPCAJ-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H](C)CCC=C)CC2)CC1 ZINC001230344712 1303172718 /nfs/dbraw/zinc/17/27/18/1303172718.db2.gz IIOYYZTWCANUQY-KRWDZBQOSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001103752625 1303296415 /nfs/dbraw/zinc/29/64/15/1303296415.db2.gz QFTVDSGEPLMESG-UYAOXDASSA-N 2 0 347.547 2.452 20 30 EEEDRP C=CC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cccnc1 ZINC001230861884 1303508979 /nfs/dbraw/zinc/50/89/79/1303508979.db2.gz UTIPBMZVFGXUQR-UHFFFAOYSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447319 1304556742 /nfs/dbraw/zinc/55/67/42/1304556742.db2.gz QLIILBOOUXJSBD-HKUYNNGSSA-N 2 0 331.504 2.409 20 30 EEEDRP C=CCOc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)[C@@H](C(=O)OCC)C2)cc1 ZINC001237412842 1305925237 /nfs/dbraw/zinc/92/52/37/1305925237.db2.gz VMMCBUJBIKICEL-GOSISDBHSA-N 2 0 344.455 2.226 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001120074181 1309308276 /nfs/dbraw/zinc/30/82/76/1309308276.db2.gz BJZMLUBQFRZEMU-IBGZPJMESA-N 2 0 349.519 2.084 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120430922 1309532759 /nfs/dbraw/zinc/53/27/59/1309532759.db2.gz OJGPFMIGXUWYHC-ROUUACIJSA-N 2 0 333.520 2.301 20 30 EEEDRP C=CCOC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001246520320 1310330904 /nfs/dbraw/zinc/33/09/04/1310330904.db2.gz QHZIQWQEEOUFPE-ABHNRTSZSA-N 2 0 337.508 2.210 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203004600 1314813679 /nfs/dbraw/zinc/81/36/79/1314813679.db2.gz CNSFCRRRLUKKGQ-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203005211 1314815595 /nfs/dbraw/zinc/81/55/95/1314815595.db2.gz NNIOVUHMZPLBNM-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834505687 1314846224 /nfs/dbraw/zinc/84/62/24/1314846224.db2.gz MVMQRSSUIWYMBI-PMACEKPBSA-N 2 0 348.450 2.160 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070810 1316145608 /nfs/dbraw/zinc/14/56/08/1316145608.db2.gz LIFBIFVEKRWQQU-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152340354 1316659184 /nfs/dbraw/zinc/65/91/84/1316659184.db2.gz MROCADZEZRSPOT-UHFFFAOYSA-N 2 0 347.890 2.273 20 30 EEEDRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001153308677 1316808056 /nfs/dbraw/zinc/80/80/56/1316808056.db2.gz BSGNHGPDTNZVFL-UHFFFAOYSA-N 2 0 345.462 2.149 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967496 1318316873 /nfs/dbraw/zinc/31/68/73/1318316873.db2.gz ZKFUDHZUFLDVRH-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108747 1318410570 /nfs/dbraw/zinc/41/05/70/1318410570.db2.gz CLYCWWFPYBBYSQ-CQSZACIVSA-N 2 0 336.505 2.287 20 30 EEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067234 1318992983 /nfs/dbraw/zinc/99/29/83/1318992983.db2.gz YCXVSFMQBMXJON-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786655 1320267569 /nfs/dbraw/zinc/26/75/69/1320267569.db2.gz BOSJXRGIUKTONE-LJQANCHMSA-N 2 0 329.488 2.023 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001161091004 1320382329 /nfs/dbraw/zinc/38/23/29/1320382329.db2.gz ZEHZRRBLULQATE-UHFFFAOYSA-N 2 0 339.483 2.128 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704954 1320594855 /nfs/dbraw/zinc/59/48/55/1320594855.db2.gz MJLNBHQEEPULSH-RBUKOAKNSA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001162928845 1320990405 /nfs/dbraw/zinc/99/04/05/1320990405.db2.gz PQDGVZPJLUUDTJ-IBGZPJMESA-N 2 0 341.499 2.012 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987424 1321006194 /nfs/dbraw/zinc/00/61/94/1321006194.db2.gz RFHPISFPZDBKPZ-UHFFFAOYSA-N 2 0 343.515 2.403 20 30 EEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001165464596 1321530605 /nfs/dbraw/zinc/53/06/05/1321530605.db2.gz HHDMDFADDBWMAX-GOSISDBHSA-N 2 0 349.519 2.082 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](CC)CC ZINC001166424465 1321717153 /nfs/dbraw/zinc/71/71/53/1321717153.db2.gz HLJZQLKSQMYXRR-GOSISDBHSA-N 2 0 348.466 2.414 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203360601 1321869232 /nfs/dbraw/zinc/86/92/32/1321869232.db2.gz XVAMMIZTKHDHOZ-RBUKOAKNSA-N 2 0 339.483 2.007 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203625751 1321926432 /nfs/dbraw/zinc/92/64/32/1321926432.db2.gz XNIBPXUMJJJUBP-GJZGRUSLSA-N 2 0 327.900 2.488 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001208374107 1324460018 /nfs/dbraw/zinc/46/00/18/1324460018.db2.gz WHRPDRHULAJWDQ-UXHICEINSA-N 2 0 341.499 2.205 20 30 EEEDRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001209278625 1324881305 /nfs/dbraw/zinc/88/13/05/1324881305.db2.gz QAQFTCNIGWTARY-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190836 1325197814 /nfs/dbraw/zinc/19/78/14/1325197814.db2.gz YPMQFFCSKCUBCX-ROUUACIJSA-N 2 0 339.524 2.136 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426251 1325280790 /nfs/dbraw/zinc/28/07/90/1325280790.db2.gz DIYIAGBAHGZXRU-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC001140140182 1372544331 /nfs/dbraw/zinc/54/43/31/1372544331.db2.gz VXQDOLUEYTZXSL-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)[NH+](C)C ZINC001369227588 1374511840 /nfs/dbraw/zinc/51/18/40/1374511840.db2.gz NJQWEZCXOSMZNA-DLBZAZTESA-N 2 0 348.516 2.287 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001375275307 1377575181 /nfs/dbraw/zinc/57/51/81/1377575181.db2.gz XIFLGZDKERSURE-QGZVFWFLSA-N 2 0 339.911 2.345 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001377513844 1379319977 /nfs/dbraw/zinc/31/99/77/1379319977.db2.gz SKRZZQDBNQPZIJ-MAUKXSAKSA-N 2 0 330.476 2.129 20 30 EEEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885766 1389685769 /nfs/dbraw/zinc/68/57/69/1389685769.db2.gz HEUTVFVDDZIFNB-LPHOPBHVSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752814259 1406432896 /nfs/dbraw/zinc/43/28/96/1406432896.db2.gz FEZPURWZBNWDCJ-SFHVURJKSA-N 2 0 327.472 2.213 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752834159 1406460701 /nfs/dbraw/zinc/46/07/01/1406460701.db2.gz ORADHAWEKJVHJB-ROUUACIJSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(C)C)C2)CC1 ZINC001752984136 1406588555 /nfs/dbraw/zinc/58/85/55/1406588555.db2.gz VBSUELMIBPXKMI-RTBURBONSA-N 2 0 333.520 2.395 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507419 1397414454 /nfs/dbraw/zinc/41/44/54/1397414454.db2.gz XPVBFOUEJJUHSW-RTBURBONSA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001754539067 1406922884 /nfs/dbraw/zinc/92/28/84/1406922884.db2.gz QYEBHONZUBLCOR-IBGZPJMESA-N 2 0 333.520 2.302 20 30 EEEDRP C#CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574517797 1403521856 /nfs/dbraw/zinc/52/18/56/1403521856.db2.gz QIJYPFVJIHCEKF-FBBABVLZSA-N 2 0 339.483 2.159 20 30 EEEDRP C#CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC001574518147 1403522142 /nfs/dbraw/zinc/52/21/42/1403522142.db2.gz VSZQJWNDZKHTKF-OXQOHEQNSA-N 2 0 327.472 2.378 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001574850233 1403526748 /nfs/dbraw/zinc/52/67/48/1403526748.db2.gz WXRCLIJWFWXILR-MOPGFXCFSA-N 2 0 329.488 2.303 20 30 EEEDRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001755617333 1407685654 /nfs/dbraw/zinc/68/56/54/1407685654.db2.gz BGQQJULTAYBWJL-IBGZPJMESA-N 2 0 341.499 2.351 20 30 EEEDRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001772248203 1410109994 /nfs/dbraw/zinc/10/99/94/1410109994.db2.gz UCDRIYZFRJBCHF-BEFAXECRSA-N 2 0 342.487 2.402 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001121232304 1410218025 /nfs/dbraw/zinc/21/80/25/1410218025.db2.gz DNGDDEUJWQDLAI-FUSSNKQKSA-N 2 0 331.504 2.005 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291168 758128474 /nfs/dbraw/zinc/12/84/74/758128474.db2.gz KPKOZEYWKHWTQG-QRVBRYPASA-N 2 0 333.520 2.347 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211663897 769882428 /nfs/dbraw/zinc/88/24/28/769882428.db2.gz HKFLVRFJHPGNLV-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533402 770161925 /nfs/dbraw/zinc/16/19/25/770161925.db2.gz CGFBRIWTYNPHKC-SFHVURJKSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088130144 782951361 /nfs/dbraw/zinc/95/13/61/782951361.db2.gz YCYLQZLDWMZEJH-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)[C@@H](C)C2)CC1 ZINC000948070199 773418884 /nfs/dbraw/zinc/41/88/84/773418884.db2.gz NQKIOKGJTHSBNE-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649167 773758062 /nfs/dbraw/zinc/75/80/62/773758062.db2.gz CPQOXCBSXWOYJB-ZWKOTPCHSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980150086 773955195 /nfs/dbraw/zinc/95/51/95/773955195.db2.gz WOSMOXGLHAASLS-JQHSSLGASA-N 2 0 336.439 2.188 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089870022 783166776 /nfs/dbraw/zinc/16/67/76/783166776.db2.gz PLKUETWDIFKYMO-YRPNKDGESA-N 2 0 345.531 2.463 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089851645 778035760 /nfs/dbraw/zinc/03/57/60/778035760.db2.gz XMPUDLYCDGKWTJ-VJANTYMQSA-N 2 0 331.504 2.073 20 30 EEEDRP CC#CCN1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981815195 778249936 /nfs/dbraw/zinc/24/99/36/778249936.db2.gz VBDIGDNJOHLTMX-LJQANCHMSA-N 2 0 331.504 2.341 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981812893 778258447 /nfs/dbraw/zinc/25/84/47/778258447.db2.gz XOPRFPBYOIPZGL-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCCC)C3)CC1 ZINC000982162320 779181295 /nfs/dbraw/zinc/18/12/95/779181295.db2.gz ODMAJFGKNGUGDK-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997736049 790917938 /nfs/dbraw/zinc/91/79/38/790917938.db2.gz SOMJTTWDPVMFDC-HNNXBMFYSA-N 2 0 331.460 2.195 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001088315468 783483839 /nfs/dbraw/zinc/48/38/39/783483839.db2.gz YICOCKNDNAAJDR-IAGOWNOFSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035220992 784097818 /nfs/dbraw/zinc/09/78/18/784097818.db2.gz YSVFEDMNUBQKSJ-UHFFFAOYSA-N 2 0 343.471 2.293 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215808 784140537 /nfs/dbraw/zinc/14/05/37/784140537.db2.gz NOIKZKMERFEVQD-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135922926 784802155 /nfs/dbraw/zinc/80/21/55/784802155.db2.gz DHGZRROXJZIVIU-IAGOWNOFSA-N 2 0 327.513 2.184 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996102132 786013737 /nfs/dbraw/zinc/01/37/37/786013737.db2.gz TYIOJBLNRVSNLF-GOSISDBHSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001036600324 786850925 /nfs/dbraw/zinc/85/09/25/786850925.db2.gz YNEUAIUHPHVSBB-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP CC(C)(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000824115130 788058446 /nfs/dbraw/zinc/05/84/46/788058446.db2.gz KEVHQJJCYJSRLE-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735657 805914682 /nfs/dbraw/zinc/91/46/82/805914682.db2.gz QWLJCKVQLAOYMP-RDGPPVDQSA-N 2 0 349.519 2.175 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923376158 789458863 /nfs/dbraw/zinc/45/88/63/789458863.db2.gz UVLONBNRJKWUIZ-RYQLBKOJSA-N 2 0 348.487 2.080 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908991 789797575 /nfs/dbraw/zinc/79/75/75/789797575.db2.gz HZDKMCPNQTYOHH-HAGHYFMRSA-N 2 0 343.515 2.055 20 30 EEEDRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001171219582 790098897 /nfs/dbraw/zinc/09/88/97/790098897.db2.gz YYEFVXAGODFXSG-INIZCTEOSA-N 2 0 347.890 2.129 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001146341424 791213223 /nfs/dbraw/zinc/21/32/23/791213223.db2.gz YBSMPOCBXRQFTL-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590851 791360179 /nfs/dbraw/zinc/36/01/79/791360179.db2.gz CEMPJLRIXGALOY-CVEARBPZSA-N 2 0 330.476 2.271 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992143808 792906140 /nfs/dbraw/zinc/90/61/40/792906140.db2.gz CYXFAAPPMLHXFF-WSTZPKSXSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755153 794785515 /nfs/dbraw/zinc/78/55/15/794785515.db2.gz ROYBFQRVAPYMEW-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374034 795108324 /nfs/dbraw/zinc/10/83/24/795108324.db2.gz XTLVCPRAPIIJSW-MOPGFXCFSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820035 795287686 /nfs/dbraw/zinc/28/76/86/795287686.db2.gz BPRRWMBKSUHBFJ-CVEARBPZSA-N 2 0 339.911 2.394 20 30 EEEDRP C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079967633 795451013 /nfs/dbraw/zinc/45/10/13/795451013.db2.gz QPAVCBFYWLFDFU-XYPHTWIQSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318207 795881464 /nfs/dbraw/zinc/88/14/64/795881464.db2.gz KDUSPUPGJJPXSG-QRQLOZEOSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001112382037 796047591 /nfs/dbraw/zinc/04/75/91/796047591.db2.gz BBPXFXYATOSWAN-NSHGMRRFSA-N 2 0 331.504 2.102 20 30 EEEDRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991005 797201535 /nfs/dbraw/zinc/20/15/35/797201535.db2.gz TYVSBBZQFGPMLL-NCOADZHNSA-N 2 0 348.491 2.304 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211880 797392756 /nfs/dbraw/zinc/39/27/56/797392756.db2.gz ZPOYJZACOBBDNB-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201173 797401810 /nfs/dbraw/zinc/40/18/10/797401810.db2.gz IAQOWGAPSPMFJZ-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001175056736 797964952 /nfs/dbraw/zinc/96/49/52/797964952.db2.gz OYVIXPSDTNMMMB-KRWDZBQOSA-N 2 0 347.478 2.394 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994482862 798078633 /nfs/dbraw/zinc/07/86/33/798078633.db2.gz FJEOFXSVEXKWAF-LPHOPBHVSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176601384 798516067 /nfs/dbraw/zinc/51/60/67/798516067.db2.gz TZHWDKXGIGHBQE-QZTJIDSGSA-N 2 0 339.524 2.186 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179748870 800088065 /nfs/dbraw/zinc/08/80/65/800088065.db2.gz NGXWPZUURWIENW-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001179857062 800134907 /nfs/dbraw/zinc/13/49/07/800134907.db2.gz QESRHMOVJGUHGM-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001180331371 800382721 /nfs/dbraw/zinc/38/27/21/800382721.db2.gz IRMTZLVDTWDURL-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP C[NH+](C)C1(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001182601095 801272514 /nfs/dbraw/zinc/27/25/14/801272514.db2.gz CTGPLZQCZRQTQM-IYARVYRRSA-N 2 0 340.471 2.251 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182614674 801278982 /nfs/dbraw/zinc/27/89/82/801278982.db2.gz MOXPVIHOKHUPMB-JJRVBVJISA-N 2 0 327.900 2.155 20 30 EEEDRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC001182794961 801338559 /nfs/dbraw/zinc/33/85/59/801338559.db2.gz ZRSNVBZPGPPQBF-KRWDZBQOSA-N 2 0 344.503 2.394 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001183085710 801448345 /nfs/dbraw/zinc/44/83/45/801448345.db2.gz FJYOBHFOMZMDSO-UHFFFAOYSA-N 2 0 331.504 2.395 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083230 801509365 /nfs/dbraw/zinc/50/93/65/801509365.db2.gz ZINYRSXJDCKIHM-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592325 801680687 /nfs/dbraw/zinc/68/06/87/801680687.db2.gz HTYDOTWLIMEQCV-WCIQWLHISA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472230 802161927 /nfs/dbraw/zinc/16/19/27/802161927.db2.gz FLZZCUVEBZVTBC-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623996 802294707 /nfs/dbraw/zinc/29/47/07/802294707.db2.gz YARPXAWHZZVEEG-HSALFYBXSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004538795 802323124 /nfs/dbraw/zinc/32/31/24/802323124.db2.gz ABDZOSKAMZLZKX-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631511 802424375 /nfs/dbraw/zinc/42/43/75/802424375.db2.gz LOOZXDJFFPLKBN-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758864 803197813 /nfs/dbraw/zinc/19/78/13/803197813.db2.gz WZDRFPDURDPSDI-KDURUIRLSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108696475 804374111 /nfs/dbraw/zinc/37/41/11/804374111.db2.gz CZJRNKDALIRKHB-XIRDDKMYSA-N 2 0 345.512 2.416 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1ccnc1C(C)C)C2 ZINC001108772240 804476252 /nfs/dbraw/zinc/47/62/52/804476252.db2.gz KYJGREYZAPBDFT-KSZLIROESA-N 2 0 342.487 2.389 20 30 EEEDRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438376685 1090856668 /nfs/dbraw/zinc/85/66/68/1090856668.db2.gz UQRWHJZWTJXWIV-WMZOPIPTSA-N 2 0 348.466 2.268 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001439779641 1092735267 /nfs/dbraw/zinc/73/52/67/1092735267.db2.gz YRTCQYKFSUYQOI-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000131741091 529870784 /nfs/dbraw/zinc/87/07/84/529870784.db2.gz BGWNSKSWSASJQK-IBGZPJMESA-N 2 0 342.487 2.202 20 30 EEEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178649032 232336251 /nfs/dbraw/zinc/33/62/51/232336251.db2.gz QISBWMRMHNHWCE-UHFFFAOYSA-N 2 0 347.890 2.081 20 30 EEEDRP CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000329261349 539769982 /nfs/dbraw/zinc/76/99/82/539769982.db2.gz CZLKRGRZGASYFU-RHSMWYFYSA-N 2 0 345.491 2.442 20 30 EEEDRP C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CN1CC[NH+](C)CC1 ZINC000105439396 237090836 /nfs/dbraw/zinc/09/08/36/237090836.db2.gz VLWLICFIHKEOGA-GOSISDBHSA-N 2 0 344.503 2.342 20 30 EEEDRP C[NH+](C)C(C)(C)CNc1ccc(C#N)c(NCC(C)(C)[NH+](C)C)n1 ZINC000278356875 269225313 /nfs/dbraw/zinc/22/53/13/269225313.db2.gz JZBSINMEAPPIEQ-UHFFFAOYSA-N 2 0 332.496 2.457 20 30 EEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671692 782048072 /nfs/dbraw/zinc/04/80/72/782048072.db2.gz LLJIECMIXKVYNC-VQTJNVASSA-N 2 0 341.499 2.397 20 30 EEEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000339050604 465052222 /nfs/dbraw/zinc/05/22/22/465052222.db2.gz RKEILLOJVQFEIY-HKUYNNGSSA-N 2 0 346.519 2.383 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000521576684 468321636 /nfs/dbraw/zinc/32/16/36/468321636.db2.gz OYBSZUCAXQIMMM-SFHVURJKSA-N 2 0 342.487 2.060 20 30 EEEDRP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccn1 ZINC000170913751 463740549 /nfs/dbraw/zinc/74/05/49/463740549.db2.gz WPEVASDMLLRERU-UHFFFAOYSA-N 2 0 338.459 2.021 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)cc1OC ZINC000277506174 463918181 /nfs/dbraw/zinc/91/81/81/463918181.db2.gz MVNMOAOAPJVBDR-MRXNPFEDSA-N 2 0 346.475 2.125 20 30 EEEDRP C=CCOc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000179674180 464170676 /nfs/dbraw/zinc/17/06/76/464170676.db2.gz FULWHQQCZXGQCD-UHFFFAOYSA-N 2 0 345.487 2.141 20 30 EEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000264067817 464278715 /nfs/dbraw/zinc/27/87/15/464278715.db2.gz FHELTEQDMOWBGZ-GOSISDBHSA-N 2 0 331.508 2.302 20 30 EEEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCOCC1 ZINC000264088761 464280882 /nfs/dbraw/zinc/28/08/82/464280882.db2.gz KGIUGOFMCWUCSP-UHFFFAOYSA-N 2 0 330.476 2.210 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(F)ccc12 ZINC000264095035 464282545 /nfs/dbraw/zinc/28/25/45/464282545.db2.gz LVHNWYYBMTWZNH-HNNXBMFYSA-N 2 0 331.439 2.238 20 30 EEEDRP CC1CCN(C(=[NH2+])NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000264248051 464291906 /nfs/dbraw/zinc/29/19/06/464291906.db2.gz GJXSNBOMLFSNOS-UHFFFAOYSA-N 2 0 332.492 2.216 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000264798280 464470332 /nfs/dbraw/zinc/47/03/32/464470332.db2.gz ZCUJHLZHGSXMON-HXUWFJFHSA-N 2 0 344.503 2.363 20 30 EEEDRP CCCCNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NCCCC)c1 ZINC000274208016 464738452 /nfs/dbraw/zinc/73/84/52/464738452.db2.gz OQINIJFMYZNLMB-UHFFFAOYSA-N 2 0 332.496 2.095 20 30 EEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266786374 464822437 /nfs/dbraw/zinc/82/24/37/464822437.db2.gz YWEOVIARQQZHRU-GOSISDBHSA-N 2 0 349.519 2.152 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593919115 468433825 /nfs/dbraw/zinc/43/38/25/468433825.db2.gz OVDNGPBHJFGHNL-GOSISDBHSA-N 2 0 340.471 2.029 20 30 EEEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353423122 465871385 /nfs/dbraw/zinc/87/13/85/465871385.db2.gz DFUANQRMFNCGQC-HXUWFJFHSA-N 2 0 326.488 2.409 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000417057539 466766552 /nfs/dbraw/zinc/76/65/52/466766552.db2.gz BUTUMQYOLBVJMA-INDMIFKZSA-N 2 0 348.535 2.454 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417532237 466877846 /nfs/dbraw/zinc/87/78/46/466877846.db2.gz SSSHJGFWWYCVLT-KRWDZBQOSA-N 2 0 334.508 2.056 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000424136322 466987006 /nfs/dbraw/zinc/98/70/06/466987006.db2.gz NUBIWTSIQSJRRU-GOSISDBHSA-N 2 0 328.460 2.310 20 30 EEEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595503702 468879451 /nfs/dbraw/zinc/87/94/51/468879451.db2.gz AOAAYADPAMQCIB-IBGZPJMESA-N 2 0 326.444 2.305 20 30 EEEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000611559917 469279367 /nfs/dbraw/zinc/27/93/67/469279367.db2.gz MVRMGQBUKNKKOC-HNAYVOBHSA-N 2 0 340.471 2.374 20 30 EEEDRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602535591 469353774 /nfs/dbraw/zinc/35/37/74/469353774.db2.gz QOKKWIUKJIQXDP-RBUKOAKNSA-N 2 0 342.487 2.377 20 30 EEEDRP C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426508 469392166 /nfs/dbraw/zinc/39/21/66/469392166.db2.gz AEMAOBCXELGSJN-YLJYHZDGSA-N 2 0 342.487 2.005 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(C)C ZINC000652130503 471241515 /nfs/dbraw/zinc/24/15/15/471241515.db2.gz PZRREAADXZJPLY-NSHGMRRFSA-N 2 0 348.535 2.455 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669464960 471507470 /nfs/dbraw/zinc/50/74/70/471507470.db2.gz RFBSUCQGVROLJZ-QZTJIDSGSA-N 2 0 348.535 2.448 20 30 EEEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000088481619 526350246 /nfs/dbraw/zinc/35/02/46/526350246.db2.gz WNDUWKNSDWDLER-IAGOWNOFSA-N 2 0 338.540 2.477 20 30 EEEDRP C[NH+](C)CCCNC(=S)NN=C1CCCC[C@H]1[NH+]1CCCCC1 ZINC000748788240 577966799 /nfs/dbraw/zinc/96/67/99/577966799.db2.gz POWTYCCDNBWTQM-MRXNPFEDSA-N 2 0 339.553 2.187 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1CC)CCO2 ZINC000949251085 674633950 /nfs/dbraw/zinc/63/39/50/674633950.db2.gz GUMUOBVYJVWYQI-SFHVURJKSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)CC1 ZINC001021470021 676119192 /nfs/dbraw/zinc/11/91/92/676119192.db2.gz ROWVJFYEQXMWHI-YQQQUEKLSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614301 675264672 /nfs/dbraw/zinc/26/46/72/675264672.db2.gz UFNQSZZGDOTLIE-MKXGPGLRSA-N 2 0 327.472 2.145 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001021090353 675716274 /nfs/dbraw/zinc/71/62/74/675716274.db2.gz TVTOLKAYEAFRHM-WGSAOQKQSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCC)CC[C@H]32)CC1 ZINC001021740396 676399670 /nfs/dbraw/zinc/39/96/70/676399670.db2.gz SMXFXQIQZGXODX-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CCC2(C1)CCOCC2 ZINC000262804249 679553962 /nfs/dbraw/zinc/55/39/62/679553962.db2.gz RSWJOOYDRIEKDN-KRWDZBQOSA-N 2 0 336.524 2.329 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001024162605 679829268 /nfs/dbraw/zinc/82/92/68/679829268.db2.gz XLVPXJYDIOFXHP-MOPGFXCFSA-N 2 0 342.487 2.227 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479952 679962506 /nfs/dbraw/zinc/96/25/06/679962506.db2.gz VEJDERXIJPGGRP-RTBURBONSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591492 681232475 /nfs/dbraw/zinc/23/24/75/681232475.db2.gz HXNZOZSSRIMHSP-PKOBYXMFSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624856 681835444 /nfs/dbraw/zinc/83/54/44/681835444.db2.gz UDSUKVLPBNOURT-NRSPTQNISA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492777 682918178 /nfs/dbraw/zinc/91/81/78/682918178.db2.gz FBWOZNLWVOUUCV-HKUYNNGSSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001026404164 684576584 /nfs/dbraw/zinc/57/65/84/684576584.db2.gz PWZQZPCCSOZOEN-BHYGNILZSA-N 2 0 328.460 2.164 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1 ZINC000124871651 686141958 /nfs/dbraw/zinc/14/19/58/686141958.db2.gz JGQPPICBWXTLMJ-MRXNPFEDSA-N 2 0 338.883 2.245 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000985759484 687635126 /nfs/dbraw/zinc/63/51/26/687635126.db2.gz SJAAIAVWBDXNSR-UHFFFAOYSA-N 2 0 336.867 2.437 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411273 687977298 /nfs/dbraw/zinc/97/72/98/687977298.db2.gz OCSVKMGSLKBEEO-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C)CC1 ZINC000987578933 689853369 /nfs/dbraw/zinc/85/33/69/689853369.db2.gz YYNLJJDZASPSIV-YLJYHZDGSA-N 2 0 343.515 2.411 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001027487424 692365231 /nfs/dbraw/zinc/36/52/31/692365231.db2.gz UCVPNVFJPOGJEO-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541929 692788336 /nfs/dbraw/zinc/78/83/36/692788336.db2.gz DGDINJRXENBCRR-RTBURBONSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978269686 693435263 /nfs/dbraw/zinc/43/52/63/693435263.db2.gz KLPXIVRCLFCPAD-AKHDSKFASA-N 2 0 331.504 2.264 20 30 EEEDRP C=C(Cl)CN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001493435982 1176752835 /nfs/dbraw/zinc/75/28/35/1176752835.db2.gz OMHHLMYTHKTHFJ-UHFFFAOYSA-N 2 0 339.911 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)CCC=C)[C@H](C)C2)CC1 ZINC001107033805 1192848149 /nfs/dbraw/zinc/84/81/49/1192848149.db2.gz BEMDRBCEUDSVBF-WSTZPKSXSA-N 2 0 345.531 2.370 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001482024799 1183150488 /nfs/dbraw/zinc/15/04/88/1183150488.db2.gz LADSGJDXRFDFCM-WGSAOQKQSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001105474725 1188040433 /nfs/dbraw/zinc/04/04/33/1188040433.db2.gz QNNXWMMIFUEESG-QPIRBTGLSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105572513 1188186910 /nfs/dbraw/zinc/18/69/10/1188186910.db2.gz TYGXTDBJVUQLSR-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574556 1188188636 /nfs/dbraw/zinc/18/86/36/1188188636.db2.gz BBWZVXRENQJESJ-QZTJIDSGSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105574558 1188188691 /nfs/dbraw/zinc/18/86/91/1188188691.db2.gz BBWZVXRENQJESJ-ZWKOTPCHSA-N 2 0 331.504 2.102 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001483733931 1190846747 /nfs/dbraw/zinc/84/67/47/1190846747.db2.gz KBGSHDPWDAIEJV-GOSISDBHSA-N 2 0 340.471 2.169 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001484983338 1191601467 /nfs/dbraw/zinc/60/14/67/1191601467.db2.gz WCCCPWDCDAHTBO-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)CN1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034429713 1196212944 /nfs/dbraw/zinc/21/29/44/1196212944.db2.gz AGUYJKDHXZPQGS-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001132374898 1199636408 /nfs/dbraw/zinc/63/64/08/1199636408.db2.gz AOUBDKDRYQLTIW-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001133091930 1200434094 /nfs/dbraw/zinc/43/40/94/1200434094.db2.gz WNVJFSFPMMPGAZ-QFBILLFUSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133249337 1200640249 /nfs/dbraw/zinc/64/02/49/1200640249.db2.gz DBLFXUSNVGTIHI-PXNSSMCTSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133338429 1200762098 /nfs/dbraw/zinc/76/20/98/1200762098.db2.gz VLXYWGQXNJFTLC-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cncc(C#N)c3)CC2)C1 ZINC001275026802 1205235808 /nfs/dbraw/zinc/23/58/08/1205235808.db2.gz BLKAFPPEOCCVNL-UHFFFAOYSA-N 2 0 341.503 2.193 20 30 EEEDRP Cn1cccc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001275233524 1205287904 /nfs/dbraw/zinc/28/79/04/1205287904.db2.gz FEEBWUAVGWIMSV-UHFFFAOYSA-N 2 0 337.471 2.333 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001275957012 1205603147 /nfs/dbraw/zinc/60/31/47/1205603147.db2.gz RZKSZPFJRMEJJQ-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccon4)C[C@H]3CC2)cc1C#N ZINC001276071290 1205760405 /nfs/dbraw/zinc/76/04/05/1205760405.db2.gz SNKJENABFQNLIA-CALCHBBNSA-N 2 0 339.443 2.229 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722853 1208687054 /nfs/dbraw/zinc/68/70/54/1208687054.db2.gz MHLSYOHEMBCYRJ-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948985472 1209489780 /nfs/dbraw/zinc/48/97/80/1209489780.db2.gz DZOJSGMJQDKHMQ-MJGOQNOKSA-N 2 0 327.472 2.230 20 30 EEEDRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000303897867 1213922260 /nfs/dbraw/zinc/92/22/60/1213922260.db2.gz VFQUQEZMMAGRNL-INIZCTEOSA-N 2 0 347.507 2.084 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957545260 1215198731 /nfs/dbraw/zinc/19/87/31/1215198731.db2.gz KCAYZRIAHWZPGL-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000304749112 1216102370 /nfs/dbraw/zinc/10/23/70/1216102370.db2.gz HNGMFZHKSLLVGD-HNNXBMFYSA-N 2 0 332.448 2.449 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000304751997 1216102684 /nfs/dbraw/zinc/10/26/84/1216102684.db2.gz JUKOHUVOVOMFQU-MOPGFXCFSA-N 3 0 343.519 2.040 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000960305255 1216483229 /nfs/dbraw/zinc/48/32/29/1216483229.db2.gz WTQKWSLKBVISOK-XFQXTVEOSA-N 2 0 327.472 2.276 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197843 1217083390 /nfs/dbraw/zinc/08/33/90/1217083390.db2.gz HANPASOXNWMOEV-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961440148 1217190947 /nfs/dbraw/zinc/19/09/47/1217190947.db2.gz JYTQYOUTYXFJKR-RTBURBONSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961789458 1217329994 /nfs/dbraw/zinc/32/99/94/1217329994.db2.gz NFNXJRCJWRDUSX-PMOLBWCYSA-N 2 0 341.499 2.417 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C#N)C1 ZINC000961992209 1217439863 /nfs/dbraw/zinc/43/98/63/1217439863.db2.gz JPOHPHLHXNBEIL-PPSBMQLTSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963390116 1217587454 /nfs/dbraw/zinc/58/74/54/1217587454.db2.gz JINUFOAHDAMZOU-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001037942458 1220579357 /nfs/dbraw/zinc/57/93/57/1220579357.db2.gz UCTSXKXCKVUYNK-IEBWSBKVSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCC3)[C@@H](CC)C2)CC1 ZINC001037984374 1220883720 /nfs/dbraw/zinc/88/37/20/1220883720.db2.gz RMLWJFLDBRQGDI-ICSRJNTNSA-N 2 0 345.531 2.348 20 30 EEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990842 1221723005 /nfs/dbraw/zinc/72/30/05/1221723005.db2.gz OQQAWKXPHGCAPV-RTBURBONSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001007518415 1222273252 /nfs/dbraw/zinc/27/32/52/1222273252.db2.gz AQNFNCNDDOASTK-OALUTQOASA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001016335831 1226359247 /nfs/dbraw/zinc/35/92/47/1226359247.db2.gz GBZWATRGPBOYPF-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018990787 1228610272 /nfs/dbraw/zinc/61/02/72/1228610272.db2.gz PQLRSOGINXTQOF-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314019 1231165027 /nfs/dbraw/zinc/16/50/27/1231165027.db2.gz QNDSJTWZZPMHFI-UYAOXDASSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433242 1231229904 /nfs/dbraw/zinc/22/99/04/1231229904.db2.gz VAZFULYHZUUPDI-UYAOXDASSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464153 1231247255 /nfs/dbraw/zinc/24/72/55/1231247255.db2.gz LYLCIGIGRCJENP-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041680814 1231648220 /nfs/dbraw/zinc/64/82/20/1231648220.db2.gz VULHQLNXABRBKS-VQTJNVASSA-N 2 0 349.494 2.147 20 30 EEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047255590 1235758764 /nfs/dbraw/zinc/75/87/64/1235758764.db2.gz BGASKGQXHJISOT-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234404 1240337307 /nfs/dbraw/zinc/33/73/07/1240337307.db2.gz DVVHETHBQFWSJM-IYBDPMFKSA-N 2 0 325.884 2.005 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821034 1242308013 /nfs/dbraw/zinc/30/80/13/1242308013.db2.gz QXTNCTTWIBMIHZ-RTBURBONSA-N 2 0 331.504 2.195 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001050543435 1243814563 /nfs/dbraw/zinc/81/45/63/1243814563.db2.gz CZNBDYKXVPWLKW-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001050573377 1243867174 /nfs/dbraw/zinc/86/71/74/1243867174.db2.gz JVSKQIBLOAPNAG-UHFFFAOYSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001050731258 1244235210 /nfs/dbraw/zinc/23/52/10/1244235210.db2.gz AHCLSGHFABIGCF-UHFFFAOYSA-N 2 0 328.460 2.262 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cccc2C1 ZINC001051298442 1245497195 /nfs/dbraw/zinc/49/71/95/1245497195.db2.gz QUEOOSORZXDCSU-IRXDYDNUSA-N 2 0 339.483 2.024 20 30 EEEDRP N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937412 1245513265 /nfs/dbraw/zinc/51/32/65/1245513265.db2.gz KMZXPMVVRMNEPI-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028335 1245711647 /nfs/dbraw/zinc/71/16/47/1245711647.db2.gz LDXQDKUXYBZGKW-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099886 1245904053 /nfs/dbraw/zinc/90/40/53/1245904053.db2.gz BYZSIPHYXWBZGP-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101574881 1245979402 /nfs/dbraw/zinc/97/94/02/1245979402.db2.gz HZUDLEVCUDDQNW-WMZOPIPTSA-N 2 0 333.520 2.062 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001052255274 1246782541 /nfs/dbraw/zinc/78/25/41/1246782541.db2.gz YPTVENQIETUOBK-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054144180 1247515070 /nfs/dbraw/zinc/51/50/70/1247515070.db2.gz RIOYJVGPHYJVJB-CTNGQTDRSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001099553713 1258202968 /nfs/dbraw/zinc/20/29/68/1258202968.db2.gz VSEIJVIYHUVJHD-VJANTYMQSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001185468191 1278654238 /nfs/dbraw/zinc/65/42/38/1278654238.db2.gz AKQBCALSNYZQPN-VQIMIIECSA-N 2 0 333.520 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185740865 1278768417 /nfs/dbraw/zinc/76/84/17/1278768417.db2.gz FOTSHFAKQIZQIP-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)C)C2)CC1 ZINC001194246459 1282956080 /nfs/dbraw/zinc/95/60/80/1282956080.db2.gz MRPPADRBTYNUIC-LJQANCHMSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)CC1 ZINC001194247759 1282957131 /nfs/dbraw/zinc/95/71/31/1282957131.db2.gz ZMVGGKPWEULEFS-GOSISDBHSA-N 2 0 337.483 2.004 20 30 EEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885661 1285412744 /nfs/dbraw/zinc/41/27/44/1285412744.db2.gz NYRNQDLLBOSBNX-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC001201238943 1289374118 /nfs/dbraw/zinc/37/41/18/1289374118.db2.gz DUQXAJOHLDYKDU-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202060209 1289894040 /nfs/dbraw/zinc/89/40/40/1289894040.db2.gz VEVDSOWHDBJIRP-SFHVURJKSA-N 2 0 339.524 2.260 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202087301 1289912326 /nfs/dbraw/zinc/91/23/26/1289912326.db2.gz KKXOUPALXWJBHE-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001202217133 1289943739 /nfs/dbraw/zinc/94/37/39/1289943739.db2.gz JIUPUUFNDKSDEI-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213592985 1296101913 /nfs/dbraw/zinc/10/19/13/1296101913.db2.gz IOMBLBMILRAIIC-KZNAEPCWSA-N 2 0 339.524 2.134 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213712890 1296144215 /nfs/dbraw/zinc/14/42/15/1296144215.db2.gz GFGPLSQIALEIOB-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001073850409 1297599668 /nfs/dbraw/zinc/59/96/68/1297599668.db2.gz BSBSZENYJHGUHF-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116392 1297932161 /nfs/dbraw/zinc/93/21/61/1297932161.db2.gz MKMVAIKITIRJIH-SFHVURJKSA-N 2 0 330.476 2.499 20 30 EEEDRP CC(C)(C)[C@H]([NH3+])CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643528 1298485407 /nfs/dbraw/zinc/48/54/07/1298485407.db2.gz JEVKGKXNSUZQTP-QGZVFWFLSA-N 2 0 342.487 2.424 20 30 EEEDRP C#CCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979732 1300639398 /nfs/dbraw/zinc/63/93/98/1300639398.db2.gz LUXATMOZXXXSAR-TZIWHRDSSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001226613849 1301479513 /nfs/dbraw/zinc/47/95/13/1301479513.db2.gz LYBJMGKJQYHCTJ-KURKYZTESA-N 2 0 337.508 2.080 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103086649 1302193787 /nfs/dbraw/zinc/19/37/87/1302193787.db2.gz LTADMTQCJFUVOQ-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001228365773 1302226825 /nfs/dbraw/zinc/22/68/25/1302226825.db2.gz IVWDOHZFVBNMRT-QZTJIDSGSA-N 2 0 346.450 2.166 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229047107 1302588328 /nfs/dbraw/zinc/58/83/28/1302588328.db2.gz WBXHBABOFXEUDZ-QZTJIDSGSA-N 2 0 347.507 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C)CC1 ZINC001103752358 1303296101 /nfs/dbraw/zinc/29/61/01/1303296101.db2.gz BGZQHHDQZWDLJD-IEBWSBKVSA-N 2 0 333.520 2.062 20 30 EEEDRP C=C(C)CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923240 1303547673 /nfs/dbraw/zinc/54/76/73/1303547673.db2.gz FZRWCOSHRPGUEE-UHFFFAOYSA-N 2 0 344.503 2.452 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(C#N)c1 ZINC000799597190 1305319525 /nfs/dbraw/zinc/31/95/25/1305319525.db2.gz LECUAOUZYIODAC-LJQANCHMSA-N 2 0 342.487 2.355 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591871 1305464282 /nfs/dbraw/zinc/46/42/82/1305464282.db2.gz JKCUVXYRMSGYCQ-MSOLQXFVSA-N 2 0 331.504 2.435 20 30 EEEDRP Cn1cc(C[NH2+][C@]23CC[C@](NCCC[NH+](C)C)(C2)CCC3)cc1C#N ZINC001278049420 1305789642 /nfs/dbraw/zinc/78/96/42/1305789642.db2.gz JKANVEUECILKHX-VQTJNVASSA-N 2 0 343.519 2.373 20 30 EEEDRP COC(=O)c1ccc(C(=[NH2+])NC2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246306739 1310277199 /nfs/dbraw/zinc/27/71/99/1310277199.db2.gz YEJXEDIDORJIJP-UHFFFAOYSA-N 2 0 329.444 2.491 20 30 EEEDRP C#CCOc1ccc(C[N@@H+](CCOC)C2CCN(C)CC2)cc1OC ZINC001138345467 1314603037 /nfs/dbraw/zinc/60/30/37/1314603037.db2.gz IFFFCUHWFJLCNR-UHFFFAOYSA-N 2 0 346.471 2.250 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)CC1 ZINC001142928690 1315802484 /nfs/dbraw/zinc/80/24/84/1315802484.db2.gz HPNPYJCNSXECLZ-UHFFFAOYSA-N 2 0 337.471 2.251 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149863187 1316071612 /nfs/dbraw/zinc/07/16/12/1316071612.db2.gz YQLRFOIYEWAOCR-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150300007 1316230124 /nfs/dbraw/zinc/23/01/24/1316230124.db2.gz XAEIHSZJVIJMCH-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001151174532 1316466597 /nfs/dbraw/zinc/46/65/97/1316466597.db2.gz DKTCLHZSLTZSGT-ZWKOTPCHSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001151216099 1316478686 /nfs/dbraw/zinc/47/86/86/1316478686.db2.gz DWFDUIRYFLCLOQ-UHFFFAOYSA-N 2 0 342.443 2.121 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001151405752 1316522683 /nfs/dbraw/zinc/52/26/83/1316522683.db2.gz GSRBDOJXWHRGFQ-IBGZPJMESA-N 2 0 349.519 2.036 20 30 EEEDRP N#CC1CCC([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001256966465 1318906069 /nfs/dbraw/zinc/90/60/69/1318906069.db2.gz IYFPLVKMDGHZAD-UHFFFAOYSA-N 2 0 327.476 2.419 20 30 EEEDRP C[NH+]1CCC(N(c2ncc(C#N)cc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158574760 1319316118 /nfs/dbraw/zinc/31/61/18/1319316118.db2.gz FBZTWAQWALWUJF-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)(COC)CC1 ZINC001162435340 1320857678 /nfs/dbraw/zinc/85/76/78/1320857678.db2.gz ZTKNPIAPCUOCMG-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162810498 1320965213 /nfs/dbraw/zinc/96/52/13/1320965213.db2.gz KXPSELODWANZHU-UYAOXDASSA-N 2 0 341.499 2.011 20 30 EEEDRP CN(C)/C=[NH+]/c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1C#N ZINC001163286202 1321088274 /nfs/dbraw/zinc/08/82/74/1321088274.db2.gz ZQAFQLIGXBIENP-VWZLWDPZSA-N 2 0 341.459 2.350 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+]1CCCC1 ZINC001163833856 1321229416 /nfs/dbraw/zinc/22/94/16/1321229416.db2.gz SVINULWWFSCFPC-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCC(C)C)C23CCC3)CC1 ZINC001203774233 1321958393 /nfs/dbraw/zinc/95/83/93/1321958393.db2.gz ZJCQMAKVCWJUPA-RBUKOAKNSA-N 2 0 345.531 2.395 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001263121469 1322435855 /nfs/dbraw/zinc/43/58/55/1322435855.db2.gz XMGWTFINMNOHCR-MAUKXSAKSA-N 2 0 330.476 2.407 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206274833 1323443758 /nfs/dbraw/zinc/44/37/58/1323443758.db2.gz LMIBDVRTPPDQPT-LJQANCHMSA-N 2 0 337.483 2.050 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001206346843 1323465730 /nfs/dbraw/zinc/46/57/30/1323465730.db2.gz MWLDXDJHLICHGA-UXHICEINSA-N 2 0 341.499 2.346 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209939377 1325105295 /nfs/dbraw/zinc/10/52/95/1325105295.db2.gz DBEZTOIPFSWMPL-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001491685928 1330205570 /nfs/dbraw/zinc/20/55/70/1330205570.db2.gz ZVQSKFXEVHQIPB-CQSZACIVSA-N 2 0 334.489 2.090 20 30 EEEDRP C#CC[N@@H+](CCC(=O)N1CCN(C)CC1)[C@@H]1CCCc2ccccc21 ZINC001308105130 1331563014 /nfs/dbraw/zinc/56/30/14/1331563014.db2.gz XBKQMQLNMMLYDW-HXUWFJFHSA-N 2 0 339.483 2.163 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC001335367476 1336367853 /nfs/dbraw/zinc/36/78/53/1336367853.db2.gz MTFIFMOMUOEBMH-QZTJIDSGSA-N 2 0 348.487 2.095 20 30 EEEDRP CN(CCC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001673450845 1356692505 /nfs/dbraw/zinc/69/25/05/1356692505.db2.gz ZPPIGDPRRPVZQU-FQEVSTJZSA-N 2 0 341.499 2.303 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001185715587 1368163811 /nfs/dbraw/zinc/16/38/11/1368163811.db2.gz FYLJJMKYWAYMOH-MSOLQXFVSA-N 2 0 347.890 2.222 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557050 1368819895 /nfs/dbraw/zinc/81/98/95/1368819895.db2.gz CJBYYEMRKKLXGP-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCCO1 ZINC001202140857 1368879094 /nfs/dbraw/zinc/87/90/94/1368879094.db2.gz HFZYHBYIQMMYIM-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633828 1370900424 /nfs/dbraw/zinc/90/04/24/1370900424.db2.gz HVFVBZVUZSLGFB-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C[NH+](C)C[C@](C)(C=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000834967078 1372579416 /nfs/dbraw/zinc/57/94/16/1372579416.db2.gz XJAHJMUGBQZLSG-SCTDSRPQSA-N 2 0 327.476 2.352 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001368546344 1374431563 /nfs/dbraw/zinc/43/15/63/1374431563.db2.gz HGFIVFDVDKMKIU-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccccc2C#N)CC1 ZINC001369190577 1374499677 /nfs/dbraw/zinc/49/96/77/1374499677.db2.gz MCHFTTUIWYBVIH-UHFFFAOYSA-N 2 0 342.487 2.323 20 30 EEEDRP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001371466345 1375464361 /nfs/dbraw/zinc/46/43/61/1375464361.db2.gz PNJPPKZTLGROHU-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001373004339 1376349773 /nfs/dbraw/zinc/34/97/73/1376349773.db2.gz XGJYSIXDCHMJBV-AWEZNQCLSA-N 2 0 327.900 2.440 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001375757120 1377974381 /nfs/dbraw/zinc/97/43/81/1377974381.db2.gz PKZRAYAKHHJMCB-KBPBESRZSA-N 2 0 346.313 2.062 20 30 EEEDRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001377077910 1378964279 /nfs/dbraw/zinc/96/42/79/1378964279.db2.gz CWRCUIAXMSMZRJ-KRWDZBQOSA-N 2 0 342.487 2.275 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001377414845 1379222041 /nfs/dbraw/zinc/22/20/41/1379222041.db2.gz NXRIZOQOSDPPFN-RBUKOAKNSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001377696431 1379452586 /nfs/dbraw/zinc/45/25/86/1379452586.db2.gz JGTMLIUYLFSAIW-OAHLLOKOSA-N 2 0 325.884 2.196 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001380288998 1381153548 /nfs/dbraw/zinc/15/35/48/1381153548.db2.gz FWPXURZLELMSBD-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001382336032 1382073436 /nfs/dbraw/zinc/07/34/36/1382073436.db2.gz AEWMEEPWYKPNBP-HZPDHXFCSA-N 2 0 327.900 2.345 20 30 EEEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885769 1389685924 /nfs/dbraw/zinc/68/59/24/1389685924.db2.gz HEUTVFVDDZIFNB-VQIMIIECSA-N 2 0 342.487 2.273 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001392183925 1389873594 /nfs/dbraw/zinc/87/35/94/1389873594.db2.gz SMMQVJRXMCWHMH-APWZRJJASA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001755002656 1407022877 /nfs/dbraw/zinc/02/28/77/1407022877.db2.gz WCZNCIRMSYFBJF-MJGOQNOKSA-N 2 0 349.519 2.034 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001426237580 1401979405 /nfs/dbraw/zinc/97/94/05/1401979405.db2.gz LPAWBDZFVXCDIV-UHFFFAOYSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001574970426 1403529661 /nfs/dbraw/zinc/52/96/61/1403529661.db2.gz VSCSZGJPJZRUQV-QAPCUYQASA-N 2 0 329.444 2.086 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755852302 1407905078 /nfs/dbraw/zinc/90/50/78/1407905078.db2.gz RJNHQFFOFUMUNY-UONOGXRCSA-N 2 0 335.414 2.273 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544557 1410728884 /nfs/dbraw/zinc/72/88/84/1410728884.db2.gz XPSPOEPGVCEOER-GUDVDZBRSA-N 2 0 335.536 2.450 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112397247 1410895425 /nfs/dbraw/zinc/89/54/25/1410895425.db2.gz YRHWXMZWMCSITC-BJLQDIEVSA-N 2 0 333.520 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104354112 759678727 /nfs/dbraw/zinc/67/87/27/759678727.db2.gz RXTGCNRXBHLATM-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C[C@H](C)O2 ZINC001098609445 765423379 /nfs/dbraw/zinc/42/33/79/765423379.db2.gz BUOADQLMFSWFBM-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908126 765546874 /nfs/dbraw/zinc/54/68/74/765546874.db2.gz KIFDXZORTRZQNB-VNQPRFMTSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106768 782921713 /nfs/dbraw/zinc/92/17/13/782921713.db2.gz PXHVNCCBDNIRCV-UWVAXJGDSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089646267 773682717 /nfs/dbraw/zinc/68/27/17/773682717.db2.gz NBSNHLVFJJNPQN-QZTJIDSGSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216240 774126125 /nfs/dbraw/zinc/12/61/25/774126125.db2.gz RBBBRTJKBBYMTJ-HRCADAONSA-N 2 0 337.895 2.051 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686762 774319625 /nfs/dbraw/zinc/31/96/25/774319625.db2.gz YDGQCJKLXNYWOT-OKZBNKHCSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC000980479524 774705306 /nfs/dbraw/zinc/70/53/06/774705306.db2.gz XHRORRVBWRVSCB-FQEVSTJZSA-N 2 0 343.515 2.365 20 30 EEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725718 774786284 /nfs/dbraw/zinc/78/62/84/774786284.db2.gz KYGZNQJJCACHHV-MRXNPFEDSA-N 2 0 342.487 2.391 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1ncc[nH]1 ZINC001089802380 775830045 /nfs/dbraw/zinc/83/00/45/775830045.db2.gz FJVWNVQSZSQRNI-FZKCQIBNSA-N 2 0 348.878 2.264 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614484 790450256 /nfs/dbraw/zinc/45/02/56/790450256.db2.gz QYGFBUHPCXQWDN-HKUYNNGSSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3CCCC3)C2)CC1 ZINC001091377593 790505397 /nfs/dbraw/zinc/50/53/97/790505397.db2.gz OJQZSVHSPSEJTF-UHFFFAOYSA-N 2 0 331.504 2.006 20 30 EEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981807922 778251597 /nfs/dbraw/zinc/25/15/97/778251597.db2.gz DPHWYNZXCBGCOV-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000261691278 780368777 /nfs/dbraw/zinc/36/87/77/780368777.db2.gz ILBIOOKQJSFDIU-KSZLIROESA-N 2 0 346.519 2.126 20 30 EEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982475202 780523379 /nfs/dbraw/zinc/52/33/79/780523379.db2.gz MHXIKYQINWFGNF-QGZVKYPTSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396182 781907541 /nfs/dbraw/zinc/90/75/41/781907541.db2.gz IVPLSRNIBGEROH-HXUWFJFHSA-N 2 0 345.531 2.443 20 30 EEEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC001135478090 783868902 /nfs/dbraw/zinc/86/89/02/783868902.db2.gz WHWWOMOXUHJKDW-SFHVURJKSA-N 2 0 348.466 2.270 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035183978 784018575 /nfs/dbraw/zinc/01/85/75/784018575.db2.gz CEOQYOKKJJGWOK-RTBURBONSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035197112 784029624 /nfs/dbraw/zinc/02/96/24/784029624.db2.gz ILYCSJRTVZDKDF-MOPGFXCFSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243951 784174790 /nfs/dbraw/zinc/17/47/90/784174790.db2.gz FMZHYLCURZZJPC-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP CC1CC[NH+](CC(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001135688344 784248195 /nfs/dbraw/zinc/24/81/95/784248195.db2.gz MRVYAJPJJYXKHT-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001035611449 784849248 /nfs/dbraw/zinc/84/92/48/784849248.db2.gz GMANPRKHSNGDGH-GOSISDBHSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741391 785056711 /nfs/dbraw/zinc/05/67/11/785056711.db2.gz MKHVEIMHCQNULQ-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810453 785209322 /nfs/dbraw/zinc/20/93/22/785209322.db2.gz LTYNWXVGJGHTFM-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478689 786433918 /nfs/dbraw/zinc/43/39/18/786433918.db2.gz TUQQHGAUVRLXEI-ZBFHGGJFSA-N 2 0 325.884 2.194 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165007 787557290 /nfs/dbraw/zinc/55/72/90/787557290.db2.gz AFWHCWJNEUUHTC-IBGZPJMESA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735545 787671765 /nfs/dbraw/zinc/67/17/65/787671765.db2.gz KQBZXJPYINBGJK-QGZVFWFLSA-N 2 0 345.443 2.218 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000923288904 789316964 /nfs/dbraw/zinc/31/69/64/789316964.db2.gz MHWZDYVZKNFIBR-KBAYOESNSA-N 2 0 348.487 2.223 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001146584477 791337043 /nfs/dbraw/zinc/33/70/43/791337043.db2.gz SMTQXOPUUSLLSS-QZTJIDSGSA-N 2 0 341.499 2.405 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939625 793027811 /nfs/dbraw/zinc/02/78/11/793027811.db2.gz VZQBNENXVMVDAQ-FHWLQOOXSA-N 2 0 345.531 2.443 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899848 793198639 /nfs/dbraw/zinc/19/86/39/793198639.db2.gz YZSWAMKDSHUSCL-SJORKVTESA-N 2 0 339.524 2.015 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998899089 793537347 /nfs/dbraw/zinc/53/73/47/793537347.db2.gz QQAVCXKFIFCMCT-QQFBHYJXSA-N 2 0 327.900 2.296 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092100997 793560274 /nfs/dbraw/zinc/56/02/74/793560274.db2.gz JNIGAPYBHYROLW-QUCCMNQESA-N 2 0 327.472 2.328 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517859 793853061 /nfs/dbraw/zinc/85/30/61/793853061.db2.gz JXGRDVBUEWBMCV-OWCLPIDISA-N 2 0 325.884 2.004 20 30 EEEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000999189086 793975462 /nfs/dbraw/zinc/97/54/62/793975462.db2.gz HZGWRZZKRIHSRD-JKIFEVAISA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079210872 794460739 /nfs/dbraw/zinc/46/07/39/794460739.db2.gz FTHLCXZFKDYESP-YTQUADARSA-N 2 0 345.462 2.238 20 30 EEEDRP N#Cc1cccc(C[N@@H+]2CC[C@@]3(NC(=O)Cn4ccnc4)CCC[C@@H]23)c1 ZINC000992525075 794499625 /nfs/dbraw/zinc/49/96/25/794499625.db2.gz VVCYNMZIYQGMSO-QUCCMNQESA-N 2 0 349.438 2.068 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001093223927 794879168 /nfs/dbraw/zinc/87/91/68/794879168.db2.gz JKFJSXBEVNHENO-YLJYHZDGSA-N 2 0 347.547 2.452 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794960 794950538 /nfs/dbraw/zinc/95/05/38/794950538.db2.gz WXPSBOURJDWSRI-CVEARBPZSA-N 2 0 325.884 2.194 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360948 795087055 /nfs/dbraw/zinc/08/70/55/795087055.db2.gz GOGSGMIPSOMIPI-RBUKOAKNSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858720 795508353 /nfs/dbraw/zinc/50/83/53/795508353.db2.gz DBQVBSKZJHOZHJ-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430324 796221601 /nfs/dbraw/zinc/22/16/01/796221601.db2.gz LKNKQXIGKGFQMR-QWFCFKBJSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001112555436 806550082 /nfs/dbraw/zinc/55/00/82/806550082.db2.gz SCBUBSLAFIISQC-FPOVZHCZSA-N 2 0 345.531 2.348 20 30 EEEDRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172989317 797182342 /nfs/dbraw/zinc/18/23/42/797182342.db2.gz GOLUDXQNXWQFAZ-HOTGVXAUSA-N 2 0 348.491 2.306 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423271 797443102 /nfs/dbraw/zinc/44/31/02/797443102.db2.gz HZWMOCKPKQDHQG-KRWDZBQOSA-N 2 0 340.471 2.094 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262154 798059115 /nfs/dbraw/zinc/05/91/15/798059115.db2.gz CDDCUFRSTLFFMQ-VQIMIIECSA-N 2 0 339.499 2.487 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994482865 798078444 /nfs/dbraw/zinc/07/84/44/798078444.db2.gz FJEOFXSVEXKWAF-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545570 798267878 /nfs/dbraw/zinc/26/78/78/798267878.db2.gz OYTCHEWDOJGMLE-GUDVDZBRSA-N 2 0 331.504 2.360 20 30 EEEDRP N#Cc1cc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)ccc1F ZINC001176930622 798633908 /nfs/dbraw/zinc/63/39/08/798633908.db2.gz NQOPXIOXJORMGQ-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001177484301 798976599 /nfs/dbraw/zinc/97/65/99/798976599.db2.gz AZRDAEPFRLQASE-HDICACEKSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178708355 799599325 /nfs/dbraw/zinc/59/93/25/799599325.db2.gz TZOFFTDCNZWMNQ-SCTDSRPQSA-N 2 0 331.504 2.243 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001179764230 800095985 /nfs/dbraw/zinc/09/59/85/800095985.db2.gz VCXJIJZZQHTGAX-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=C)Cl)CC1 ZINC001085432886 800497722 /nfs/dbraw/zinc/49/77/22/800497722.db2.gz UXAUZTNEJOMCAM-IAGOWNOFSA-N 2 0 337.895 2.101 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182479319 801202548 /nfs/dbraw/zinc/20/25/48/801202548.db2.gz AJIMTVALCLVHCT-CXAGYDPISA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184681954 802149716 /nfs/dbraw/zinc/14/97/16/802149716.db2.gz ACUDFWDNBLEHAL-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004479475 802183476 /nfs/dbraw/zinc/18/34/76/802183476.db2.gz FXKPHKVGEKUAPD-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184892989 802232654 /nfs/dbraw/zinc/23/26/54/802232654.db2.gz UCDJBBMSQRUYMO-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184892991 802233050 /nfs/dbraw/zinc/23/30/50/802233050.db2.gz UCDJBBMSQRUYMO-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004619031 802496694 /nfs/dbraw/zinc/49/66/94/802496694.db2.gz JPKIYNGMKXWOLV-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001129418536 810832203 /nfs/dbraw/zinc/83/22/03/810832203.db2.gz ULXQEBQYVMNQDB-IBGZPJMESA-N 2 0 327.472 2.007 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001436922754 1088583764 /nfs/dbraw/zinc/58/37/64/1088583764.db2.gz CZGWCSXNRKOYMA-HDJSIYSDSA-N 2 0 334.489 2.088 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001439637270 1092557110 /nfs/dbraw/zinc/55/71/10/1092557110.db2.gz VGOJNEMAVNQDFM-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001448756072 1093828032 /nfs/dbraw/zinc/82/80/32/1093828032.db2.gz ZVRUCUOCKKLUMK-KRWDZBQOSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001496449599 1101040797 /nfs/dbraw/zinc/04/07/97/1101040797.db2.gz OZKMLPIILRPBEI-GJZGRUSLSA-N 2 0 327.900 2.297 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480699311 1106908432 /nfs/dbraw/zinc/90/84/32/1106908432.db2.gz TWZLKYSQTDXEGM-GJZGRUSLSA-N 2 0 348.516 2.479 20 30 EEEDRP C=C(C)Cn1c([C@H]2CCCN2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001523991365 1119947839 /nfs/dbraw/zinc/94/78/39/1119947839.db2.gz KVERJAITZIVCAR-QGZVFWFLSA-N 2 0 344.507 2.295 20 30 EEEDRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000271065915 256204218 /nfs/dbraw/zinc/20/42/18/256204218.db2.gz UIUPONPSVZOHOC-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995215212 782002317 /nfs/dbraw/zinc/00/23/17/782002317.db2.gz TVBHRRPFEDUKDR-RTBURBONSA-N 2 0 340.471 2.029 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccccc1C#N ZINC000299433738 266495199 /nfs/dbraw/zinc/49/51/99/266495199.db2.gz QXGSWMMNIUAWIZ-VAWYXSNFSA-N 2 0 342.487 2.303 20 30 EEEDRP C=C[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000358301075 465045419 /nfs/dbraw/zinc/04/54/19/465045419.db2.gz OQNDUVJPHYFZFR-GJZGRUSLSA-N 2 0 339.505 2.142 20 30 EEEDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000329265706 465284395 /nfs/dbraw/zinc/28/43/95/465284395.db2.gz FJQRBXLBXDCABW-GDBMZVCRSA-N 2 0 331.464 2.050 20 30 EEEDRP C[C@H]1C[NH+](CC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000080628089 463340139 /nfs/dbraw/zinc/34/01/39/463340139.db2.gz PELHVBQAPLLARY-HOTGVXAUSA-N 2 0 325.522 2.454 20 30 EEEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000104162721 463409433 /nfs/dbraw/zinc/40/94/33/463409433.db2.gz BVQDMGYLCGFUKI-MRXNPFEDSA-N 2 0 330.476 2.208 20 30 EEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000543206970 468391734 /nfs/dbraw/zinc/39/17/34/468391734.db2.gz IEKGXCUMHLXEKE-HXUWFJFHSA-N 2 0 326.488 2.353 20 30 EEEDRP CCN(CC)C(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000264123942 464285575 /nfs/dbraw/zinc/28/55/75/464285575.db2.gz VWRTZXPRUJELAD-UHFFFAOYSA-N 2 0 331.508 2.164 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000176267646 464735615 /nfs/dbraw/zinc/73/56/15/464735615.db2.gz ZSIFEBKFAFRECC-UHFFFAOYSA-N 2 0 334.464 2.003 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329389928 465319952 /nfs/dbraw/zinc/31/99/52/465319952.db2.gz SCWZYMXJRHIFJN-INIZCTEOSA-N 2 0 331.464 2.296 20 30 EEEDRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(CC#N)CC1)c1ccccc1 ZINC000548442957 468436634 /nfs/dbraw/zinc/43/66/34/468436634.db2.gz OHQQNTSYJABZGU-GOSISDBHSA-N 2 0 328.460 2.031 20 30 EEEDRP C=CCN1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000352429762 465527144 /nfs/dbraw/zinc/52/71/44/465527144.db2.gz BXARFBQXSRGOLQ-AQNXPRMDSA-N 2 0 339.483 2.227 20 30 EEEDRP C=CCC[C@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352715916 465550736 /nfs/dbraw/zinc/55/07/36/465550736.db2.gz QGSVFBVTZNLEAA-FQEVSTJZSA-N 2 0 331.504 2.063 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000417543396 466880268 /nfs/dbraw/zinc/88/02/68/466880268.db2.gz ULWQAVWFVZSUJA-SJORKVTESA-N 2 0 334.508 2.058 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000433325385 467318275 /nfs/dbraw/zinc/31/82/75/467318275.db2.gz GDCAHINOKAXERP-MAUKXSAKSA-N 2 0 338.459 2.431 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528397527 467681698 /nfs/dbraw/zinc/68/16/98/467681698.db2.gz QMKBWWJHXZASJA-RYQLBKOJSA-N 2 0 331.460 2.103 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000566110147 468144850 /nfs/dbraw/zinc/14/48/50/468144850.db2.gz XZVYKIRTNJRAGV-IBGZPJMESA-N 2 0 332.488 2.476 20 30 EEEDRP CC1CC[NH+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600713814 468629998 /nfs/dbraw/zinc/62/99/98/468629998.db2.gz FKAUHVPTJSUYBN-GOSISDBHSA-N 2 0 331.460 2.010 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767926544 577547402 /nfs/dbraw/zinc/54/74/02/577547402.db2.gz LPQJQUPOFVWKLH-UXHICEINSA-N 2 0 328.456 2.166 20 30 EEEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679611 675161933 /nfs/dbraw/zinc/16/19/33/675161933.db2.gz HCWZMVQJONBARZ-IRXDYDNUSA-N 2 0 331.504 2.101 20 30 EEEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CC[C@]2(CCOC2)C1 ZINC000261656919 676371247 /nfs/dbraw/zinc/37/12/47/676371247.db2.gz AGNIUYCPUNJYMH-LNLFQRSKSA-N 2 0 336.524 2.327 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001023762025 679568979 /nfs/dbraw/zinc/56/89/79/679568979.db2.gz PFQDIRXNRPZLRH-MSOLQXFVSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479950 679962745 /nfs/dbraw/zinc/96/27/45/679962745.db2.gz VEJDERXIJPGGRP-OALUTQOASA-N 2 0 331.504 2.387 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811351 681462936 /nfs/dbraw/zinc/46/29/36/681462936.db2.gz RDNNXLPTLBJLPK-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC000978618303 693751819 /nfs/dbraw/zinc/75/18/19/693751819.db2.gz RRXHZPJSSXQEGY-MKXGPGLRSA-N 2 0 333.520 2.369 20 30 EEEDRP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974608721 685123049 /nfs/dbraw/zinc/12/30/49/685123049.db2.gz XXTMHKAIZWRRCH-WMZOPIPTSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009627771 688045858 /nfs/dbraw/zinc/04/58/58/688045858.db2.gz MKVATWGEYDTSPY-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979097923 694178336 /nfs/dbraw/zinc/17/83/36/694178336.db2.gz AZLKPAXXFZNSRG-LDLYASANSA-N 2 0 327.472 2.232 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833823 688989211 /nfs/dbraw/zinc/98/92/11/688989211.db2.gz ZSCBTKKTUBVSAY-SUMWQHHRSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)[C@H]2C)CC1 ZINC000987566934 689842826 /nfs/dbraw/zinc/84/28/26/689842826.db2.gz CPOKVSAZSOKTCI-CRAIPNDOSA-N 2 0 345.512 2.172 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236890564 694385748 /nfs/dbraw/zinc/38/57/48/694385748.db2.gz LWSSXMXUNKEUQZ-SFHVURJKSA-N 2 0 344.503 2.485 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033740 1192846091 /nfs/dbraw/zinc/84/60/91/1192846091.db2.gz YTHPUMNDLWGVOB-GDBMZVCRSA-N 2 0 327.900 2.299 20 30 EEEDRP C[NH+]1CCC(CC[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273039683 1194344318 /nfs/dbraw/zinc/34/43/18/1194344318.db2.gz SFCAIFUXZRZPJL-UHFFFAOYSA-N 2 0 346.519 2.337 20 30 EEEDRP C=C(Cl)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364389 1196153416 /nfs/dbraw/zinc/15/34/16/1196153416.db2.gz UBVFMFTVSJYVMM-HRCADAONSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476523 1196266592 /nfs/dbraw/zinc/26/65/92/1196266592.db2.gz DWMROADDKFNQLD-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001034972636 1196929571 /nfs/dbraw/zinc/92/95/71/1196929571.db2.gz GUNUMWNQJYDBET-PBHICJAKSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132125591 1199331597 /nfs/dbraw/zinc/33/15/97/1199331597.db2.gz XDUXSMOWTAFVSI-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584233 1199673414 /nfs/dbraw/zinc/67/34/14/1199673414.db2.gz SBTRFGANHNITRT-HOTGVXAUSA-N 2 0 342.487 2.415 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877202036 1199880126 /nfs/dbraw/zinc/88/01/26/1199880126.db2.gz WUDRSMKXJPXUIG-IBGZPJMESA-N 2 0 342.487 2.426 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001133399355 1200842251 /nfs/dbraw/zinc/84/22/51/1200842251.db2.gz KMMCIRZIKRAVTQ-SFHVURJKSA-N 2 0 349.906 2.478 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cc[nH]n2)CC3)cc1C#N ZINC001275201998 1205279852 /nfs/dbraw/zinc/27/98/52/1205279852.db2.gz IOCCYWBJXSMILS-UHFFFAOYSA-N 2 0 338.459 2.108 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015230955 1224952901 /nfs/dbraw/zinc/95/29/01/1224952901.db2.gz AXHQEMSONDVXDQ-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217456 1208377543 /nfs/dbraw/zinc/37/75/43/1208377543.db2.gz YOQTWRBCDAJGRG-QRVBRYPASA-N 2 0 349.519 2.031 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947567629 1208624048 /nfs/dbraw/zinc/62/40/48/1208624048.db2.gz FYISDELILIAIEG-AEFFLSMTSA-N 2 0 327.472 2.007 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000948056523 1208846745 /nfs/dbraw/zinc/84/67/45/1208846745.db2.gz KQBSPUDKNRODCU-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CCN1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000949487287 1209710231 /nfs/dbraw/zinc/71/02/31/1209710231.db2.gz PEQNHMIKZFOKFN-SFHVURJKSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN(C)c1ccccc1F ZINC000303896096 1213922438 /nfs/dbraw/zinc/92/24/38/1213922438.db2.gz UFCACFXMSKHEAV-OAHLLOKOSA-N 2 0 335.471 2.041 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC000957559076 1215209367 /nfs/dbraw/zinc/20/93/67/1215209367.db2.gz AHPHZNAKDQNCRD-IBGZPJMESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000957628316 1215271224 /nfs/dbraw/zinc/27/12/24/1215271224.db2.gz JOJJAZJEZRESJK-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636106 1215281100 /nfs/dbraw/zinc/28/11/00/1215281100.db2.gz YJFQBAQHXNDKFS-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1cccc(F)c1 ZINC000304850392 1216108939 /nfs/dbraw/zinc/10/89/39/1216108939.db2.gz QTCNSVZULITZRF-HOTGVXAUSA-N 2 0 336.455 2.372 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961261130 1217116168 /nfs/dbraw/zinc/11/61/68/1217116168.db2.gz MTGCRFIOFDSYBF-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289580 1217130467 /nfs/dbraw/zinc/13/04/67/1217130467.db2.gz BWENKXABGRAQPC-RTBURBONSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379117 1217166097 /nfs/dbraw/zinc/16/60/97/1217166097.db2.gz QLUJPBRQDGSLHG-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963346152 1217540008 /nfs/dbraw/zinc/54/00/08/1217540008.db2.gz KFZNHWJRPQJADM-QZTJIDSGSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000962304687 1217602463 /nfs/dbraw/zinc/60/24/63/1217602463.db2.gz CAQANJHJTQVOOT-VNCLNFNDSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000963808669 1218050408 /nfs/dbraw/zinc/05/04/08/1218050408.db2.gz NPWOMAUBNDRKQN-LMBQMVEXSA-N 2 0 337.895 2.098 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000965452073 1219083880 /nfs/dbraw/zinc/08/38/80/1219083880.db2.gz JLQVARZKLHMZRL-UHFFFAOYSA-N 2 0 325.456 2.012 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326082 1221210572 /nfs/dbraw/zinc/21/05/72/1221210572.db2.gz CRFGNIIIIKQINK-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001016820165 1226903357 /nfs/dbraw/zinc/90/33/57/1226903357.db2.gz PDKIZSCMVWYAHK-AEFFLSMTSA-N 2 0 342.487 2.301 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828231 1226908914 /nfs/dbraw/zinc/90/89/14/1226908914.db2.gz DWYIWVSSIFEJAK-GJZGRUSLSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038369979 1229774100 /nfs/dbraw/zinc/77/41/00/1229774100.db2.gz ZHLXWZKQULKIDI-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133957 1230345344 /nfs/dbraw/zinc/34/53/44/1230345344.db2.gz MUPSAGYQNUJPBT-RTBURBONSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139879 1230354852 /nfs/dbraw/zinc/35/48/52/1230354852.db2.gz MCZLZYNJEFUARS-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228535 1230461468 /nfs/dbraw/zinc/46/14/68/1230461468.db2.gz IZWGAXRWRRBNRS-APWZRJJASA-N 2 0 336.439 2.284 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039299088 1230515571 /nfs/dbraw/zinc/51/55/71/1230515571.db2.gz SUEQDINQOIICFY-MVCQKVDPSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)C1 ZINC001040387784 1231200135 /nfs/dbraw/zinc/20/01/35/1231200135.db2.gz JOZLJJAHSBGKLJ-KXBFYZLASA-N 2 0 328.460 2.330 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040731940 1231351222 /nfs/dbraw/zinc/35/12/22/1231351222.db2.gz FSAXQYRLVMUMNB-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757701 1231359745 /nfs/dbraw/zinc/35/97/45/1231359745.db2.gz XGHNHXCCTPURBM-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366966 1232048731 /nfs/dbraw/zinc/04/87/31/1232048731.db2.gz YPXKBFQOMXOUMO-UYAOXDASSA-N 2 0 339.483 2.308 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368458 1232050331 /nfs/dbraw/zinc/05/03/31/1232050331.db2.gz QMEMAHAAXRLMLV-XLIONFOSSA-N 2 0 339.483 2.308 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045200579 1233576814 /nfs/dbraw/zinc/57/68/14/1233576814.db2.gz HKPRDNZMEGWSEK-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001045200580 1233576836 /nfs/dbraw/zinc/57/68/36/1233576836.db2.gz HKPRDNZMEGWSEK-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001045205117 1233579244 /nfs/dbraw/zinc/57/92/44/1233579244.db2.gz DQRLPFQQYSYQKC-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@]3(CC[N@@H+](CCF)C3)C2)CC1 ZINC001045985840 1234280841 /nfs/dbraw/zinc/28/08/41/1234280841.db2.gz CZCCOOPEKCRQAW-HXUWFJFHSA-N 2 0 349.494 2.006 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046849334 1235246806 /nfs/dbraw/zinc/24/68/06/1235246806.db2.gz CWPBHZFHXLVUFS-OAQYLSRUSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001046946510 1235340398 /nfs/dbraw/zinc/34/03/98/1235340398.db2.gz WGYWAJLSDKRXPF-GJZGRUSLSA-N 2 0 329.435 2.120 20 30 EEEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046951370 1235347494 /nfs/dbraw/zinc/34/74/94/1235347494.db2.gz BLOAKWMZQLOHIQ-CABCVRRESA-N 2 0 329.435 2.120 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048531834 1237887539 /nfs/dbraw/zinc/88/75/39/1237887539.db2.gz GVMVTWVIZSEABU-YSTOQKLRSA-N 2 0 345.531 2.347 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049058612 1239884043 /nfs/dbraw/zinc/88/40/43/1239884043.db2.gz GTPPQMMPMYLZOX-FCEWJHQRSA-N 2 0 337.483 2.165 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194168 1240050001 /nfs/dbraw/zinc/05/00/01/1240050001.db2.gz UVZZZYODNCVDOO-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)CN1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000697539 1240753022 /nfs/dbraw/zinc/75/30/22/1240753022.db2.gz XVFZHZAEPLWKBO-JKSUJKDBSA-N 2 0 325.884 2.218 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514652 1241188323 /nfs/dbraw/zinc/18/83/23/1241188323.db2.gz IFYLXYKLFVDNQT-GBESFXJTSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000998695 1241413059 /nfs/dbraw/zinc/41/30/59/1241413059.db2.gz MCKJDDPOYOOZSP-UHFFFAOYSA-N 2 0 339.483 2.176 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049719556 1241983422 /nfs/dbraw/zinc/98/34/22/1241983422.db2.gz MUPPQKOVGGDSNF-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049720938 1241988532 /nfs/dbraw/zinc/98/85/32/1241988532.db2.gz UZOKHZRZTRXHJN-HLIPFELVSA-N 2 0 349.494 2.288 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049767759 1242135531 /nfs/dbraw/zinc/13/55/31/1242135531.db2.gz RAQDQLIZOVFBBN-OTWHNJEPSA-N 2 0 331.504 2.338 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001403632 1242205466 /nfs/dbraw/zinc/20/54/66/1242205466.db2.gz AIZQVIFSKOCUHS-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001001459186 1242310096 /nfs/dbraw/zinc/31/00/96/1242310096.db2.gz FJIHAYYQECLOIF-UHFFFAOYSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049918850 1242708007 /nfs/dbraw/zinc/70/80/07/1242708007.db2.gz MZLPFAREMMIRGV-GUDVDZBRSA-N 2 0 331.504 2.195 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051288998 1245482592 /nfs/dbraw/zinc/48/25/92/1245482592.db2.gz BAUCYDTYFPQWOO-CRAIPNDOSA-N 2 0 327.472 2.187 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)cccc2C1 ZINC001051288882 1245482944 /nfs/dbraw/zinc/48/29/44/1245482944.db2.gz ZAZCIHHPKXTRES-FQEVSTJZSA-N 2 0 339.483 2.167 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027605 1245705705 /nfs/dbraw/zinc/70/57/05/1245705705.db2.gz FKUAVYBORIJJST-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001101596026 1246004895 /nfs/dbraw/zinc/00/48/95/1246004895.db2.gz GHKLJOJEYRXMIB-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001052254719 1246778699 /nfs/dbraw/zinc/77/86/99/1246778699.db2.gz OJMSLYGVNBJGMV-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054101144 1247405831 /nfs/dbraw/zinc/40/58/31/1247405831.db2.gz RHXHJMYXMAELOB-DOTOQJQBSA-N 2 0 325.884 2.148 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133533 1247484145 /nfs/dbraw/zinc/48/41/45/1247484145.db2.gz FMZSSLJUMAHGMY-AZUAARDMSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171472 1247597585 /nfs/dbraw/zinc/59/75/85/1247597585.db2.gz RFWAWZWYKVJGQW-PZJWPPBQSA-N 2 0 343.515 2.199 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175795 1254031472 /nfs/dbraw/zinc/03/14/72/1254031472.db2.gz LEGSEUVQFNIXRM-IEBWSBKVSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C=C/Cl)C3)CC1 ZINC001099174224 1257993529 /nfs/dbraw/zinc/99/35/29/1257993529.db2.gz DVQIHNVSXXWDDU-LOSJWCKOSA-N 2 0 349.906 2.055 20 30 EEEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCCCCC ZINC001099536241 1258194068 /nfs/dbraw/zinc/19/40/68/1258194068.db2.gz KHGZNZVPABBIQN-NMLBUPMWSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099552255 1258200289 /nfs/dbraw/zinc/20/02/89/1258200289.db2.gz KARHBJNSOCICPY-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001100898632 1259410165 /nfs/dbraw/zinc/41/01/65/1259410165.db2.gz RYDPCTKLNUKOMX-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001135436810 1278318616 /nfs/dbraw/zinc/31/86/16/1278318616.db2.gz ADYIGMIWGVUAOG-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C1 ZINC001191020421 1281180262 /nfs/dbraw/zinc/18/02/62/1281180262.db2.gz XHEJWVPVQZQIIF-CQSZACIVSA-N 2 0 348.516 2.383 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 ZINC001192961521 1282247820 /nfs/dbraw/zinc/24/78/20/1282247820.db2.gz ZOXGCEUAVWGTKX-SFHVURJKSA-N 2 0 346.450 2.072 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C1 ZINC001193292396 1282428620 /nfs/dbraw/zinc/42/86/20/1282428620.db2.gz OBPJJWJFVYYFQA-LJQANCHMSA-N 2 0 345.462 2.052 20 30 EEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000105441029 1286389506 /nfs/dbraw/zinc/38/95/06/1286389506.db2.gz OYSJDJYAQXSBQF-QZTJIDSGSA-N 2 0 344.503 2.341 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCCC#N)CC3)cc1C#N ZINC001277943405 1305222625 /nfs/dbraw/zinc/22/26/25/1305222625.db2.gz VZKGIYPWXWESKP-UHFFFAOYSA-N 2 0 325.460 2.488 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148532 1289931089 /nfs/dbraw/zinc/93/10/89/1289931089.db2.gz XMYQXZAGJIMVIS-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702452 1294757074 /nfs/dbraw/zinc/75/70/74/1294757074.db2.gz ZTJFOSWCDLEDAA-IEBWSBKVSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216351628 1297143725 /nfs/dbraw/zinc/14/37/25/1297143725.db2.gz FYNKHLRSVZSABM-BHIYHBOVSA-N 2 0 327.472 2.139 20 30 EEEDRP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219311139 1297981356 /nfs/dbraw/zinc/98/13/56/1297981356.db2.gz SNZDTHRGQBGGBO-QGZVFWFLSA-N 2 0 329.520 2.181 20 30 EEEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000780252143 1298702489 /nfs/dbraw/zinc/70/24/89/1298702489.db2.gz WPXQKANRVWQGED-QGZVFWFLSA-N 2 0 330.476 2.320 20 30 EEEDRP CCCC(C[NH3+])(CCC)NC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001221371980 1298792942 /nfs/dbraw/zinc/79/29/42/1298792942.db2.gz JFMHQWKGGGNLCB-KRWDZBQOSA-N 2 0 330.476 2.232 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059942 1298840294 /nfs/dbraw/zinc/84/02/94/1298840294.db2.gz RHGSUAXEFDQYKY-BJLQDIEVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295727 1299002150 /nfs/dbraw/zinc/00/21/50/1299002150.db2.gz QQYXDYZLMHDVPM-RRFJBIMHSA-N 2 0 347.425 2.273 20 30 EEEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001223578412 1300179882 /nfs/dbraw/zinc/17/98/82/1300179882.db2.gz WPRTZZPEPCRZLX-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103050121 1302129834 /nfs/dbraw/zinc/12/98/34/1302129834.db2.gz SXPVGGPNIVIAFS-BMFZPTHFSA-N 2 0 347.906 2.493 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103756041 1303300988 /nfs/dbraw/zinc/30/09/88/1303300988.db2.gz WGPOCLMKPCQGLP-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155667 1304282763 /nfs/dbraw/zinc/28/27/63/1304282763.db2.gz CSSTXRZGMCDXBV-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166269 1304290498 /nfs/dbraw/zinc/29/04/98/1304290498.db2.gz MAOMNSWRPKNBII-RRFJBIMHSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448478 1309545429 /nfs/dbraw/zinc/54/54/29/1309545429.db2.gz AQXMCTQTFYWRRS-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000836260663 1314979801 /nfs/dbraw/zinc/97/98/01/1314979801.db2.gz YWHQTQHTGFISGP-UHFFFAOYSA-N 2 0 348.535 2.285 20 30 EEEDRP N#Cc1cnn2cc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cnc12 ZINC000843400543 1315908018 /nfs/dbraw/zinc/90/80/18/1315908018.db2.gz SNVJKKGZCWUTCG-UHFFFAOYSA-N 2 0 338.459 2.488 20 30 EEEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149847628 1316065286 /nfs/dbraw/zinc/06/52/86/1316065286.db2.gz GCFBHXUZUDCSKN-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451861 1316268360 /nfs/dbraw/zinc/26/83/60/1316268360.db2.gz ARYZCKTYTAGLAK-ZWKOTPCHSA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001151248488 1316488363 /nfs/dbraw/zinc/48/83/63/1316488363.db2.gz NYFICXKZENZSIA-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067363 1317441683 /nfs/dbraw/zinc/44/16/83/1317441683.db2.gz XOZRQQBCKWTGFQ-VQIMIIECSA-N 2 0 344.503 2.471 20 30 EEEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC001155900290 1317781047 /nfs/dbraw/zinc/78/10/47/1317781047.db2.gz KEIYPVMRYVMNSX-QGZVFWFLSA-N 2 0 347.478 2.346 20 30 EEEDRP CCN(Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200782 1317918372 /nfs/dbraw/zinc/91/83/72/1317918372.db2.gz PUHOMOJEWZFZLV-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C#N)CC2)CC1 ZINC001254509411 1318092004 /nfs/dbraw/zinc/09/20/04/1318092004.db2.gz GDGURXRDQDFEDV-QGZVFWFLSA-N 2 0 340.471 2.237 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927263 1318294133 /nfs/dbraw/zinc/29/41/33/1318294133.db2.gz IYMJNMUVUCACTB-OAHLLOKOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC(C)(C)[NH+]1CCC(NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001256563807 1318781693 /nfs/dbraw/zinc/78/16/93/1318781693.db2.gz GVOKAAUBPFKXDJ-UHFFFAOYSA-N 2 0 337.489 2.058 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001159909776 1320018388 /nfs/dbraw/zinc/01/83/88/1320018388.db2.gz NFIVAUQBVVBPRH-LJQANCHMSA-N 2 0 342.487 2.417 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)C1CCC1 ZINC001159997680 1320045981 /nfs/dbraw/zinc/04/59/81/1320045981.db2.gz XWTJWOJHRVTQOA-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001160273708 1320119450 /nfs/dbraw/zinc/11/94/50/1320119450.db2.gz NRFZDZDJDVCWFK-AWEZNQCLSA-N 2 0 334.489 2.090 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162841335 1320971719 /nfs/dbraw/zinc/97/17/19/1320971719.db2.gz SBBFAADZGKVLCZ-LJQANCHMSA-N 2 0 329.488 2.011 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001166432541 1321719228 /nfs/dbraw/zinc/71/92/28/1321719228.db2.gz IAWRCIRZTKRIBM-SFHVURJKSA-N 2 0 330.476 2.275 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048266 1324287330 /nfs/dbraw/zinc/28/73/30/1324287330.db2.gz FSFOZECIIVQNMM-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001208453702 1324506206 /nfs/dbraw/zinc/50/62/06/1324506206.db2.gz NJBNBBZMJNNGMQ-SFHVURJKSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209650941 1324999734 /nfs/dbraw/zinc/99/97/34/1324999734.db2.gz LVXCAINWUUQAGK-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704711 1338536117 /nfs/dbraw/zinc/53/61/17/1338536117.db2.gz PFNJBCYSPJNGGQ-FUHWJXTLSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001567240675 1342715091 /nfs/dbraw/zinc/71/50/91/1342715091.db2.gz NOGAWHRXCUCPFW-WZMONFQBSA-N 2 0 346.302 2.135 20 30 EEEDRP C#CCCC[NH+]1CCC2(CC1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001273542387 1368247542 /nfs/dbraw/zinc/24/75/42/1368247542.db2.gz UJZZMRVIXIQWHY-UHFFFAOYSA-N 2 0 339.483 2.342 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001122005651 1371940030 /nfs/dbraw/zinc/94/00/30/1371940030.db2.gz QPKPRAZJKOWQSK-ZWKOTPCHSA-N 2 0 339.524 2.245 20 30 EEEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000834362982 1372546389 /nfs/dbraw/zinc/54/63/89/1372546389.db2.gz QMGPTFDBFQGXFH-ROUUACIJSA-N 2 0 341.499 2.394 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001366181687 1373820392 /nfs/dbraw/zinc/82/03/92/1373820392.db2.gz RGCSYXBTCGQQDK-MOPGFXCFSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001370960168 1375167377 /nfs/dbraw/zinc/16/73/77/1375167377.db2.gz IIHXYWLFTKFGGJ-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001390089845 1388434925 /nfs/dbraw/zinc/43/49/25/1388434925.db2.gz GFQXXUGXGVMOHI-IBGZPJMESA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001392194692 1389886192 /nfs/dbraw/zinc/88/61/92/1389886192.db2.gz YJRVOGHWRGLQQA-WMLDXEAASA-N 2 0 348.516 2.288 20 30 EEEDRP N#Cc1ccc(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CC2)s1 ZINC001392959759 1390261918 /nfs/dbraw/zinc/26/19/18/1390261918.db2.gz AYUFCUNICBSVKT-UHFFFAOYSA-N 2 0 346.500 2.234 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001401945159 1397681529 /nfs/dbraw/zinc/68/15/29/1397681529.db2.gz QTBGMLSPNDSUDM-GOSISDBHSA-N 2 0 340.471 2.169 20 30 EEEDRP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001425665418 1401715676 /nfs/dbraw/zinc/71/56/76/1401715676.db2.gz UZLUXJPNPMQGHQ-AWEZNQCLSA-N 2 0 348.516 2.288 20 30 EEEDRP C#CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574515922 1403521666 /nfs/dbraw/zinc/52/16/66/1403521666.db2.gz BEPVZAPHFITKDK-NQIIRXRSSA-N 2 0 339.483 2.255 20 30 EEEDRP C[C@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001576600229 1403588973 /nfs/dbraw/zinc/58/89/73/1403588973.db2.gz ZKEYQTOMTMLXQZ-FXAWDEMLSA-N 2 0 326.488 2.454 20 30 EEEDRP CC[C@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001725413247 1405790664 /nfs/dbraw/zinc/79/06/64/1405790664.db2.gz VQGBNLFXVISSJL-IEBWSBKVSA-N 2 0 329.488 2.253 20 30 EEEDRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001755617334 1407685575 /nfs/dbraw/zinc/68/55/75/1407685575.db2.gz BGQQJULTAYBWJL-LJQANCHMSA-N 2 0 341.499 2.351 20 30 EEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001755851324 1407902866 /nfs/dbraw/zinc/90/28/66/1407902866.db2.gz HTFCXYQFDWMJHN-KBPBESRZSA-N 2 0 335.414 2.273 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232657 1410217983 /nfs/dbraw/zinc/21/79/83/1410217983.db2.gz HJUQHSWXEHINIF-FUSSNKQKSA-N 2 0 331.504 2.005 20 30 EEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001121469043 1410227940 /nfs/dbraw/zinc/22/79/40/1410227940.db2.gz MMRJGZFLSZLWHL-WZXTXQKWSA-N 2 0 331.504 2.454 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632678 1410737331 /nfs/dbraw/zinc/73/73/31/1410737331.db2.gz RPPFBIFKTJTWIG-OPYAIIAOSA-N 2 0 341.499 2.171 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087828848 782322282 /nfs/dbraw/zinc/32/22/82/782322282.db2.gz XFPSHNUHTGHBFW-RRQGHBQHSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595085 762019526 /nfs/dbraw/zinc/01/95/26/762019526.db2.gz JQFQDAXOWVMWEB-UKRRQHHQSA-N 2 0 327.900 2.155 20 30 EEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491153 758072569 /nfs/dbraw/zinc/07/25/69/758072569.db2.gz HKSAAYLAUGZOHN-BJLQDIEVSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112507074 759899700 /nfs/dbraw/zinc/89/97/00/759899700.db2.gz VGKHHWSPNLFUSR-PXNSSMCTSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@H]21 ZINC001087293165 761498731 /nfs/dbraw/zinc/49/87/31/761498731.db2.gz ZKPUTJNETRHGCL-JLSDUUJJSA-N 2 0 336.439 2.415 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087314490 761596207 /nfs/dbraw/zinc/59/62/07/761596207.db2.gz LUWUOKXTFSZXQW-ZACQAIPSSA-N 2 0 331.504 2.264 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980080090 773833455 /nfs/dbraw/zinc/83/34/55/773833455.db2.gz AJQWNFQRXGETMH-KSZLIROESA-N 2 0 331.504 2.408 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980215643 774125526 /nfs/dbraw/zinc/12/55/26/774125526.db2.gz HXXUTPVHKLGLHA-SLFFLAALSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCCC)C[C@H]3C2)CC1 ZINC000980257930 774203060 /nfs/dbraw/zinc/20/30/60/774203060.db2.gz VRDGBUZVOOBEMU-XUVXKRRUSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC)CC1 ZINC001089735445 774814640 /nfs/dbraw/zinc/81/46/40/774814640.db2.gz LCHXNHREPJAIHF-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106910781 774985883 /nfs/dbraw/zinc/98/58/83/774985883.db2.gz OICFEZVSUNEJLD-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(C[NH3+])c3)CC2)c1 ZINC000846700948 790442540 /nfs/dbraw/zinc/44/25/40/790442540.db2.gz KMVSFJQEFKJKOH-UHFFFAOYSA-N 2 0 348.450 2.411 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000981526799 777587329 /nfs/dbraw/zinc/58/73/29/777587329.db2.gz AFIPWALVTVGXRA-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000981813694 778238442 /nfs/dbraw/zinc/23/84/42/778238442.db2.gz QIKWHPICDMRSDM-LJQANCHMSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296084 779606475 /nfs/dbraw/zinc/60/64/75/779606475.db2.gz JLJWBNSCMWQZOA-RLLQIKCJSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394071 781771998 /nfs/dbraw/zinc/77/19/98/781771998.db2.gz NVUGAMZCWKSCNT-IBGZPJMESA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815757 783298476 /nfs/dbraw/zinc/29/84/76/783298476.db2.gz SFWATNNABGKRNS-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001135314713 783597670 /nfs/dbraw/zinc/59/76/70/783597670.db2.gz GAGWPVKYJOYWKF-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC001135341445 783607271 /nfs/dbraw/zinc/60/72/71/783607271.db2.gz WSXIRPGKIMNLFU-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001035051870 783658391 /nfs/dbraw/zinc/65/83/91/783658391.db2.gz SPCQQNQEMQFCLB-VQIMIIECSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035192282 784079774 /nfs/dbraw/zinc/07/97/74/784079774.db2.gz XHZMEJBIHWMEJR-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170841036 784220683 /nfs/dbraw/zinc/22/06/83/784220683.db2.gz FSTVFRWBNPYFSL-KRWDZBQOSA-N 2 0 349.523 2.289 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960706 784900861 /nfs/dbraw/zinc/90/08/61/784900861.db2.gz GMTIYJPDWAJDDQ-ZIAGYGMSSA-N 2 0 348.329 2.500 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1cccnc1)N(C)C)CC2 ZINC001035856908 785297854 /nfs/dbraw/zinc/29/78/54/785297854.db2.gz FLYVGBQJCVHWJY-SFHVURJKSA-N 2 0 342.487 2.185 20 30 EEEDRP C=C(Cl)CN1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005877195 788648832 /nfs/dbraw/zinc/64/88/32/788648832.db2.gz NVHUQWBVKWDNNE-GJZGRUSLSA-N 2 0 327.900 2.392 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859368 788822054 /nfs/dbraw/zinc/82/20/54/788822054.db2.gz RLYKUGNCBUWPHO-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000923371228 789448197 /nfs/dbraw/zinc/44/81/97/789448197.db2.gz WBHYEGVGOOGJKE-APWZRJJASA-N 2 0 348.487 2.141 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001146336831 791180912 /nfs/dbraw/zinc/18/09/12/791180912.db2.gz BEVXRCPZLXJNGE-KGLIPLIRSA-N 2 0 334.489 2.088 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000948825949 791309381 /nfs/dbraw/zinc/30/93/81/791309381.db2.gz ZOJNRZPHHQMCGO-ACBHZAAOSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147347766 791793085 /nfs/dbraw/zinc/79/30/85/791793085.db2.gz DENDCRZSIXAFHF-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)CCC=C)C3)CC1 ZINC001148827933 792703927 /nfs/dbraw/zinc/70/39/27/792703927.db2.gz SDTZKVPIWSQSLT-GOSISDBHSA-N 2 0 343.515 2.221 20 30 EEEDRP CC(C)(CCC#N)c1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001148908469 792776715 /nfs/dbraw/zinc/77/67/15/792776715.db2.gz GDNCOSRHZRRSLA-UHFFFAOYSA-N 2 0 329.448 2.343 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942404 793034822 /nfs/dbraw/zinc/03/48/22/793034822.db2.gz PWTXDNVCXUVUSU-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@@H](F)CC)CC3)CC1 ZINC000992502974 794429082 /nfs/dbraw/zinc/42/90/82/794429082.db2.gz CNMLBEYQDJJECG-NSHGMRRFSA-N 2 0 349.494 2.193 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000999434389 794457603 /nfs/dbraw/zinc/45/76/03/794457603.db2.gz MUVIMVNVRNMIGN-MOPGFXCFSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036747006 794755239 /nfs/dbraw/zinc/75/52/39/794755239.db2.gz CAIILTZTVHEGCS-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107992981 795245672 /nfs/dbraw/zinc/24/56/72/795245672.db2.gz FTIVWCLKDPIJAB-MJGOQNOKSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835139 795340465 /nfs/dbraw/zinc/34/04/65/795340465.db2.gz VJQSRDWGNCPEBX-MSOLQXFVSA-N 2 0 342.487 2.343 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866944 795609344 /nfs/dbraw/zinc/60/93/44/795609344.db2.gz MWQFORTZTQSRBB-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106599427 795922110 /nfs/dbraw/zinc/92/21/10/795922110.db2.gz HRCOPLKGZOBYGW-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115782 796657073 /nfs/dbraw/zinc/65/70/73/796657073.db2.gz NVOYLYIXMXRQGM-ZCNNSNEGSA-N 2 0 339.483 2.077 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001081179774 796679841 /nfs/dbraw/zinc/67/98/41/796679841.db2.gz JNQIPLWHYXWMEU-NZSAHSFTSA-N 2 0 327.472 2.241 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078656961 796777874 /nfs/dbraw/zinc/77/78/74/796777874.db2.gz NGTLIJOMIADJOA-SJORKVTESA-N 2 0 331.504 2.456 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663092 798354230 /nfs/dbraw/zinc/35/42/30/798354230.db2.gz LSRQHZXMDDGCEQ-MDZRGWNJSA-N 2 0 337.483 2.308 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001176981005 798672070 /nfs/dbraw/zinc/67/20/70/798672070.db2.gz WCLOFZZQDXXBPA-UHFFFAOYSA-N 2 0 335.879 2.128 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001177416253 798934207 /nfs/dbraw/zinc/93/42/07/798934207.db2.gz XNEJQWAAASBJOE-GOSISDBHSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001179371273 799903599 /nfs/dbraw/zinc/90/35/99/799903599.db2.gz OBLORMNGIQVABL-SFHVURJKSA-N 2 0 339.524 2.328 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001179982881 800197964 /nfs/dbraw/zinc/19/79/64/800197964.db2.gz GATULYIPXHHGHC-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001180221566 800314379 /nfs/dbraw/zinc/31/43/79/800314379.db2.gz AFFZAGMJNXUNQK-KSSFIOAISA-N 2 0 346.450 2.117 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CCC2)CC1 ZINC001180360580 800377126 /nfs/dbraw/zinc/37/71/26/800377126.db2.gz JGAMJRQSWKFWNF-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001182169676 801047750 /nfs/dbraw/zinc/04/77/50/801047750.db2.gz NQEHRGFHTTWSIK-DYESRHJHSA-N 2 0 341.499 2.112 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207948 801147869 /nfs/dbraw/zinc/14/78/69/801147869.db2.gz TVQORMFFUBMILC-MJGOQNOKSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001183091292 801454362 /nfs/dbraw/zinc/45/43/62/801454362.db2.gz BNZZYTSFUJWHNW-UHFFFAOYSA-N 2 0 331.435 2.254 20 30 EEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001183137956 801493662 /nfs/dbraw/zinc/49/36/62/801493662.db2.gz LRXUFZFAUHHBEC-YFVAEKQCSA-N 2 0 341.499 2.387 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591100 801597183 /nfs/dbraw/zinc/59/71/83/801597183.db2.gz NXUGMHHESRAAHA-CEXWTWQISA-N 2 0 331.504 2.075 20 30 EEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001184171812 801900182 /nfs/dbraw/zinc/90/01/82/801900182.db2.gz QRVLUYCXWDQKQE-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001184411558 802023863 /nfs/dbraw/zinc/02/38/63/802023863.db2.gz DVGMNYQTHRETTN-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438363 802063938 /nfs/dbraw/zinc/06/39/38/802063938.db2.gz OVLAQFTZFIGWDC-RTBURBONSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086110197 802200893 /nfs/dbraw/zinc/20/08/93/802200893.db2.gz XUYGERQPXCDOFT-JQHSSLGASA-N 2 0 345.512 2.139 20 30 EEEDRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001128552694 802965373 /nfs/dbraw/zinc/96/53/73/802965373.db2.gz RVIRVJPHFZNMSS-UHFFFAOYSA-N 2 0 348.497 2.262 20 30 EEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711354 804396400 /nfs/dbraw/zinc/39/64/00/804396400.db2.gz GOKLUQOATYECQL-KSZLIROESA-N 2 0 331.504 2.408 20 30 EEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363133 804495654 /nfs/dbraw/zinc/49/56/54/804495654.db2.gz GBCCMVWOLUOUIE-GOSISDBHSA-N 2 0 337.508 2.082 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108822983 804565023 /nfs/dbraw/zinc/56/50/23/804565023.db2.gz DTOVACUSNORYDS-OTWHNJEPSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470649 805522034 /nfs/dbraw/zinc/52/20/34/805522034.db2.gz GXYUDLCXKASEFP-SQNIBIBYSA-N 2 0 328.460 2.206 20 30 EEEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001086609570 810042383 /nfs/dbraw/zinc/04/23/83/810042383.db2.gz NCNVTIOWKHEMEQ-YZGWKJHDSA-N 2 0 341.499 2.489 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129418593 810831714 /nfs/dbraw/zinc/83/17/14/810831714.db2.gz VHXLRRYSYNPVQY-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623662 810913448 /nfs/dbraw/zinc/91/34/48/810913448.db2.gz PPEFJSDTZPRQIZ-RBUKOAKNSA-N 2 0 327.472 2.243 20 30 EEEDRP Cc1c(C(=O)NCC[NH2+]Cc2ccccc2C#N)ccc2c[nH+]cn21 ZINC001130656071 811907218 /nfs/dbraw/zinc/90/72/18/811907218.db2.gz IDPWOSAFURYSDK-UHFFFAOYSA-N 2 0 333.395 2.034 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001437020921 1088811624 /nfs/dbraw/zinc/81/16/24/1088811624.db2.gz LFWFOXYPVBEYCO-KBPBESRZSA-N 2 0 346.313 2.063 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001437953102 1090550235 /nfs/dbraw/zinc/55/02/35/1090550235.db2.gz POXJNJLNOYPZKV-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376724 1092116956 /nfs/dbraw/zinc/11/69/56/1092116956.db2.gz BXBSAXUFCHNPKL-INIZCTEOSA-N 2 0 342.487 2.227 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]1C ZINC001448983537 1093987235 /nfs/dbraw/zinc/98/72/35/1093987235.db2.gz RSULWASLBBCYKZ-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001449384213 1094357315 /nfs/dbraw/zinc/35/73/15/1094357315.db2.gz KOBDDNMWMHSZOE-UHFFFAOYSA-N 2 0 346.500 2.041 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479565220 1098611827 /nfs/dbraw/zinc/61/18/27/1098611827.db2.gz RSEVQGLESDBJFB-CJNGLKHVSA-N 2 0 327.900 2.440 20 30 EEEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](CC)CC ZINC001480158038 1099730870 /nfs/dbraw/zinc/73/08/70/1099730870.db2.gz UBEONVHHYXMYFU-GUDVDZBRSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001496451428 1101043775 /nfs/dbraw/zinc/04/37/75/1101043775.db2.gz WZQJOLRRKZFJPU-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001507425624 1115262112 /nfs/dbraw/zinc/26/21/12/1115262112.db2.gz CLNKQJUVCUBLII-HZPDHXFCSA-N 2 0 327.900 2.489 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000491676740 533101497 /nfs/dbraw/zinc/10/14/97/533101497.db2.gz PDVFXUBWDDDVJN-IBGZPJMESA-N 2 0 348.535 2.095 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000491474447 533148672 /nfs/dbraw/zinc/14/86/72/533148672.db2.gz MUHMVBQPDRRUQD-NVXWUHKLSA-N 2 0 331.460 2.170 20 30 EEEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000491486927 533163200 /nfs/dbraw/zinc/16/32/00/533163200.db2.gz ZGPPMUDVYCWOHI-IBGZPJMESA-N 2 0 327.472 2.018 20 30 EEEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C[C@@H](C)O1 ZINC000288801865 464059171 /nfs/dbraw/zinc/05/91/71/464059171.db2.gz ZGUWLXQVADPFHD-VXGBXAGGSA-N 2 0 326.391 2.191 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264054104 464277481 /nfs/dbraw/zinc/27/74/81/464277481.db2.gz AAPURMWPPPVTAO-LJQANCHMSA-N 3 0 343.519 2.171 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(CC#N)c1 ZINC000264937519 464503732 /nfs/dbraw/zinc/50/37/32/464503732.db2.gz UXRKCGGQRRAQEM-UHFFFAOYSA-N 2 0 330.476 2.098 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000340962809 466470156 /nfs/dbraw/zinc/47/01/56/466470156.db2.gz SVIOCGXGGLNDLF-RCCFBDPRSA-N 2 0 336.524 2.467 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000417057948 466766712 /nfs/dbraw/zinc/76/67/12/466766712.db2.gz CTLGLYLPKDOITO-OKZBNKHCSA-N 2 0 336.524 2.372 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000417059873 466767451 /nfs/dbraw/zinc/76/74/51/466767451.db2.gz IVDBXQIXXNNNSH-SJLPKXTDSA-N 2 0 336.524 2.454 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376744324 466928657 /nfs/dbraw/zinc/92/86/57/466928657.db2.gz SAKNAFHGZYTDJL-AEFFLSMTSA-N 2 0 334.508 2.295 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000425648263 467118734 /nfs/dbraw/zinc/11/87/34/467118734.db2.gz GSDFQSHBBNLCHQ-IPMKNSEASA-N 2 0 348.535 2.421 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528370518 467681157 /nfs/dbraw/zinc/68/11/57/467681157.db2.gz DUOLYYSXIDXCQA-LJQANCHMSA-N 2 0 345.487 2.350 20 30 EEEDRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000550720518 468222602 /nfs/dbraw/zinc/22/26/02/468222602.db2.gz BBEKQRMCWFERCC-MRXNPFEDSA-N 2 0 331.460 2.197 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000490635304 468228543 /nfs/dbraw/zinc/22/85/43/468228543.db2.gz FTZYTLUQSRCCFQ-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000571875007 468852029 /nfs/dbraw/zinc/85/20/29/468852029.db2.gz HIWKFMYBHMXCEX-IPELMVKDSA-N 2 0 330.472 2.227 20 30 EEEDRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315543 468936324 /nfs/dbraw/zinc/93/63/24/468936324.db2.gz LEVNTQUOGCCKQO-LNLFQRSKSA-N 2 0 329.444 2.285 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660596265 471407859 /nfs/dbraw/zinc/40/78/59/471407859.db2.gz BMZAMZLXBXUJCQ-QGZVFWFLSA-N 2 0 336.524 2.447 20 30 EEEDRP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000131872779 526363204 /nfs/dbraw/zinc/36/32/04/526363204.db2.gz YSMHLPDOSKAENN-QGZVFWFLSA-N 2 0 347.507 2.217 20 30 EEEDRP C(=NNCC[NH+]1CCCCC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000751130872 576496190 /nfs/dbraw/zinc/49/61/90/576496190.db2.gz NNYNTRZCDZOEHR-UHFFFAOYSA-N 2 0 336.524 2.330 20 30 EEEDRP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182220 675942829 /nfs/dbraw/zinc/94/28/29/675942829.db2.gz LEZMNKORXDNUAD-IBGZPJMESA-N 2 0 331.504 2.056 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039133653 675633902 /nfs/dbraw/zinc/63/39/02/675633902.db2.gz JWFNATMLONYXAK-MOPGFXCFSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134510 675635034 /nfs/dbraw/zinc/63/50/34/675635034.db2.gz QIIRIRRZRRQOON-SFHVURJKSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(C)C)CC[C@@H]32)CC1 ZINC001021740186 676399344 /nfs/dbraw/zinc/39/93/44/676399344.db2.gz RCMBDWZJSBFDSF-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001022221695 676742806 /nfs/dbraw/zinc/74/28/06/676742806.db2.gz KNHGAWMEKAPMSV-JEWRLFTDSA-N 2 0 343.446 2.221 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001023273598 679222775 /nfs/dbraw/zinc/22/27/75/679222775.db2.gz OEZKKYBPPHUYKQ-PBHICJAKSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569198 679394937 /nfs/dbraw/zinc/39/49/37/679394937.db2.gz TVQNZIHIJHNCNW-HKUYNNGSSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001024477120 679949784 /nfs/dbraw/zinc/94/97/84/679949784.db2.gz JCNSGKVBPMHFPI-RTBURBONSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001026901523 685273130 /nfs/dbraw/zinc/27/31/30/685273130.db2.gz RGORFOGGPFRZDC-MOPGFXCFSA-N 2 0 342.487 2.083 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627238 683157339 /nfs/dbraw/zinc/15/73/39/683157339.db2.gz ICXSFENOILOZQT-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978643052 693767983 /nfs/dbraw/zinc/76/79/83/693767983.db2.gz QAKFUSBRQGVUCE-OSYLJGHBSA-N 2 0 331.460 2.215 20 30 EEEDRP CC[NH+](CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)C1 ZINC000262382797 685717909 /nfs/dbraw/zinc/71/79/09/685717909.db2.gz KUIWBTCMCMYQNY-TWMKSMIVSA-N 2 0 336.524 2.182 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)CC1 ZINC001029597321 686468746 /nfs/dbraw/zinc/46/87/46/686468746.db2.gz OTMJUDRDYOXTRF-KDURUIRLSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029758178 687023154 /nfs/dbraw/zinc/02/31/54/687023154.db2.gz UFKMVUNPIFNYCP-PMACEKPBSA-N 2 0 339.483 2.065 20 30 EEEDRP C[NH+]=C(NCC1(CCO)CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262748466 688315766 /nfs/dbraw/zinc/31/57/66/688315766.db2.gz AYZTVJROOWZQJH-KRWDZBQOSA-N 2 0 336.524 2.065 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C[C@H]2C)CC1 ZINC000989828382 692371554 /nfs/dbraw/zinc/37/15/54/692371554.db2.gz CDZAVLQPHUXYBU-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752524691 1181927403 /nfs/dbraw/zinc/92/74/03/1181927403.db2.gz HAARGXAYLKZHSS-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC000945181447 1193416113 /nfs/dbraw/zinc/41/61/13/1193416113.db2.gz NFXRLEOGSLTMIM-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105566236 1188186110 /nfs/dbraw/zinc/18/61/10/1188186110.db2.gz HHHYPYBWCJNNHJ-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCN1CC[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100994 1194383174 /nfs/dbraw/zinc/38/31/74/1194383174.db2.gz KLGUMXSOQJKBMD-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001034689735 1196566101 /nfs/dbraw/zinc/56/61/01/1196566101.db2.gz VGQIROYHONSIJZ-SHTZXODSSA-N 2 0 325.416 2.084 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C(C)(C)C)n1 ZINC000120463924 1198143376 /nfs/dbraw/zinc/14/33/76/1198143376.db2.gz OWMPAHIEOSRAPP-AWEZNQCLSA-N 2 0 337.537 2.372 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C#N)c2)C1 ZINC001132409532 1199675730 /nfs/dbraw/zinc/67/57/30/1199675730.db2.gz AOVXCHFJZYITJL-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001132886426 1200152838 /nfs/dbraw/zinc/15/28/38/1200152838.db2.gz LXAFLVHFMPZHBL-RDJZCZTQSA-N 2 0 347.890 2.128 20 30 EEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133342199 1200766446 /nfs/dbraw/zinc/76/64/46/1200766446.db2.gz NOUNDSNXIKPODL-MJGOQNOKSA-N 2 0 341.499 2.459 20 30 EEEDRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001006407374 1202506173 /nfs/dbraw/zinc/50/61/73/1202506173.db2.gz NQMYFUIMWALABG-UHFFFAOYSA-N 2 0 339.483 2.057 20 30 EEEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NCCC(C)C)CC1 ZINC000104166059 1204611427 /nfs/dbraw/zinc/61/14/27/1204611427.db2.gz GNMYSTKGFWVZEQ-UHFFFAOYSA-N 2 0 345.535 2.275 20 30 EEEDRP C#CCN1CC[C@]2(CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274267363 1204981243 /nfs/dbraw/zinc/98/12/43/1204981243.db2.gz FFCFMFULURTCKE-HXUWFJFHSA-N 2 0 336.439 2.401 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001276118181 1205782268 /nfs/dbraw/zinc/78/22/68/1205782268.db2.gz QTBCDQWRDOHYDS-UHFFFAOYSA-N 2 0 348.441 2.296 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C ZINC000947723363 1208687283 /nfs/dbraw/zinc/68/72/83/1208687283.db2.gz VKNLITPEBANVKK-JKSUJKDBSA-N 2 0 346.475 2.429 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961189415 1217078210 /nfs/dbraw/zinc/07/82/10/1217078210.db2.gz ZDKRYVYRNLDRKQ-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375846 1217163819 /nfs/dbraw/zinc/16/38/19/1217163819.db2.gz XOFYUMOCKROENR-WOJBJXKFSA-N 2 0 345.531 2.465 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC000963404032 1217600526 /nfs/dbraw/zinc/60/05/26/1217600526.db2.gz KUFJWGHHHYQYCR-PKOBYXMFSA-N 2 0 342.487 2.079 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037916137 1220304369 /nfs/dbraw/zinc/30/43/69/1220304369.db2.gz AOLYXUPOWPXYCH-GOEBONIOSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000968998462 1221728688 /nfs/dbraw/zinc/72/86/88/1221728688.db2.gz WYWMWRSXNKZNHB-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007492137 1222258092 /nfs/dbraw/zinc/25/80/92/1222258092.db2.gz LMXDOQLGZXVRBT-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016981534 1227011581 /nfs/dbraw/zinc/01/15/81/1227011581.db2.gz DHZWZOZSAOONEE-IBGZPJMESA-N 2 0 339.483 2.356 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001019190570 1228849532 /nfs/dbraw/zinc/84/95/32/1228849532.db2.gz KVJWWCKSAAFWMI-INIZCTEOSA-N 2 0 335.879 2.347 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020250846 1229583153 /nfs/dbraw/zinc/58/31/53/1229583153.db2.gz UPGGBNJNDQPOBM-FHWLQOOXSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCC2)CC1 ZINC001039042660 1230259171 /nfs/dbraw/zinc/25/91/71/1230259171.db2.gz VNVGHCQCYUXMQO-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167486 1230391084 /nfs/dbraw/zinc/39/10/84/1230391084.db2.gz VQONTILYJGKPIB-FQEVSTJZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039236940 1230470273 /nfs/dbraw/zinc/47/02/73/1230470273.db2.gz DSYCAAZUEUPNIR-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001039251251 1230487786 /nfs/dbraw/zinc/48/77/86/1230487786.db2.gz QYBFMEYBQJGAKO-RBUKOAKNSA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201257 1231098081 /nfs/dbraw/zinc/09/80/81/1231098081.db2.gz LSDYZCPEOFQCRO-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721921 1231348499 /nfs/dbraw/zinc/34/84/99/1231348499.db2.gz FMKDCPACFLWMAR-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040798468 1231371879 /nfs/dbraw/zinc/37/18/79/1231371879.db2.gz QSHLPQXLGHKPHX-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040913180 1231403020 /nfs/dbraw/zinc/40/30/20/1231403020.db2.gz ZFXPGSRMISCESS-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725198 1231663334 /nfs/dbraw/zinc/66/33/34/1231663334.db2.gz LKCIEZNBXAJBGA-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044858037 1233321434 /nfs/dbraw/zinc/32/14/34/1233321434.db2.gz PJIIGPAZMUYBIJ-LSDHHAIUSA-N 2 0 346.500 2.185 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001045205680 1233579400 /nfs/dbraw/zinc/57/94/00/1233579400.db2.gz RQRAIGQYCIEWEB-ROUUACIJSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001045499631 1233780933 /nfs/dbraw/zinc/78/09/33/1233780933.db2.gz GGSRQMGKYXAMPP-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001045685349 1233906735 /nfs/dbraw/zinc/90/67/35/1233906735.db2.gz HNKJHRLJKRYROA-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045985635 1234280328 /nfs/dbraw/zinc/28/03/28/1234280328.db2.gz YRWICDGWBPETEM-SJLPKXTDSA-N 2 0 339.911 2.395 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047266202 1235779391 /nfs/dbraw/zinc/77/93/91/1235779391.db2.gz SPGBYUXSPCTGQG-HXUWFJFHSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001048557904 1237961136 /nfs/dbraw/zinc/96/11/36/1237961136.db2.gz VDTZLYXNILGCOW-RDGPPVDQSA-N 2 0 349.519 2.031 20 30 EEEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583659 1238024621 /nfs/dbraw/zinc/02/46/21/1238024621.db2.gz QDLWFSPQBPASBJ-IEWDOMPSSA-N 2 0 331.504 2.099 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048914088 1239240036 /nfs/dbraw/zinc/24/00/36/1239240036.db2.gz NYJPZTWTMRBEIJ-OTWHNJEPSA-N 2 0 333.520 2.463 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185387 1240038888 /nfs/dbraw/zinc/03/88/88/1240038888.db2.gz OCCYASNAGTWWCA-OALUTQOASA-N 2 0 343.515 2.387 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001000194155 1240049523 /nfs/dbraw/zinc/04/95/23/1240049523.db2.gz UVZZZYODNCVDOO-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568394 1241452481 /nfs/dbraw/zinc/45/24/81/1241452481.db2.gz VKQBMDFVKNLWRQ-GUDVDZBRSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049615703 1241651640 /nfs/dbraw/zinc/65/16/40/1241651640.db2.gz NKWDCBLWMQYFSC-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC=C(C)C)C[C@H]32)CC1 ZINC001050208188 1243123372 /nfs/dbraw/zinc/12/33/72/1243123372.db2.gz FXMZYOQQBXUUCF-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517878 1243770086 /nfs/dbraw/zinc/77/00/86/1243770086.db2.gz IXFWTAWDGWYJAQ-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050518875 1243772414 /nfs/dbraw/zinc/77/24/14/1243772414.db2.gz KKPQKJMZBXJKCF-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2cccc3c2CC[N@@H+](CC)C3)CC1 ZINC001051306518 1245512322 /nfs/dbraw/zinc/51/23/22/1245512322.db2.gz BORQYDSCZXNCNX-UHFFFAOYSA-N 2 0 339.483 2.026 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053052248 1245777567 /nfs/dbraw/zinc/77/75/67/1245777567.db2.gz STEBUPATQVTGBL-RTBURBONSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053086081 1245860684 /nfs/dbraw/zinc/86/06/84/1245860684.db2.gz AYFMXPBDPBWSRF-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384999 1247167822 /nfs/dbraw/zinc/16/78/22/1247167822.db2.gz FODQLUZYVZDHHK-HZPDHXFCSA-N 2 0 325.884 2.051 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054101146 1247406292 /nfs/dbraw/zinc/40/62/92/1247406292.db2.gz RHXHJMYXMAELOB-RDJZCZTQSA-N 2 0 325.884 2.148 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589803 1247619999 /nfs/dbraw/zinc/61/99/99/1247619999.db2.gz OZCSKSTXQMOSSD-IBGZPJMESA-N 2 0 341.499 2.398 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184301 1247644561 /nfs/dbraw/zinc/64/45/61/1247644561.db2.gz CIPASMCBPGWOJQ-CMKODMSKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278639 1247989796 /nfs/dbraw/zinc/98/97/96/1247989796.db2.gz IWQRDFBKLRIIGE-WMZOPIPTSA-N 2 0 339.483 2.372 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071677001 1254497662 /nfs/dbraw/zinc/49/76/62/1254497662.db2.gz QOCFDKVTZVJGFM-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828833 1254690819 /nfs/dbraw/zinc/69/08/19/1254690819.db2.gz VLTTUZNGEBIISF-QFBILLFUSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCC=C)[C@H](C)C2)CC1 ZINC001185727651 1278766773 /nfs/dbraw/zinc/76/67/73/1278766773.db2.gz BABPIPRHCWYMTM-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185742060 1278768994 /nfs/dbraw/zinc/76/89/94/1278768994.db2.gz RBQGNHSPEJYEAB-XLIONFOSSA-N 2 0 341.499 2.459 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001187283870 1279475990 /nfs/dbraw/zinc/47/59/90/1279475990.db2.gz CFNXMFPCYVCRMA-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001194284383 1282978426 /nfs/dbraw/zinc/97/84/26/1282978426.db2.gz HBSJLRSIFGESDD-QGZVFWFLSA-N 2 0 346.450 2.070 20 30 EEEDRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001152393458 1284958031 /nfs/dbraw/zinc/95/80/31/1284958031.db2.gz OUTCXUIBMULGIB-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198618252 1285274018 /nfs/dbraw/zinc/27/40/18/1285274018.db2.gz XKMDZCDGHSSWOP-SJORKVTESA-N 2 0 331.460 2.112 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902601 1285402274 /nfs/dbraw/zinc/40/22/74/1285402274.db2.gz MPFBELLXASNIBR-IRXDYDNUSA-N 2 0 333.476 2.358 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1OC ZINC001198925738 1285422943 /nfs/dbraw/zinc/42/29/43/1285422943.db2.gz XACWYVQRAXIJNY-SFHVURJKSA-N 2 0 345.487 2.360 20 30 EEEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000402260590 1296930839 /nfs/dbraw/zinc/93/08/39/1296930839.db2.gz QFPNWRSCOIVMIF-LJQANCHMSA-N 2 0 339.439 2.149 20 30 EEEDRP CC1(C)C[N@H+](Cc2ccccc2)C[C@@](C)(CO[C@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC001217909858 1297529884 /nfs/dbraw/zinc/52/98/84/1297529884.db2.gz IRBXIEDEEHUZDF-BJLQDIEVSA-N 2 0 343.471 2.184 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001218645606 1297747605 /nfs/dbraw/zinc/74/76/05/1297747605.db2.gz KEZIOSLZIWOWMZ-OKZBNKHCSA-N 2 0 339.524 2.209 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCC(C)C)C[C@H]32)CC1 ZINC001222044049 1299299975 /nfs/dbraw/zinc/29/99/75/1299299975.db2.gz MSWIVIYKMAKHMH-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCN(CCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1)C(=O)OCC ZINC001222595596 1299714866 /nfs/dbraw/zinc/71/48/66/1299714866.db2.gz DRHVSHBMKNIGRZ-SFHVURJKSA-N 2 0 343.471 2.320 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790020 1299863618 /nfs/dbraw/zinc/86/36/18/1299863618.db2.gz RWYIFHNBRNHAOH-IKGGRYGDSA-N 2 0 325.472 2.165 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185725 1300523113 /nfs/dbraw/zinc/52/31/13/1300523113.db2.gz QIQFEDHRZFFXCF-KBRIMQKVSA-N 2 0 339.911 2.297 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001225577738 1301070822 /nfs/dbraw/zinc/07/08/22/1301070822.db2.gz HPKDRGVXVVHXKB-UHFFFAOYSA-N 2 0 341.499 2.207 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001230284676 1303141742 /nfs/dbraw/zinc/14/17/42/1303141742.db2.gz PZJDRTVHLSUPDA-WOJBJXKFSA-N 2 0 341.499 2.395 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001103773512 1303316582 /nfs/dbraw/zinc/31/65/82/1303316582.db2.gz AVDUDCJRXBCRNB-IAGOWNOFSA-N 2 0 345.487 2.442 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766719 1303441602 /nfs/dbraw/zinc/44/16/02/1303441602.db2.gz IBLFMOOSLZXFMB-IEBWSBKVSA-N 2 0 344.503 2.306 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C#N)ccc2[O-])CC1 ZINC001232681242 1304214680 /nfs/dbraw/zinc/21/46/80/1304214680.db2.gz OAXMKIOUMNWWPG-UHFFFAOYSA-N 2 0 340.471 2.055 20 30 EEEDRP Cc1ccc(C#N)c(NC(=O)[C@]23C[C@H]2CC[N@@H+]3CC2CC[NH2+]CC2)c1 ZINC001277823972 1304674768 /nfs/dbraw/zinc/67/47/68/1304674768.db2.gz MGZAWCHZGNLIJK-XLIONFOSSA-N 2 0 338.455 2.269 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](C)CC(C)C)C[C@H]32)CC1 ZINC001115290003 1304907278 /nfs/dbraw/zinc/90/72/78/1304907278.db2.gz LTEHYCPOXKYZNK-LMCOJAPRSA-N 2 0 345.531 2.060 20 30 EEEDRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C#N ZINC000799630464 1305341599 /nfs/dbraw/zinc/34/15/99/1305341599.db2.gz HCGMBQGHYDKNMX-UHFFFAOYSA-N 2 0 330.476 2.212 20 30 EEEDRP C[C@H](CO)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277998661 1305639853 /nfs/dbraw/zinc/63/98/53/1305639853.db2.gz PHVXHGJGINUTBG-ZYSHUDEJSA-N 2 0 330.476 2.050 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768552 1305753385 /nfs/dbraw/zinc/75/33/85/1305753385.db2.gz BTRJUPGLAJMGBG-QZTJIDSGSA-N 2 0 331.504 2.435 20 30 EEEDRP CC(C)C[NH+]1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001278121393 1306003829 /nfs/dbraw/zinc/00/38/29/1306003829.db2.gz ZHULWWIFIRSQFT-UHFFFAOYSA-N 2 0 346.519 2.191 20 30 EEEDRP N#Cc1cc(-c2ncc(F)c(C3CC[NH2+]CC3)n2)cc(C2C[NH2+]C2)c1 ZINC001240338197 1309309055 /nfs/dbraw/zinc/30/90/55/1309309055.db2.gz PBMFPFNYEQJRTH-UHFFFAOYSA-N 2 0 337.402 2.308 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](c2cccnc2)N(C)C)CCCCC1 ZINC001120213563 1309387473 /nfs/dbraw/zinc/38/74/73/1309387473.db2.gz JZYFZPGTIGOYJO-QGZVFWFLSA-N 2 0 330.476 2.279 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120470688 1309566484 /nfs/dbraw/zinc/56/64/84/1309566484.db2.gz SVNJDJJJIURCQS-OALUTQOASA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001121184733 1309945864 /nfs/dbraw/zinc/94/58/64/1309945864.db2.gz ZFLOYZFQPSQNOS-UHFFFAOYSA-N 2 0 345.512 2.464 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122074534 1310213523 /nfs/dbraw/zinc/21/35/23/1310213523.db2.gz APUYFZHEUCAMNA-QZTJIDSGSA-N 2 0 339.524 2.434 20 30 EEEDRP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC001246207782 1310260790 /nfs/dbraw/zinc/26/07/90/1310260790.db2.gz YRWVCDUGSBNOBD-SJLPKXTDSA-N 2 0 326.444 2.022 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140624284 1314916887 /nfs/dbraw/zinc/91/68/87/1314916887.db2.gz ORAOTBCZNQHIFJ-UHFFFAOYSA-N 2 0 329.488 2.492 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000836441679 1314994758 /nfs/dbraw/zinc/99/47/58/1314994758.db2.gz COQNUYDYNZUWBO-SFHVURJKSA-N 2 0 334.508 2.038 20 30 EEEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149847626 1316064032 /nfs/dbraw/zinc/06/40/32/1316064032.db2.gz GCFBHXUZUDCSKN-QZTJIDSGSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001151327267 1316505225 /nfs/dbraw/zinc/50/52/25/1316505225.db2.gz VFOAZZKFKMEOAP-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314880 1316809913 /nfs/dbraw/zinc/80/99/13/1316809913.db2.gz REAKQYPOZHFFJY-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1)[NH+](C)C ZINC001155283091 1317537166 /nfs/dbraw/zinc/53/71/66/1317537166.db2.gz GQISVKAZPOEWIS-QAPCUYQASA-N 2 0 330.476 2.225 20 30 EEEDRP C=CCC[C@H](O)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252603955 1317646003 /nfs/dbraw/zinc/64/60/03/1317646003.db2.gz JPYYMAVOVGPJCA-IBGZPJMESA-N 2 0 325.541 2.443 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373819 1317983511 /nfs/dbraw/zinc/98/35/11/1317983511.db2.gz ATGVDTICFPAYGN-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+]1CCC2(CCN(c3ncc4c(c3C#N)CCC[NH2+]C4)CC2)CC1 ZINC001156563695 1318076398 /nfs/dbraw/zinc/07/63/98/1318076398.db2.gz GMNQTCBNDFEEPF-UHFFFAOYSA-N 2 0 339.487 2.301 20 30 EEEDRP N#Cc1cc(Nc2ccccc2N2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001159812646 1319996894 /nfs/dbraw/zinc/99/68/94/1319996894.db2.gz CHWBXDAADJJALY-UHFFFAOYSA-N 2 0 333.439 2.398 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621817 1320561351 /nfs/dbraw/zinc/56/13/51/1320561351.db2.gz ABJSCSVNULRTTM-UHFFFAOYSA-N 2 0 331.504 2.269 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)s1 ZINC001163224477 1321071542 /nfs/dbraw/zinc/07/15/42/1321071542.db2.gz VSOFPJQOTQIYDR-QGZVFWFLSA-N 2 0 346.500 2.090 20 30 EEEDRP C=C(Br)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165728245 1321574017 /nfs/dbraw/zinc/57/40/17/1321574017.db2.gz OALAISYDIJKUFC-CYBMUJFWSA-N 2 0 346.313 2.111 20 30 EEEDRP C=CCOCC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993366 1321632144 /nfs/dbraw/zinc/63/21/44/1321632144.db2.gz WKOKMRRGKDLIIW-UHFFFAOYSA-N 2 0 342.443 2.027 20 30 EEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203490554 1321894906 /nfs/dbraw/zinc/89/49/06/1321894906.db2.gz CIDMVFFTMFQSPN-MOPGFXCFSA-N 2 0 339.483 2.402 20 30 EEEDRP O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203539890 1321908180 /nfs/dbraw/zinc/90/81/80/1321908180.db2.gz RMQAQSNYUFXIGL-ROUUACIJSA-N 2 0 348.450 2.021 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203771427 1321958010 /nfs/dbraw/zinc/95/80/10/1321958010.db2.gz NOBSYLVCVUDUAP-ZWKOTPCHSA-N 2 0 349.519 2.082 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205630148 1323221670 /nfs/dbraw/zinc/22/16/70/1323221670.db2.gz PXCHBFOHZVGDBT-FUHWJXTLSA-N 2 0 345.462 2.073 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001265688647 1323322172 /nfs/dbraw/zinc/32/21/72/1323322172.db2.gz YXNMQCHOXUMLLG-UXHICEINSA-N 2 0 341.499 2.349 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206588029 1323539257 /nfs/dbraw/zinc/53/92/57/1323539257.db2.gz WDSICNIUPJWVEO-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209221287 1324861316 /nfs/dbraw/zinc/86/13/16/1324861316.db2.gz AKZUCEFCSKTKCH-MJGOQNOKSA-N 2 0 331.504 2.387 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001209322907 1324901770 /nfs/dbraw/zinc/90/17/70/1324901770.db2.gz BIXZXHCVLLAJRS-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP COC(C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2)OC ZINC001276642535 1324931320 /nfs/dbraw/zinc/93/13/20/1324931320.db2.gz IPUFOWOGKGCVJN-MOPGFXCFSA-N 2 0 346.475 2.040 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750894 1325414409 /nfs/dbraw/zinc/41/44/09/1325414409.db2.gz NVYNCBWUTHUATF-AWEZNQCLSA-N 2 0 346.313 2.208 20 30 EEEDRP CC(C)(C)[N@@H+]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001335440487 1336375492 /nfs/dbraw/zinc/37/54/92/1336375492.db2.gz LRXUDQOLJOQPQX-MRXNPFEDSA-N 2 0 349.500 2.042 20 30 EEEDRP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702067 1370559943 /nfs/dbraw/zinc/55/99/43/1370559943.db2.gz SQDDKSLRTCMVNF-AEFFLSMTSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000838586916 1372853596 /nfs/dbraw/zinc/85/35/96/1372853596.db2.gz JEFJFCPINWBBNU-MJGOQNOKSA-N 2 0 344.503 2.241 20 30 EEEDRP C=CCc1ccc(OC[C@@H](O)C[NH2+]CC2=CC[N@H+](C)CC2)c(OC)c1 ZINC001356595021 1373202532 /nfs/dbraw/zinc/20/25/32/1373202532.db2.gz HQDMEYAGGOUDJD-SFHVURJKSA-N 2 0 346.471 2.015 20 30 EEEDRP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001377315114 1379126988 /nfs/dbraw/zinc/12/69/88/1379126988.db2.gz KNNZXAHCPJWMSI-SFHVURJKSA-N 2 0 348.466 2.222 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001378454660 1379996491 /nfs/dbraw/zinc/99/64/91/1379996491.db2.gz WSXXSIBDRAEJKI-IHRRRGAJSA-N 2 0 346.313 2.252 20 30 EEEDRP CC[C@H](C(=O)NCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1)[NH+](C)C ZINC001391201678 1389127282 /nfs/dbraw/zinc/12/72/82/1389127282.db2.gz SKLYOZNDZGXHPO-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001398186309 1391784790 /nfs/dbraw/zinc/78/47/90/1391784790.db2.gz CSFMRCWHZFDENW-UHFFFAOYSA-N 2 0 348.516 2.384 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001402051632 1397736479 /nfs/dbraw/zinc/73/64/79/1397736479.db2.gz ITBIIEUQJMTMKD-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754865597 1406970858 /nfs/dbraw/zinc/97/08/58/1406970858.db2.gz OBFCIPRRIDWRGI-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423958841 1400826417 /nfs/dbraw/zinc/82/64/17/1400826417.db2.gz XDLIQRHXILLGEQ-KBPBESRZSA-N 2 0 346.313 2.063 20 30 EEEDRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)cc1 ZINC001425585322 1401641783 /nfs/dbraw/zinc/64/17/83/1401641783.db2.gz JEQQWMVLMJJSPU-INIZCTEOSA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979077 1401828068 /nfs/dbraw/zinc/82/80/68/1401828068.db2.gz XVLOJPGEYFMGGM-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001426138060 1401903075 /nfs/dbraw/zinc/90/30/75/1401903075.db2.gz QNYFXAJWVAHKIH-CQSZACIVSA-N 2 0 327.900 2.488 20 30 EEEDRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC#Cc3ccccc3)C2)CCC1 ZINC001755471631 1407507746 /nfs/dbraw/zinc/50/77/46/1407507746.db2.gz BSQOAEPACXZMFY-WGSAOQKQSA-N 2 0 339.483 2.007 20 30 EEEDRP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001755548195 1407624157 /nfs/dbraw/zinc/62/41/57/1407624157.db2.gz WGMCQMUPVJDXNZ-RBUKOAKNSA-N 2 0 327.472 2.189 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001203415342 768942167 /nfs/dbraw/zinc/94/21/67/768942167.db2.gz WFJPOKQWSBOTDP-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427900 769072318 /nfs/dbraw/zinc/07/23/18/769072318.db2.gz SVROLUKIOANZNO-MSOLQXFVSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040875069 773669056 /nfs/dbraw/zinc/66/90/56/773669056.db2.gz QQBLOPMLWSDAFB-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083024 773838951 /nfs/dbraw/zinc/83/89/51/773838951.db2.gz GWOJLFWAXUZKIM-BBWFWOEESA-N 2 0 336.439 2.106 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027944005 774780039 /nfs/dbraw/zinc/78/00/39/774780039.db2.gz RSBRYSNOMYSREN-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC000980816693 775707130 /nfs/dbraw/zinc/70/71/30/775707130.db2.gz UPJBGRWUPCXYGL-IEBWSBKVSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981809534 778253817 /nfs/dbraw/zinc/25/38/17/778253817.db2.gz LSQLLJXJJUEUPO-IBGZPJMESA-N 2 0 331.504 2.341 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422847 790615427 /nfs/dbraw/zinc/61/54/27/790615427.db2.gz PEPCGLLMRBCWGH-JKSUJKDBSA-N 2 0 327.900 2.394 20 30 EEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151774 778521242 /nfs/dbraw/zinc/52/12/42/778521242.db2.gz IAMGYFPWFVCRNL-QRVBRYPASA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC=C(C)C)C3)CC1 ZINC000982162327 779181197 /nfs/dbraw/zinc/18/11/97/779181197.db2.gz OLJQPIGGIYWPKG-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982280135 779520170 /nfs/dbraw/zinc/52/01/70/779520170.db2.gz WGPYIIUWEOZQKA-RLLQIKCJSA-N 2 0 331.504 2.075 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088328965 783523003 /nfs/dbraw/zinc/52/30/03/783523003.db2.gz KMBIJRPKKXLAGS-MOPGFXCFSA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+](C)C ZINC001135315524 783599555 /nfs/dbraw/zinc/59/95/55/783599555.db2.gz PIGLXTOMCWDGLL-UONOGXRCSA-N 2 0 336.505 2.334 20 30 EEEDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)cc1 ZINC001135340567 783605879 /nfs/dbraw/zinc/60/58/79/783605879.db2.gz CXNGQFRHSGWEBM-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135370750 783659458 /nfs/dbraw/zinc/65/94/58/783659458.db2.gz AIOCBIQZXILYEQ-CVEARBPZSA-N 2 0 333.451 2.002 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001135391161 783688074 /nfs/dbraw/zinc/68/80/74/783688074.db2.gz QRKHKYYJGMHIIE-MSOLQXFVSA-N 2 0 341.499 2.253 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332285 783929044 /nfs/dbraw/zinc/92/90/44/783929044.db2.gz BXVWWJDJCCYFHU-NVXWUHKLSA-N 2 0 331.460 2.195 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3nccn31)CC2 ZINC001035194213 784083108 /nfs/dbraw/zinc/08/31/08/784083108.db2.gz WENXGRQALSPALJ-KRWDZBQOSA-N 2 0 340.471 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001035256879 784205226 /nfs/dbraw/zinc/20/52/26/784205226.db2.gz NPQUDWYLXYWFGE-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135690094 784250213 /nfs/dbraw/zinc/25/02/13/784250213.db2.gz FDNDGWLTKKBVQZ-MSOLQXFVSA-N 2 0 339.524 2.021 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135861958 784652835 /nfs/dbraw/zinc/65/28/35/784652835.db2.gz ZQGNBZRHQDPEAR-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977315 784926936 /nfs/dbraw/zinc/92/69/36/784926936.db2.gz SBDQVQVHTCLHOO-GJZGRUSLSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908407696 785389662 /nfs/dbraw/zinc/38/96/62/785389662.db2.gz LRWZKKXUBZOENV-UHFFFAOYSA-N 2 0 328.416 2.480 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995824000 785724850 /nfs/dbraw/zinc/72/48/50/785724850.db2.gz PJKFKMSUDURCHO-SJLPKXTDSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997799389 791140488 /nfs/dbraw/zinc/14/04/88/791140488.db2.gz KGQKXDBMEJFVPG-INIZCTEOSA-N 2 0 327.472 2.212 20 30 EEEDRP C#C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000820606170 786004804 /nfs/dbraw/zinc/00/48/04/786004804.db2.gz UPBMHLMBMXNDQH-LJQANCHMSA-N 2 0 344.503 2.276 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190682 786106530 /nfs/dbraw/zinc/10/65/30/786106530.db2.gz MXXDHMOWQDCNTF-QZTJIDSGSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825376 787870596 /nfs/dbraw/zinc/87/05/96/787870596.db2.gz CELYNEGXXLVGIF-QUCCMNQESA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646816 787997225 /nfs/dbraw/zinc/99/72/25/787997225.db2.gz XLZHYVZFEAOTCJ-SVFBPWRDSA-N 2 0 345.531 2.491 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001203456361 788167176 /nfs/dbraw/zinc/16/71/76/788167176.db2.gz WFYLGPKEPAFJAX-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908408 789775734 /nfs/dbraw/zinc/77/57/34/789775734.db2.gz BDXPKYATVVEMNV-HAGHYFMRSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF)CC1 ZINC001146613921 791377144 /nfs/dbraw/zinc/37/71/44/791377144.db2.gz VLWKKPDSULBBRC-DLBZAZTESA-N 2 0 339.499 2.344 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938150 793023969 /nfs/dbraw/zinc/02/39/69/793023969.db2.gz JKZAUVDNQNWIDJ-MSOLQXFVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932436 793067256 /nfs/dbraw/zinc/06/72/56/793067256.db2.gz KWRDAQILJIWWIL-INIZCTEOSA-N 2 0 336.439 2.284 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055452 793428377 /nfs/dbraw/zinc/42/83/77/793428377.db2.gz CGMRRKHYUNBGRU-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907438 794426823 /nfs/dbraw/zinc/42/68/23/794426823.db2.gz NENHJZAOABVMJU-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968435 794505713 /nfs/dbraw/zinc/50/57/13/794505713.db2.gz TUVOWXCYGLKDRE-YLJYHZDGSA-N 2 0 341.499 2.112 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717582 794611987 /nfs/dbraw/zinc/61/19/87/794611987.db2.gz YBTKKWJKGUKPSB-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093363293 795090219 /nfs/dbraw/zinc/09/02/19/795090219.db2.gz YMNDYCLLPRKKTM-ZWKOTPCHSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001093366477 795094557 /nfs/dbraw/zinc/09/45/57/795094557.db2.gz FZYLWFXOKSNJFE-IBGZPJMESA-N 2 0 340.471 2.069 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001093371939 795103211 /nfs/dbraw/zinc/10/32/11/795103211.db2.gz XAJSFNKOYCLHNE-HXUWFJFHSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001093407839 795145645 /nfs/dbraw/zinc/14/56/45/795145645.db2.gz MJBKEGMSHYZZOR-ZJRDLVKKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106349318 795431359 /nfs/dbraw/zinc/43/13/59/795431359.db2.gz IVBXBLSGWVDRAN-IAGOWNOFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171872300 796760773 /nfs/dbraw/zinc/76/07/73/796760773.db2.gz BPYZBTDRXLPFJJ-BHASAWDCSA-N 2 0 349.519 2.080 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820736 797027476 /nfs/dbraw/zinc/02/74/76/797027476.db2.gz ZHJQTTQWGROALI-RTBURBONSA-N 2 0 343.515 2.149 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565226 798499182 /nfs/dbraw/zinc/49/91/82/798499182.db2.gz URFKTOLRYVLSQB-HUUCEWRRSA-N 2 0 348.516 2.336 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001176575014 798502744 /nfs/dbraw/zinc/50/27/44/798502744.db2.gz XWWVFYVXLICFQB-KRWDZBQOSA-N 2 0 342.487 2.419 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F)CC1 ZINC001176736870 798542170 /nfs/dbraw/zinc/54/21/70/798542170.db2.gz FUFPFZBYTBVLQX-IRXDYDNUSA-N 2 0 339.499 2.344 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001176926419 798630856 /nfs/dbraw/zinc/63/08/56/798630856.db2.gz LNGDECLTLZXIAS-UHFFFAOYSA-N 2 0 341.499 2.245 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001178045951 799231614 /nfs/dbraw/zinc/23/16/14/799231614.db2.gz ZXXDINMKWMJCRP-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179538862 799982570 /nfs/dbraw/zinc/98/25/70/799982570.db2.gz JJNPAGNXYHZUAB-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001183759635 801724562 /nfs/dbraw/zinc/72/45/62/801724562.db2.gz NWTWMADPLUAAII-MRXNPFEDSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004432709 802041349 /nfs/dbraw/zinc/04/13/49/802041349.db2.gz DRTUZXKUQCKZKP-RBUKOAKNSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004479477 802183567 /nfs/dbraw/zinc/18/35/67/802183567.db2.gz FXKPHKVGEKUAPD-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498103 802229983 /nfs/dbraw/zinc/22/99/83/802229983.db2.gz MJYIRMWSISMGMT-WOJBJXKFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185050383 802302741 /nfs/dbraw/zinc/30/27/41/802302741.db2.gz DWMAGHKIIUMBPF-HOTGVXAUSA-N 2 0 331.460 2.052 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004549160 802351207 /nfs/dbraw/zinc/35/12/07/802351207.db2.gz UVOQQEYRXKNFDG-PKOBYXMFSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086386646 802875223 /nfs/dbraw/zinc/87/52/23/802875223.db2.gz BDDKMSBPXZGNMX-JYJNAYRXSA-N 2 0 327.900 2.201 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001108434679 803566651 /nfs/dbraw/zinc/56/66/51/803566651.db2.gz VBDJNIOCQXCYJE-LJQANCHMSA-N 2 0 337.508 2.036 20 30 EEEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797689 804052889 /nfs/dbraw/zinc/05/28/89/804052889.db2.gz IYRWSKICJGCWSR-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(C)C)CC1 ZINC001098461170 807129787 /nfs/dbraw/zinc/12/97/87/807129787.db2.gz RPUGGEFLHDDAEK-QRVBRYPASA-N 2 0 329.488 2.019 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001086558495 807213282 /nfs/dbraw/zinc/21/32/82/807213282.db2.gz ULSUYQXDKGKXIF-RUCARUNLSA-N 2 0 345.531 2.252 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001130401706 811580159 /nfs/dbraw/zinc/58/01/59/811580159.db2.gz LCKDEKBYRGRGKU-OAHLLOKOSA-N 2 0 347.507 2.122 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086659213 812430304 /nfs/dbraw/zinc/43/03/04/812430304.db2.gz NXBDWRJBTBBJRN-OTWHNJEPSA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670727 1095643692 /nfs/dbraw/zinc/64/36/92/1095643692.db2.gz FDKMGVMXHWOIDV-GJZGRUSLSA-N 2 0 327.900 2.440 20 30 EEEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001444305682 1098861479 /nfs/dbraw/zinc/86/14/79/1098861479.db2.gz GDRYKBJPLMAXDE-APWZRJJASA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1cccc(C#N)c1 ZINC001444334203 1098900641 /nfs/dbraw/zinc/90/06/41/1098900641.db2.gz DUFNHULASWEBIX-MRXNPFEDSA-N 2 0 340.471 2.029 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001496451427 1101044043 /nfs/dbraw/zinc/04/40/43/1101044043.db2.gz WZQJOLRRKZFJPU-GOEBONIOSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001480708780 1106918979 /nfs/dbraw/zinc/91/89/79/1106918979.db2.gz QQIPLFRJDOCHIA-UONOGXRCSA-N 2 0 346.313 2.254 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501081019 1113192050 /nfs/dbraw/zinc/19/20/50/1113192050.db2.gz XEUSWRGJABMALU-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000066994553 215102670 /nfs/dbraw/zinc/10/26/70/215102670.db2.gz WELVJKJDQFLHRT-UHFFFAOYSA-N 2 0 336.439 2.139 20 30 EEEDRP CC(C)[C@H](CNC(=O)N1CCn2ccnc2C1)[NH+]1CCC(C)CC1 ZINC000329817848 539784633 /nfs/dbraw/zinc/78/46/33/539784633.db2.gz FYRZQTVPFUXDQB-INIZCTEOSA-N 2 0 333.480 2.369 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000491768938 533107228 /nfs/dbraw/zinc/10/72/28/533107228.db2.gz KGJIGRLJZTYUDS-UHFFFAOYSA-N 2 0 327.472 2.357 20 30 EEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157389685 463127121 /nfs/dbraw/zinc/12/71/21/463127121.db2.gz SGHYONISIZNXOQ-INIZCTEOSA-N 2 0 332.492 2.468 20 30 EEEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150752289 463420283 /nfs/dbraw/zinc/42/02/83/463420283.db2.gz KLTQAKLWDNYDCP-KRWDZBQOSA-N 2 0 326.444 2.305 20 30 EEEDRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000126721358 463659831 /nfs/dbraw/zinc/65/98/31/463659831.db2.gz DGZZSTWOICTYJC-UHFFFAOYSA-N 2 0 340.515 2.474 20 30 EEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH+]C)N(C)Cc2cc(Cl)cn2C)C1 ZINC000261967827 463913437 /nfs/dbraw/zinc/91/34/37/463913437.db2.gz LWBYGDVZHWRYDM-ZDUSSCGKSA-N 2 0 325.888 2.028 20 30 EEEDRP CC(C)(C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264111741 464284127 /nfs/dbraw/zinc/28/41/27/464284127.db2.gz RALOPWMVRAEWBV-UHFFFAOYSA-N 2 0 331.508 2.292 20 30 EEEDRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918779 468433774 /nfs/dbraw/zinc/43/37/74/468433774.db2.gz IVTUCDHGHMANNP-OALUTQOASA-N 2 0 340.471 2.027 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)C(C)C ZINC000344278302 465601212 /nfs/dbraw/zinc/60/12/12/465601212.db2.gz FVAFZHUYASELPD-OKZBNKHCSA-N 2 0 336.524 2.467 20 30 EEEDRP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000330608094 465730989 /nfs/dbraw/zinc/73/09/89/465730989.db2.gz PYGLHHPFWKQTCI-UHFFFAOYSA-N 2 0 346.475 2.239 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000422163374 466668702 /nfs/dbraw/zinc/66/87/02/466668702.db2.gz FPWGHRGWWHZNCZ-ZWKOTPCHSA-N 2 0 336.524 2.421 20 30 EEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000517044003 468068276 /nfs/dbraw/zinc/06/82/76/468068276.db2.gz GNBSZMLICGBLJI-QGZVFWFLSA-N 2 0 331.460 2.150 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488846369 468108617 /nfs/dbraw/zinc/10/86/17/468108617.db2.gz STKLYJYRDFTCKD-YQVWRLOYSA-N 2 0 348.535 2.399 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669465271 471507600 /nfs/dbraw/zinc/50/76/00/471507600.db2.gz OSGHAXFEBWSMLP-IRXDYDNUSA-N 2 0 334.508 2.058 20 30 EEEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160020645 526356479 /nfs/dbraw/zinc/35/64/79/526356479.db2.gz IBGBEIJZNLOIGA-OKZBNKHCSA-N 2 0 346.523 2.073 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000106341039 526584802 /nfs/dbraw/zinc/58/48/02/526584802.db2.gz DDQCEQQAXHOTAT-GOSISDBHSA-N 2 0 334.508 2.297 20 30 EEEDRP C#CCOc1ccccc1C[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000105442368 527127286 /nfs/dbraw/zinc/12/72/86/527127286.db2.gz VIWIEJQBZYGAEI-SFHVURJKSA-N 2 0 329.488 2.062 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000970454611 675906325 /nfs/dbraw/zinc/90/63/25/675906325.db2.gz HRZYOOUKJMNFBX-AEFFLSMTSA-N 2 0 335.879 2.406 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)CCC1 ZINC000971673216 676732291 /nfs/dbraw/zinc/73/22/91/676732291.db2.gz CYRJSXXJISEUPU-GOSISDBHSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001023128301 679136277 /nfs/dbraw/zinc/13/62/77/679136277.db2.gz YBVPXNQZAUILOS-AHRSYUTCSA-N 2 0 339.483 2.330 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832303 681350980 /nfs/dbraw/zinc/35/09/80/681350980.db2.gz WRGSBQDIEAYGLN-TZRIAGMCSA-N 2 0 331.504 2.053 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001025088142 682002608 /nfs/dbraw/zinc/00/26/08/682002608.db2.gz RFTMJCUHENCVLY-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982694816 682049235 /nfs/dbraw/zinc/04/92/35/682049235.db2.gz QYNKGKHQQBTILI-OYRHEFFESA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982735438 682120531 /nfs/dbraw/zinc/12/05/31/682120531.db2.gz HPPNGHVHSMHTIE-RLLQIKCJSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246778 682315524 /nfs/dbraw/zinc/31/55/24/682315524.db2.gz ZGYDWSWLIJZADR-ROUUACIJSA-N 2 0 346.475 2.381 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(C)C)[C@@H]3C2)CC1 ZINC000992929073 683659532 /nfs/dbraw/zinc/65/95/32/683659532.db2.gz FCSJWGLOLJDYRZ-ZCNNSNEGSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000983901937 683742892 /nfs/dbraw/zinc/74/28/92/683742892.db2.gz OQWOHPJGPYLENV-SZMVWBNQSA-N 2 0 331.504 2.005 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]12 ZINC001026403607 684574995 /nfs/dbraw/zinc/57/49/95/684574995.db2.gz MEUNVOSPOBVOOG-VNQPRFMTSA-N 2 0 348.878 2.340 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990814803 693908615 /nfs/dbraw/zinc/90/86/15/693908615.db2.gz JGERTMHKRKXYTG-LPHOPBHVSA-N 2 0 328.460 2.061 20 30 EEEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262446935 686113328 /nfs/dbraw/zinc/11/33/28/686113328.db2.gz QOYRUNILCZRHCK-ARFHVFGLSA-N 2 0 336.524 2.229 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001027233859 686869891 /nfs/dbraw/zinc/86/98/91/686869891.db2.gz MARBEBWAOVRPEH-IBGZPJMESA-N 2 0 343.515 2.270 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(NC[C@]2(C)CCCC[C@@H]2O)=[NH+]C)CC1 ZINC000262745902 688310338 /nfs/dbraw/zinc/31/03/38/688310338.db2.gz AJKYFDKOAZNRKI-HKUYNNGSSA-N 2 0 336.524 2.133 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988956996 691323828 /nfs/dbraw/zinc/32/38/28/691323828.db2.gz CUJCRKBMHPDQIE-CRAIPNDOSA-N 2 0 340.471 2.122 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC000978537968 693676348 /nfs/dbraw/zinc/67/63/48/693676348.db2.gz WXXZAPBHJYHJCF-LDLYASANSA-N 2 0 336.439 2.356 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)CC1 ZINC001032207167 1193086132 /nfs/dbraw/zinc/08/61/32/1193086132.db2.gz FXYFWPQOIMMRTQ-UHFFFAOYSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001105568430 1188182052 /nfs/dbraw/zinc/18/20/52/1188182052.db2.gz PAHKDYBYIFVHFN-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574973 1188188954 /nfs/dbraw/zinc/18/89/54/1188188954.db2.gz NXVQCDJMYXKOKK-GOSISDBHSA-N 2 0 343.515 2.247 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105578710 1188194224 /nfs/dbraw/zinc/19/42/24/1188194224.db2.gz FGQMSRWDFRUJBG-GOSISDBHSA-N 2 0 333.520 2.491 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001483490230 1190504599 /nfs/dbraw/zinc/50/45/99/1190504599.db2.gz DLGYFCHKJOFTKL-MRXNPFEDSA-N 2 0 336.505 2.144 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034045764 1195696610 /nfs/dbraw/zinc/69/66/10/1195696610.db2.gz MSVZGBOTQUFRMG-QLOJAFMTSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794215 1196736741 /nfs/dbraw/zinc/73/67/41/1196736741.db2.gz BCUHNHHXNXVCCY-HDJSIYSDSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132154320 1199365810 /nfs/dbraw/zinc/36/58/10/1199365810.db2.gz YROLQVSYXHOVAS-DOTOQJQBSA-N 2 0 342.443 2.120 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584234 1199673394 /nfs/dbraw/zinc/67/33/94/1199673394.db2.gz SBTRFGANHNITRT-HZPDHXFCSA-N 2 0 342.487 2.415 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001134763323 1199798483 /nfs/dbraw/zinc/79/84/83/1199798483.db2.gz UWEXBALOLLIJKC-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518788 1199803358 /nfs/dbraw/zinc/80/33/58/1199803358.db2.gz OGHBCMAJIMBMSC-HKUYNNGSSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165335 1200538334 /nfs/dbraw/zinc/53/83/34/1200538334.db2.gz FLUQNKZAWKEMEK-APWZRJJASA-N 2 0 327.472 2.069 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133334023 1200757930 /nfs/dbraw/zinc/75/79/30/1200757930.db2.gz PXWILPRBHSZCMN-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C2)CC1 ZINC001133336786 1200760008 /nfs/dbraw/zinc/76/00/08/1200760008.db2.gz FOEWVORVALHNHO-QUCCMNQESA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C2)CC1 ZINC001133337088 1200761495 /nfs/dbraw/zinc/76/14/95/1200761495.db2.gz INNBNZYFNRFYPQ-MJGOQNOKSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001133337252 1200761618 /nfs/dbraw/zinc/76/16/18/1200761618.db2.gz KYMBOTBDTUDHEB-QUCCMNQESA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133338399 1200762363 /nfs/dbraw/zinc/76/23/63/1200762363.db2.gz VAHTYXQBPWWDHM-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001133399607 1200835290 /nfs/dbraw/zinc/83/52/90/1200835290.db2.gz TYIMJQDPPWIBGU-GOSISDBHSA-N 2 0 347.890 2.376 20 30 EEEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCOC2)cc1C#N ZINC001275172835 1205273779 /nfs/dbraw/zinc/27/37/79/1205273779.db2.gz WRBNFJAOKMMBEW-MIGBEJBISA-N 2 0 328.460 2.018 20 30 EEEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001275606186 1205441924 /nfs/dbraw/zinc/44/19/24/1205441924.db2.gz YYIPJIYWPXTLQW-CALCHBBNSA-N 2 0 336.443 2.020 20 30 EEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000778156134 1207728272 /nfs/dbraw/zinc/72/82/72/1207728272.db2.gz NSOVQSWLEHSQGN-UHFFFAOYSA-N 2 0 349.906 2.468 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111099135 1208168940 /nfs/dbraw/zinc/16/89/40/1208168940.db2.gz RJDXZASGKZHFBY-AKHDSKFASA-N 2 0 349.519 2.173 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948065101 1208850923 /nfs/dbraw/zinc/85/09/23/1208850923.db2.gz HGQYPQMFUKQDGZ-WMZOPIPTSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711011 1209317608 /nfs/dbraw/zinc/31/76/08/1209317608.db2.gz KBUWRDSXTNLGBI-MOPGFXCFSA-N 2 0 333.520 2.445 20 30 EEEDRP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303774052 1213903958 /nfs/dbraw/zinc/90/39/58/1213903958.db2.gz FTBKUIKFGWPCLN-ROUUACIJSA-N 3 0 337.556 2.276 20 30 EEEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000303867128 1213916501 /nfs/dbraw/zinc/91/65/01/1213916501.db2.gz CQGCJBOKVLEXSB-KRWDZBQOSA-N 2 0 349.910 2.117 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550104 1215202098 /nfs/dbraw/zinc/20/20/98/1215202098.db2.gz JXEYDPVEXULTRR-MOPGFXCFSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957561139 1215211832 /nfs/dbraw/zinc/21/18/32/1215211832.db2.gz GIIVLSAOYILFCM-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000304762536 1216104049 /nfs/dbraw/zinc/10/40/49/1216104049.db2.gz VTRVKQHKHLBDHX-HNNXBMFYSA-N 2 0 349.910 2.119 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000960325814 1216495372 /nfs/dbraw/zinc/49/53/72/1216495372.db2.gz DSFXTSLXSBBXPY-QKYXUNIQSA-N 2 0 327.472 2.276 20 30 EEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000964438699 1218366397 /nfs/dbraw/zinc/36/63/97/1218366397.db2.gz ZTDGMPDMGHWXBO-UHFFFAOYSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326083 1221210293 /nfs/dbraw/zinc/21/02/93/1221210293.db2.gz CRFGNIIIIKQINK-PXNSSMCTSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663877 1226748396 /nfs/dbraw/zinc/74/83/96/1226748396.db2.gz VZXFKPXLDGKPOS-MSOLQXFVSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001019816226 1229361960 /nfs/dbraw/zinc/36/19/60/1229361960.db2.gz VNOWGZUGKGFCNC-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133729 1230343918 /nfs/dbraw/zinc/34/39/18/1230343918.db2.gz URCBAFUJXOYJAF-SLFFLAALSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140401 1230355786 /nfs/dbraw/zinc/35/57/86/1230355786.db2.gz FYWPEXLULNCHTJ-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039270572 1230501858 /nfs/dbraw/zinc/50/18/58/1230501858.db2.gz MLQBMWHMVSFCQI-UYTSQGDYSA-N 2 0 325.884 2.335 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039301435 1230516591 /nfs/dbraw/zinc/51/65/91/1230516591.db2.gz IPQZIBHREYJILL-IPQPSQTFSA-N 2 0 331.504 2.384 20 30 EEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039423966 1230601957 /nfs/dbraw/zinc/60/19/57/1230601957.db2.gz VNCBFYCVUPCNOT-QRVBRYPASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275124 1231147410 /nfs/dbraw/zinc/14/74/10/1231147410.db2.gz INYIGTIYSUQIMS-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817863 1231378672 /nfs/dbraw/zinc/37/86/72/1231378672.db2.gz WGCRTEMFFGRAMQ-IBGZPJMESA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883234 1231395264 /nfs/dbraw/zinc/39/52/64/1231395264.db2.gz LAJMJCWONIWAAT-OALUTQOASA-N 2 0 343.515 2.341 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045093043 1233497058 /nfs/dbraw/zinc/49/70/58/1233497058.db2.gz LESOKZQZAFLMKL-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C[C@H](F)CC)CC2)CC1 ZINC001045647095 1233880703 /nfs/dbraw/zinc/88/07/03/1233880703.db2.gz QZMQRKLIDJCOBI-QGZVFWFLSA-N 2 0 337.483 2.050 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938474 1234193383 /nfs/dbraw/zinc/19/33/83/1234193383.db2.gz BYPWGMMEQPJGRG-GGPKGHCWSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977742 1234264726 /nfs/dbraw/zinc/26/47/26/1234264726.db2.gz HOCAIKWZRDRGDH-OAQYLSRUSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3CCCC3)C2)CC1 ZINC001046850604 1235247912 /nfs/dbraw/zinc/24/79/12/1235247912.db2.gz XOAUZIORLHDMKB-HXUWFJFHSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046941406 1235333903 /nfs/dbraw/zinc/33/39/03/1235333903.db2.gz NCNLQPGHSMNSBD-OWCLPIDISA-N 2 0 343.462 2.366 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C/Cl)C3)CC1 ZINC001047209715 1235673957 /nfs/dbraw/zinc/67/39/57/1235673957.db2.gz WOAVDUZUIOLHSI-BDFCZHGLSA-N 2 0 349.906 2.053 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887614 1239144028 /nfs/dbraw/zinc/14/40/28/1239144028.db2.gz CZPCELQNVUMAKD-YYIAUSFCSA-N 2 0 337.895 2.146 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477929 1241073916 /nfs/dbraw/zinc/07/39/16/1241073916.db2.gz KLVLWUAEKJYOFO-ZWKOTPCHSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561748 1241424567 /nfs/dbraw/zinc/42/45/67/1241424567.db2.gz QATOXWVWEOIXAL-RBUKOAKNSA-N 2 0 336.439 2.345 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001001468738 1242330218 /nfs/dbraw/zinc/33/02/18/1242330218.db2.gz VRDALKWIPXKIHM-QGZVFWFLSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@H](C)CC)CC1 ZINC001049922256 1242719835 /nfs/dbraw/zinc/71/98/35/1242719835.db2.gz YMWCIOKNXFNDKW-RLLQIKCJSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764257 1244316335 /nfs/dbraw/zinc/31/63/35/1244316335.db2.gz BCKRIVAGFPFVLN-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101589193 1245994484 /nfs/dbraw/zinc/99/44/84/1245994484.db2.gz BZLKYWGENLPDMO-KRWDZBQOSA-N 2 0 333.520 2.206 20 30 EEEDRP C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053673681 1246626571 /nfs/dbraw/zinc/62/65/71/1246626571.db2.gz FGYKDRUHRVDSCL-QZTJIDSGSA-N 2 0 349.519 2.175 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099663 1254931346 /nfs/dbraw/zinc/93/13/46/1254931346.db2.gz VJQJIFHYCRQFDM-AEFFLSMTSA-N 2 0 327.472 2.354 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299000 1278315617 /nfs/dbraw/zinc/31/56/17/1278315617.db2.gz SILGKGBNIMILEZ-HOTGVXAUSA-N 2 0 342.487 2.273 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001185772640 1278775446 /nfs/dbraw/zinc/77/54/46/1278775446.db2.gz UBNMUKHINCAAJS-IRXDYDNUSA-N 2 0 345.487 2.442 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186604982 1279174771 /nfs/dbraw/zinc/17/47/71/1279174771.db2.gz JXJNMOGGTVDHSO-SFHVURJKSA-N 2 0 333.520 2.302 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001192960518 1282246338 /nfs/dbraw/zinc/24/63/38/1282246338.db2.gz QOHRZAVJKQVIGW-IBGZPJMESA-N 2 0 345.462 2.052 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165314119 1321499063 /nfs/dbraw/zinc/49/90/63/1321499063.db2.gz GJDTVXDFJDBCHA-CQSZACIVSA-N 2 0 333.879 2.295 20 30 EEEDRP C[C@H](C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218552275 1297709538 /nfs/dbraw/zinc/70/95/38/1297709538.db2.gz DIVHGWUMFSAQDH-GRYCIOLGSA-N 2 0 332.473 2.228 20 30 EEEDRP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC1(C)C ZINC001220510908 1298441947 /nfs/dbraw/zinc/44/19/47/1298441947.db2.gz MTMOLNBLLBTFJP-KRWDZBQOSA-N 2 0 342.487 2.196 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CC/C=C\CC)CC1 ZINC001223495445 1300154519 /nfs/dbraw/zinc/15/45/19/1300154519.db2.gz PHNUEGKGEITUEE-VOFKWLDRSA-N 2 0 331.504 2.269 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169191 1300463354 /nfs/dbraw/zinc/46/33/54/1300463354.db2.gz JNFZZVKYFHYGDX-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615883 1302889714 /nfs/dbraw/zinc/88/97/14/1302889714.db2.gz WLUSLTJNNIFELO-RTBURBONSA-N 2 0 331.504 2.149 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001229653262 1302906781 /nfs/dbraw/zinc/90/67/81/1302906781.db2.gz WYMYZMYRXABIPU-QRVBRYPASA-N 2 0 327.472 2.330 20 30 EEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001103436053 1302958817 /nfs/dbraw/zinc/95/88/17/1302958817.db2.gz IQCVZVKORYEORO-MDZRGWNJSA-N 2 0 339.499 2.459 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229859671 1302968810 /nfs/dbraw/zinc/96/88/10/1302968810.db2.gz AVNMLMVBKITDGU-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001230354722 1303175684 /nfs/dbraw/zinc/17/56/84/1303175684.db2.gz JYUXBXDNHJZYTP-WAYWQWQTSA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103631559 1303175944 /nfs/dbraw/zinc/17/59/44/1303175944.db2.gz SVDNKVKJRFINIX-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001231820841 1303925982 /nfs/dbraw/zinc/92/59/82/1303925982.db2.gz XNNCDOOUTNQUIQ-UHFFFAOYSA-N 2 0 343.519 2.106 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)CC1 ZINC001232893517 1304285930 /nfs/dbraw/zinc/28/59/30/1304285930.db2.gz DTNFQJDCPBHRFN-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001121111038 1309917671 /nfs/dbraw/zinc/91/76/71/1309917671.db2.gz CAHDKVPENXKWTR-QAELIBMJSA-N 2 0 331.504 2.311 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001121288968 1309969750 /nfs/dbraw/zinc/96/97/50/1309969750.db2.gz MWXUVOSNSMQFPB-BMTWLGCMSA-N 2 0 329.488 2.044 20 30 EEEDRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246115326 1310239078 /nfs/dbraw/zinc/23/90/78/1310239078.db2.gz YPEPFYQXYJGHNB-CRAIPNDOSA-N 2 0 340.471 2.141 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246314651 1310279772 /nfs/dbraw/zinc/27/97/72/1310279772.db2.gz YCZHXWMKJZSRMI-ZOBUZTSGSA-N 2 0 325.497 2.112 20 30 EEEDRP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001253580727 1317886364 /nfs/dbraw/zinc/88/63/64/1317886364.db2.gz FFPARHHRJPNXNP-IBGZPJMESA-N 2 0 330.472 2.209 20 30 EEEDRP N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001254663482 1318160951 /nfs/dbraw/zinc/16/09/51/1318160951.db2.gz CBTMYJVYKKKBEU-MTFMMBMASA-N 2 0 340.471 2.297 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256815 1318527137 /nfs/dbraw/zinc/52/71/37/1318527137.db2.gz XMTDQCYHZISPSV-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP N#Cc1c2c(cnc1-n1c(CC[NH3+])cc3ccccc31)C[NH2+]CCC2 ZINC001160123889 1320075250 /nfs/dbraw/zinc/07/52/50/1320075250.db2.gz NKVAMEGXCCUXGP-UHFFFAOYSA-N 2 0 331.423 2.434 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353038 1320141768 /nfs/dbraw/zinc/14/17/68/1320141768.db2.gz NYORUEQOWZTYQW-IBGZPJMESA-N 2 0 331.504 2.126 20 30 EEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001160997376 1320348756 /nfs/dbraw/zinc/34/87/56/1320348756.db2.gz PMPFHAJALLNSQH-IBGZPJMESA-N 2 0 349.519 2.200 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001163006660 1321011907 /nfs/dbraw/zinc/01/19/07/1321011907.db2.gz IFUWKSJXKBVATP-FQEVSTJZSA-N 2 0 341.499 2.155 20 30 EEEDRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001165727873 1321574385 /nfs/dbraw/zinc/57/43/85/1321574385.db2.gz JDJWFDHTHLDNSI-GOSISDBHSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C12CCC2 ZINC001203426453 1321878926 /nfs/dbraw/zinc/87/89/26/1321878926.db2.gz KRQFLPNEBJGMPP-RTBURBONSA-N 2 0 341.499 2.364 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203601988 1321920976 /nfs/dbraw/zinc/92/09/76/1321920976.db2.gz VMHCZZZGMPANLH-UHFFFAOYSA-N 2 0 345.487 2.192 20 30 EEEDRP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001262941208 1322399772 /nfs/dbraw/zinc/39/97/72/1322399772.db2.gz FSFZDXYGVAQRCH-KRWDZBQOSA-N 2 0 346.523 2.194 20 30 EEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415911 1323121577 /nfs/dbraw/zinc/12/15/77/1323121577.db2.gz QIKSQXKWODNYDX-QGZVFWFLSA-N 2 0 327.488 2.461 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205853996 1323320542 /nfs/dbraw/zinc/32/05/42/1323320542.db2.gz RDCPWHYBJVYVFU-UHFFFAOYSA-N 2 0 327.900 2.442 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206794801 1323599388 /nfs/dbraw/zinc/59/93/88/1323599388.db2.gz TXQRAEBPAYPWDM-UHFFFAOYSA-N 2 0 341.499 2.208 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946464 1324224975 /nfs/dbraw/zinc/22/49/75/1324224975.db2.gz FNRBXRQIALMWKX-CRAIPNDOSA-N 2 0 339.443 2.284 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190837 1325197069 /nfs/dbraw/zinc/19/70/69/1325197069.db2.gz YPMQFFCSKCUBCX-ZWKOTPCHSA-N 2 0 339.524 2.136 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210645830 1325364818 /nfs/dbraw/zinc/36/48/18/1325364818.db2.gz UZHBKAIAWIKHOY-MOPGFXCFSA-N 2 0 327.472 2.283 20 30 EEEDRP C=CCC1(O)CC[NH+](CC(C)C[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC001337602498 1336718218 /nfs/dbraw/zinc/71/82/18/1336718218.db2.gz QMULUUQLNIGFFD-UHFFFAOYSA-N 2 0 336.520 2.429 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC001351344184 1337810527 /nfs/dbraw/zinc/81/05/27/1337810527.db2.gz NPIXNCKEILLHHG-UHFFFAOYSA-N 2 0 346.475 2.012 20 30 EEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCCO1 ZINC001201557586 1368819988 /nfs/dbraw/zinc/81/99/88/1368819988.db2.gz IKFQDTCKMZLSMG-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CCCO1 ZINC001202200628 1368893666 /nfs/dbraw/zinc/89/36/66/1368893666.db2.gz OZCGTQVAUATOBY-KRWDZBQOSA-N 2 0 349.475 2.128 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001121184665 1371863017 /nfs/dbraw/zinc/86/30/17/1371863017.db2.gz XPRPTUCRDXFOEA-UHFFFAOYSA-N 2 0 345.512 2.464 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001122005650 1371940127 /nfs/dbraw/zinc/94/01/27/1371940127.db2.gz QPKPRAZJKOWQSK-ROUUACIJSA-N 2 0 339.524 2.245 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000838622356 1372855980 /nfs/dbraw/zinc/85/59/80/1372855980.db2.gz GOYJHHBPLVOOME-UHFFFAOYSA-N 2 0 336.524 2.095 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3cccc(C#N)c3)CCCC2)C1 ZINC001367163862 1374109426 /nfs/dbraw/zinc/10/94/26/1374109426.db2.gz BSHYOSBLEDSLLO-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[N@H+](Cc1ccc(C#N)cc1)C1CC1)[NH+](C)C ZINC001372897340 1376278241 /nfs/dbraw/zinc/27/82/41/1376278241.db2.gz TZAFAUPKKRTQRH-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001376396659 1378522154 /nfs/dbraw/zinc/52/21/54/1378522154.db2.gz KPFXAGCVCAGDPR-GUDVDZBRSA-N 2 0 342.487 2.415 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001378372253 1379893844 /nfs/dbraw/zinc/89/38/44/1379893844.db2.gz ZUXLZRSQERKTED-UHFFFAOYSA-N 2 0 327.900 2.489 20 30 EEEDRP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCCCC1 ZINC001379142168 1380574514 /nfs/dbraw/zinc/57/45/14/1380574514.db2.gz XSUSBSOWWGPUHK-UHFFFAOYSA-N 2 0 342.487 2.324 20 30 EEEDRP C[N@H+](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001379881773 1380929623 /nfs/dbraw/zinc/92/96/23/1380929623.db2.gz SUJJAZCUIOPGSV-IBGZPJMESA-N 2 0 340.471 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001381277956 1381580861 /nfs/dbraw/zinc/58/08/61/1381580861.db2.gz GPFVKKFAVWGWEO-INIZCTEOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001393746970 1390526629 /nfs/dbraw/zinc/52/66/29/1390526629.db2.gz LAVPSPKQJKLTRJ-OCCSQVGLSA-N 2 0 346.313 2.063 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001393789263 1390543032 /nfs/dbraw/zinc/54/30/32/1390543032.db2.gz RDHWLUUFYBBDKO-LSDHHAIUSA-N 2 0 348.516 2.431 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1)C1CCC1 ZINC001397121488 1391093243 /nfs/dbraw/zinc/09/32/43/1391093243.db2.gz JQUAYZFXXOTONB-RZDIXWSQSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001753020637 1406594831 /nfs/dbraw/zinc/59/48/31/1406594831.db2.gz VHUBMMSFALPIES-OAHLLOKOSA-N 2 0 347.528 2.386 20 30 EEEDRP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001401430088 1397285012 /nfs/dbraw/zinc/28/50/12/1397285012.db2.gz JFMXZUWEDIKDNE-UHFFFAOYSA-N 2 0 340.471 2.077 20 30 EEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755074849 1407083834 /nfs/dbraw/zinc/08/38/34/1407083834.db2.gz OFTBHRMGPAGSCT-SFHVURJKSA-N 2 0 333.520 2.491 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001425687507 1401736750 /nfs/dbraw/zinc/73/67/50/1401736750.db2.gz ZCHSYMLSZWWEGC-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001425969649 1401823630 /nfs/dbraw/zinc/82/36/30/1401823630.db2.gz PVAUIQOSENRTDE-KGLIPLIRSA-N 2 0 346.313 2.111 20 30 EEEDRP CC#CC[N@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001755533412 1407599405 /nfs/dbraw/zinc/59/94/05/1407599405.db2.gz QOKJRNQXNTZIQM-UHFFFAOYSA-N 2 0 341.499 2.350 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001111904895 1410859886 /nfs/dbraw/zinc/85/98/86/1410859886.db2.gz QIDZJKKOJGPKJR-ICSRJNTNSA-N 2 0 333.520 2.493 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001168030983 782423769 /nfs/dbraw/zinc/42/37/69/782423769.db2.gz WMDKGAGLXJYXAU-OALUTQOASA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104257008 757740646 /nfs/dbraw/zinc/74/06/46/757740646.db2.gz ZZGUGUGPCQUKFT-BMFZPTHFSA-N 2 0 347.906 2.493 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203407045 760488322 /nfs/dbraw/zinc/48/83/22/760488322.db2.gz BCSUZGLOLRTGQF-UHFFFAOYSA-N 2 0 348.516 2.432 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461827 760942034 /nfs/dbraw/zinc/94/20/34/760942034.db2.gz SCSHJHNETNQGDS-QUCCMNQESA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC=C)[C@H]3C2(C)C)CC1 ZINC001087317318 761613531 /nfs/dbraw/zinc/61/35/31/761613531.db2.gz GRCCSJHQQZMVOB-IPMKNSEASA-N 2 0 343.515 2.123 20 30 EEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104860320 765447438 /nfs/dbraw/zinc/44/74/38/765447438.db2.gz BVFQGEXJSCDZEP-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445849 769293478 /nfs/dbraw/zinc/29/34/78/769293478.db2.gz NBKPDJLZGOONMN-ROUUACIJSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446351 769309557 /nfs/dbraw/zinc/30/95/57/769309557.db2.gz WGASMCDQYIKLBG-RTBURBONSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457583 769411256 /nfs/dbraw/zinc/41/12/56/769411256.db2.gz BXQFSGZLABQJPP-KRWDZBQOSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849402 770334521 /nfs/dbraw/zinc/33/45/21/770334521.db2.gz QYQXSBQRMJRXTK-HNNXBMFYSA-N 2 0 339.911 2.395 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052824 782945267 /nfs/dbraw/zinc/94/52/67/782945267.db2.gz XRMIGCCFAJNDIT-UHFFFAOYSA-N 2 0 337.512 2.125 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@H](C)C2)CC1 ZINC000948070328 773436186 /nfs/dbraw/zinc/43/61/86/773436186.db2.gz ONFIZXFIZREFMD-MJGOQNOKSA-N 2 0 331.504 2.267 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138967 773928763 /nfs/dbraw/zinc/92/87/63/773928763.db2.gz IEDJFCXNNLKGFE-KSZLIROESA-N 2 0 336.439 2.188 20 30 EEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000980464545 774664361 /nfs/dbraw/zinc/66/43/61/774664361.db2.gz COBMUGSENHIDBP-INIZCTEOSA-N 2 0 333.501 2.215 20 30 EEEDRP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089820975 776965044 /nfs/dbraw/zinc/96/50/44/776965044.db2.gz PZJXTMKTJNOFRJ-NQYYFHDYSA-N 2 0 331.504 2.216 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093729 777407645 /nfs/dbraw/zinc/40/76/45/777407645.db2.gz PFEPSUXYCZXERS-RBUKOAKNSA-N 2 0 331.504 2.387 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000981526800 777587887 /nfs/dbraw/zinc/58/78/87/777587887.db2.gz AFIPWALVTVGXRA-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982012702 778862437 /nfs/dbraw/zinc/86/24/37/778862437.db2.gz DYEHGJRLXLKASF-FQEVSTJZSA-N 2 0 349.494 2.147 20 30 EEEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052213 778998723 /nfs/dbraw/zinc/99/87/23/778998723.db2.gz DKFDBXKAWRSYKS-SFHVURJKSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982117039 779127891 /nfs/dbraw/zinc/12/78/91/779127891.db2.gz XWMDWNCMAXIPMN-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCC(C)C)C3)CC1 ZINC000982162251 779180693 /nfs/dbraw/zinc/18/06/93/779180693.db2.gz LJEJHWMBRCWZRN-UHFFFAOYSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101089 781723256 /nfs/dbraw/zinc/72/32/56/781723256.db2.gz QJPMVSJHQJPJPE-HOCLYGCPSA-N 2 0 333.501 2.273 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088328966 783522921 /nfs/dbraw/zinc/52/29/21/783522921.db2.gz KMBIJRPKKXLAGS-OALUTQOASA-N 2 0 331.504 2.245 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035183976 784019149 /nfs/dbraw/zinc/01/91/49/784019149.db2.gz CEOQYOKKJJGWOK-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035257274 784206789 /nfs/dbraw/zinc/20/67/89/784206789.db2.gz VGCQIHNYFSDKOZ-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939110 784831326 /nfs/dbraw/zinc/83/13/26/784831326.db2.gz UMLOMQCQLICLBZ-KBPBESRZSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CC=C(C)C)C3)CC2)CC1 ZINC001035856369 785296211 /nfs/dbraw/zinc/29/62/11/785296211.db2.gz MUFPHZWPYODMHR-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997373002 789868211 /nfs/dbraw/zinc/86/82/11/789868211.db2.gz MXQFDXPGELXPQO-QGZVFWFLSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001171235305 790255644 /nfs/dbraw/zinc/25/56/44/790255644.db2.gz GWPUYTQNJLZJCX-AEFFLSMTSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cnc4c3CCCC4)CCC[C@H]12 ZINC000991879981 791227172 /nfs/dbraw/zinc/22/71/72/791227172.db2.gz BEYHRFFCQOPZFF-HKUYNNGSSA-N 2 0 328.460 2.061 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593104 791361756 /nfs/dbraw/zinc/36/17/56/791361756.db2.gz OANCNCJLFZTHQG-GJZGRUSLSA-N 2 0 348.466 2.410 20 30 EEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147716968 791923569 /nfs/dbraw/zinc/92/35/69/791923569.db2.gz PHQJSHIFEQFKNL-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672785 792117884 /nfs/dbraw/zinc/11/78/84/792117884.db2.gz UITCGMJNLPYPBP-XLIONFOSSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055450 793424215 /nfs/dbraw/zinc/42/42/15/793424215.db2.gz CGMRRKHYUNBGRU-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364983 793821834 /nfs/dbraw/zinc/82/18/34/793821834.db2.gz BNSOKQJIANWQNG-UYAOXDASSA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261661354 794093920 /nfs/dbraw/zinc/09/39/20/794093920.db2.gz AUPAXRXHZWBZCH-IAAVTCLWSA-N 2 0 326.488 2.265 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001079287033 794556933 /nfs/dbraw/zinc/55/69/33/794556933.db2.gz LEKYPNIGZBEMDA-QXAKKESOSA-N 2 0 345.462 2.380 20 30 EEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748225 794761697 /nfs/dbraw/zinc/76/16/97/794761697.db2.gz ZMFMOKXQPBNPHR-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093363288 795090904 /nfs/dbraw/zinc/09/09/04/795090904.db2.gz YMNDYCLLPRKKTM-QZTJIDSGSA-N 2 0 331.504 2.360 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)[NH+](C)C ZINC001093857607 795740808 /nfs/dbraw/zinc/74/08/08/795740808.db2.gz NQWHVDQLMIVWEV-ATZDWAIDSA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168667528 795879228 /nfs/dbraw/zinc/87/92/28/795879228.db2.gz WDTSAXYJPZIVSU-AWEZNQCLSA-N 2 0 348.329 2.357 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434231 796227628 /nfs/dbraw/zinc/22/76/28/796227628.db2.gz YMWHWIPQELQYHY-QKNQBKEWSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1 ZINC001081118508 796659060 /nfs/dbraw/zinc/65/90/60/796659060.db2.gz HVPSTSXJJLAHAE-SLFFLAALSA-N 2 0 339.483 2.098 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078818989 797024108 /nfs/dbraw/zinc/02/41/08/797024108.db2.gz HCGGSZYROPJIKB-MSOLQXFVSA-N 2 0 325.456 2.012 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993818423 797047395 /nfs/dbraw/zinc/04/73/95/797047395.db2.gz FTIJAGRTJPSBKW-LPHOPBHVSA-N 2 0 327.472 2.007 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC001001756035 797174471 /nfs/dbraw/zinc/17/44/71/797174471.db2.gz CPPUBTUDWNCMME-IBGZPJMESA-N 2 0 349.519 2.034 20 30 EEEDRP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968400 797174530 /nfs/dbraw/zinc/17/45/30/797174530.db2.gz LIMGRKZSLWEXCK-FJBKBRRZSA-N 2 0 336.480 2.480 20 30 EEEDRP C[NH+]1CCC(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173421072 797440306 /nfs/dbraw/zinc/44/03/06/797440306.db2.gz NEVKJCKEQGNKTH-UHFFFAOYSA-N 2 0 340.471 2.094 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382814 797485674 /nfs/dbraw/zinc/48/56/74/797485674.db2.gz VPQHTJPVKJFAEF-RTBURBONSA-N 2 0 345.487 2.143 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082699657 797651087 /nfs/dbraw/zinc/65/10/87/797651087.db2.gz NRHPTXKGDKZOAE-FVQBIDKESA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567591 806615022 /nfs/dbraw/zinc/61/50/22/806615022.db2.gz XTGYZGLYVWSFDW-RDJZCZTQSA-N 2 0 327.900 2.299 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580233 806668905 /nfs/dbraw/zinc/66/89/05/806668905.db2.gz DUFXFRBEDXJSOY-ICSRJNTNSA-N 2 0 331.504 2.104 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108051322 798651017 /nfs/dbraw/zinc/65/10/17/798651017.db2.gz ISZWDWRRXVZGTF-IBGZPJMESA-N 2 0 342.443 2.121 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584990 806704372 /nfs/dbraw/zinc/70/43/72/806704372.db2.gz SWJUSKIKNMVPGB-ICSRJNTNSA-N 2 0 331.504 2.104 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199581 800237378 /nfs/dbraw/zinc/23/73/78/800237378.db2.gz SEGQSGLWMJJFTP-QXAKKESOSA-N 2 0 331.504 2.291 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085646981 800959003 /nfs/dbraw/zinc/95/90/03/800959003.db2.gz XOVRGUCVIKOZJR-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001184496616 802036934 /nfs/dbraw/zinc/03/69/34/802036934.db2.gz DJXKBKBGMRZUBN-GJZGRUSLSA-N 2 0 333.501 2.131 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004443571 802055922 /nfs/dbraw/zinc/05/59/22/802055922.db2.gz SEAAQEZLJNCJPS-QRQLOZEOSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004450531 802071691 /nfs/dbraw/zinc/07/16/91/802071691.db2.gz MUOVBRKOPHMONA-BHIYHBOVSA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004522722 802286015 /nfs/dbraw/zinc/28/60/15/802286015.db2.gz OPGKCXNQYHBVTE-IHPCNDPISA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631683 802428454 /nfs/dbraw/zinc/42/84/54/802428454.db2.gz TYOIXBZLZIYZON-CEXWTWQISA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108258013 802597724 /nfs/dbraw/zinc/59/77/24/802597724.db2.gz OVJXYZSDOSSBJT-HKUYNNGSSA-N 2 0 337.508 2.033 20 30 EEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082706 802957908 /nfs/dbraw/zinc/95/79/08/802957908.db2.gz HATNCVUIWMADSH-ROUUACIJSA-N 2 0 341.540 2.240 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354986 803359153 /nfs/dbraw/zinc/35/91/53/803359153.db2.gz SNZMIGWHOIZGHK-IEBWSBKVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108421695 803533242 /nfs/dbraw/zinc/53/32/42/803533242.db2.gz SQXSPMHTCWCAIR-HKUYNNGSSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801072 804526106 /nfs/dbraw/zinc/52/61/06/804526106.db2.gz RVIQSOJAXCJQCZ-JYJNAYRXSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828257 804572089 /nfs/dbraw/zinc/57/20/89/804572089.db2.gz JNPLRVFQORQOJG-OTWHNJEPSA-N 2 0 349.519 2.034 20 30 EEEDRP CCCCCCC[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001113462502 809032829 /nfs/dbraw/zinc/03/28/29/809032829.db2.gz DYJGDNKCGHRONM-UHFFFAOYSA-N 2 0 339.524 2.212 20 30 EEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001113634412 809396084 /nfs/dbraw/zinc/39/60/84/809396084.db2.gz BMPBSUSOFKFYIL-GOSISDBHSA-N 2 0 339.524 2.069 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438814935 1091433178 /nfs/dbraw/zinc/43/31/78/1091433178.db2.gz GDZOIXVEKIWFKE-QZTJIDSGSA-N 2 0 346.450 2.022 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CN1C(=O)CCC[NH+](C)C ZINC001449036581 1094049217 /nfs/dbraw/zinc/04/92/17/1094049217.db2.gz WKXJMWXBNXSEAZ-PBHICJAKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001441198874 1094558832 /nfs/dbraw/zinc/55/88/32/1094558832.db2.gz SDRFXMFRWDTZTC-OAHLLOKOSA-N 2 0 327.900 2.488 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001441439779 1095058456 /nfs/dbraw/zinc/05/84/56/1095058456.db2.gz MLRNMXOWVWRZFD-WGSAOQKQSA-N 2 0 340.471 2.171 20 30 EEEDRP Cc1c(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)ccc2c[nH+]cn21 ZINC001569066097 1125076099 /nfs/dbraw/zinc/07/60/99/1125076099.db2.gz IMTSXFAQTSJNPB-AWEZNQCLSA-N 2 0 347.422 2.423 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000053064941 214162124 /nfs/dbraw/zinc/16/21/24/214162124.db2.gz JMIZFQICLKCYQU-UHFFFAOYSA-N 2 0 334.467 2.466 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396690 781929450 /nfs/dbraw/zinc/92/94/50/781929450.db2.gz SLPSGYIZLCPXPK-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000189947665 237429889 /nfs/dbraw/zinc/42/98/89/237429889.db2.gz UNWGBERJFWEFDD-OAHLLOKOSA-N 2 0 328.460 2.009 20 30 EEEDRP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105396792 781943656 /nfs/dbraw/zinc/94/36/56/781943656.db2.gz WHZZJJRTQSVGJI-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCOc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000264996362 247121255 /nfs/dbraw/zinc/12/12/55/247121255.db2.gz YKJHKRURVBPGKO-SFHVURJKSA-N 2 0 329.488 2.062 20 30 EEEDRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC000424148117 278709190 /nfs/dbraw/zinc/70/91/90/278709190.db2.gz TYPOASTXSRBKGP-DAWZGUTISA-N 2 0 334.508 2.367 20 30 EEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000336879078 465074888 /nfs/dbraw/zinc/07/48/88/465074888.db2.gz LCUACGSMEYKWMK-BPQIPLTHSA-N 2 0 331.460 2.103 20 30 EEEDRP CC[NH+]=C(NCc1ncc(CC)s1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000130719596 462773173 /nfs/dbraw/zinc/77/31/73/462773173.db2.gz YJAXZVAAWVEEBX-CQSZACIVSA-N 2 0 333.505 2.117 20 30 EEEDRP CCNC(NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)=[NH+]CC ZINC000066244104 462866491 /nfs/dbraw/zinc/86/64/91/462866491.db2.gz AGMRNDUETWNICJ-UHFFFAOYSA-N 2 0 332.492 2.482 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000066921736 462946759 /nfs/dbraw/zinc/94/67/59/462946759.db2.gz CQDXUHHUIAIMOF-IAGOWNOFSA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000139057920 463317805 /nfs/dbraw/zinc/31/78/05/463317805.db2.gz NFXPBTNREBLDSS-SJLPKXTDSA-N 2 0 334.508 2.153 20 30 EEEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150752248 463420422 /nfs/dbraw/zinc/42/04/22/463420422.db2.gz ITHXJGJFFXDINI-KRWDZBQOSA-N 2 0 326.444 2.305 20 30 EEEDRP C[C@H](CNc1cc(NC[C@H](C)[NH+](C)C)cc(C#N)c1[N+](=O)[O-])[NH+](C)C ZINC000277035250 463851743 /nfs/dbraw/zinc/85/17/43/463851743.db2.gz FHKJASNLVXGRDO-QWHCGFSZSA-N 2 0 348.451 2.190 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)CC1 ZINC000195104382 463991303 /nfs/dbraw/zinc/99/13/03/463991303.db2.gz DZSPANXQKJMVAR-IBGZPJMESA-N 2 0 337.467 2.343 20 30 EEEDRP C[NH+]=C(NCc1ccco1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000264040193 464277646 /nfs/dbraw/zinc/27/76/46/464277646.db2.gz IFIRPERTVHILFP-UHFFFAOYSA-N 2 0 336.505 2.306 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000264069036 464279814 /nfs/dbraw/zinc/27/98/14/464279814.db2.gz FRKIBHFKVYYHPT-UHFFFAOYSA-N 2 0 336.480 2.227 20 30 EEEDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181467206 464494319 /nfs/dbraw/zinc/49/43/19/464494319.db2.gz WGJRJCVQNCIEHN-MRXNPFEDSA-N 2 0 330.476 2.266 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000189996373 464581450 /nfs/dbraw/zinc/58/14/50/464581450.db2.gz UAYBUTHJHMJZPR-UXPWSPDFSA-N 2 0 345.487 2.318 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000593919499 468434382 /nfs/dbraw/zinc/43/43/82/468434382.db2.gz XAURWXBQAKAVQE-SFHVURJKSA-N 2 0 340.471 2.171 20 30 EEEDRP O=C(N[C@@H]1CCn2ccnc2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000330250411 465587355 /nfs/dbraw/zinc/58/73/55/465587355.db2.gz HDZOBRJMUGUIGQ-OAHLLOKOSA-N 2 0 331.464 2.062 20 30 EEEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363633623 466520577 /nfs/dbraw/zinc/52/05/77/466520577.db2.gz GTWABSDKVVWJSZ-SFHVURJKSA-N 2 0 349.519 2.010 20 30 EEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372706842 466547322 /nfs/dbraw/zinc/54/73/22/466547322.db2.gz QQXSMROWTAORBB-KKXNLOMOSA-N 2 0 326.488 2.226 20 30 EEEDRP COCC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000423405040 466741068 /nfs/dbraw/zinc/74/10/68/466741068.db2.gz IYBCBTGJZLPLQW-UHFFFAOYSA-N 2 0 342.487 2.133 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376328536 466905836 /nfs/dbraw/zinc/90/58/36/466905836.db2.gz SZCCYVRYDCWWSM-AEFFLSMTSA-N 2 0 334.508 2.295 20 30 EEEDRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1cccs1 ZINC000424138995 466988424 /nfs/dbraw/zinc/98/84/24/466988424.db2.gz DRDHGUREORMWRO-IJEWVQPXSA-N 2 0 334.489 2.268 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000424143151 466989901 /nfs/dbraw/zinc/98/99/01/466989901.db2.gz WBZODFQBOBIRNW-GOSISDBHSA-N 2 0 328.460 2.310 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000424159030 466993109 /nfs/dbraw/zinc/99/31/09/466993109.db2.gz SCDSEACNONUARU-MRXNPFEDSA-N 2 0 332.473 2.195 20 30 EEEDRP CC[C@H](CC#N)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000566429476 468151952 /nfs/dbraw/zinc/15/19/52/468151952.db2.gz VZMREOYCBGYQKV-GOSISDBHSA-N 2 0 328.460 2.180 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600721425 468634224 /nfs/dbraw/zinc/63/42/24/468634224.db2.gz MGGXJLUHPCDAGK-FUHWJXTLSA-N 2 0 331.460 2.008 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571342252 468774050 /nfs/dbraw/zinc/77/40/50/468774050.db2.gz YQKFGFXQHFCFQB-GOSISDBHSA-N 2 0 327.472 2.275 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(C#N)c(Cl)s1 ZINC000596148767 469175311 /nfs/dbraw/zinc/17/53/11/469175311.db2.gz LUYSCCUBRQZLKW-UHFFFAOYSA-N 2 0 329.901 2.378 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC000970792843 676154591 /nfs/dbraw/zinc/15/45/91/676154591.db2.gz ZKGJHYDRQANHSP-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC000970334449 675797325 /nfs/dbraw/zinc/79/73/25/675797325.db2.gz JYZXNWRTMWFDBV-OAHLLOKOSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCC=C)CC[C@@H]32)CC1 ZINC001021738668 676396829 /nfs/dbraw/zinc/39/68/29/676396829.db2.gz CNTWMWNLNNDCCI-UXHICEINSA-N 2 0 343.515 2.221 20 30 EEEDRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001025087015 681997710 /nfs/dbraw/zinc/99/77/10/681997710.db2.gz NYEQGRGQHVHDMO-MOPGFXCFSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]12 ZINC001026284064 684191209 /nfs/dbraw/zinc/19/12/09/684191209.db2.gz OQFATRHIOHEPPZ-QLFBSQMISA-N 2 0 325.884 2.050 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]12 ZINC001026302075 684219931 /nfs/dbraw/zinc/21/99/31/684219931.db2.gz JMXFWULGGSEUJA-BZUAXINKSA-N 2 0 337.895 2.194 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001027043027 685735103 /nfs/dbraw/zinc/73/51/03/685735103.db2.gz UKGDVYICSRXCHV-WMLDXEAASA-N 2 0 348.516 2.144 20 30 EEEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001027044575 685739425 /nfs/dbraw/zinc/73/94/25/685739425.db2.gz ZKVSXDXHHYCCFY-QFBILLFUSA-N 2 0 342.487 2.083 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262464580 686168619 /nfs/dbraw/zinc/16/86/19/686168619.db2.gz YCKUFRBNOHTJKC-ITQYTPKQSA-N 2 0 326.488 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001027234154 686870177 /nfs/dbraw/zinc/87/01/77/686870177.db2.gz QOZZTUNXWRPXIR-LJQANCHMSA-N 2 0 345.531 2.350 20 30 EEEDRP C=C(Cl)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990763638 693627499 /nfs/dbraw/zinc/62/74/99/693627499.db2.gz OLGTUXVRCIQABO-ANQUJSFKSA-N 2 0 325.884 2.192 20 30 EEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381417 1186747630 /nfs/dbraw/zinc/74/76/30/1186747630.db2.gz DNJSCTDUUPSDIG-QFBILLFUSA-N 2 0 337.483 2.193 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001105439005 1187121162 /nfs/dbraw/zinc/12/11/62/1187121162.db2.gz VNEQBKVGSAKUOX-XFIJJGBISA-N 2 0 341.499 2.176 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539219 1188160145 /nfs/dbraw/zinc/16/01/45/1188160145.db2.gz BKUWIMREFSPYNI-QRVBRYPASA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105539612 1188160879 /nfs/dbraw/zinc/16/08/79/1188160879.db2.gz LJZHBJZMFAGCPF-QRVBRYPASA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563926 1188179658 /nfs/dbraw/zinc/17/96/58/1188179658.db2.gz UCKNCYXCHYWJJP-RTBURBONSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)CCC1 ZINC001105566787 1188180576 /nfs/dbraw/zinc/18/05/76/1188180576.db2.gz VJEHNWWFIIGYNC-KRWDZBQOSA-N 2 0 328.460 2.117 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627044 1189053442 /nfs/dbraw/zinc/05/34/42/1189053442.db2.gz KPRBHNXJPGPZRD-FUHWJXTLSA-N 2 0 343.471 2.291 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991068783 1189834118 /nfs/dbraw/zinc/83/41/18/1189834118.db2.gz PQQCTWQQCAGIKV-QWFCFKBJSA-N 2 0 331.504 2.386 20 30 EEEDRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273039950 1194344258 /nfs/dbraw/zinc/34/42/58/1194344258.db2.gz YPYBVQOFAXWRQX-QZTJIDSGSA-N 2 0 332.492 2.087 20 30 EEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001034734783 1196634421 /nfs/dbraw/zinc/63/44/21/1196634421.db2.gz YQKOOENRMSTOKG-MPGHIAIKSA-N 2 0 325.472 2.402 20 30 EEEDRP CC[NH+]1CCC(C[NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273143093 1196999293 /nfs/dbraw/zinc/99/92/93/1196999293.db2.gz BIUVKFGAOAQGFS-SFHVURJKSA-N 2 0 346.519 2.240 20 30 EEEDRP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018308729 1224593250 /nfs/dbraw/zinc/59/32/50/1224593250.db2.gz BGDQROBQZGXAGF-HDICACEKSA-N 2 0 325.456 2.060 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132887759 1200154845 /nfs/dbraw/zinc/15/48/45/1200154845.db2.gz HUWGTQIVSBZGRT-UKRRQHHQSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001133090917 1200432736 /nfs/dbraw/zinc/43/27/36/1200432736.db2.gz MDCSQXUGEWTXAO-QFBILLFUSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001133091932 1200434292 /nfs/dbraw/zinc/43/42/92/1200434292.db2.gz WNVJFSFPMMPGAZ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206075127 1200546686 /nfs/dbraw/zinc/54/66/86/1200546686.db2.gz ZUYQMRDTHBULRK-UHFFFAOYSA-N 2 0 346.313 2.065 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001133354101 1200783529 /nfs/dbraw/zinc/78/35/29/1200783529.db2.gz MWANWVLTCGBREL-DLBZAZTESA-N 2 0 345.487 2.442 20 30 EEEDRP C#CCN1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000884103283 1202233095 /nfs/dbraw/zinc/23/30/95/1202233095.db2.gz GFOJFSNGYRJROY-LJQANCHMSA-N 2 0 346.519 2.038 20 30 EEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000104183185 1204613305 /nfs/dbraw/zinc/61/33/05/1204613305.db2.gz ZVAOJIQZOULRRW-QGZVFWFLSA-N 2 0 325.545 2.133 20 30 EEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)cc1C#N ZINC001275172667 1205273718 /nfs/dbraw/zinc/27/37/18/1205273718.db2.gz RUIQVZQZMULTLL-QGZVFWFLSA-N 2 0 342.487 2.221 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947567632 1208624115 /nfs/dbraw/zinc/62/41/15/1208624115.db2.gz FYISDELILIAIEG-FUHWJXTLSA-N 2 0 327.472 2.007 20 30 EEEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000303791179 1213906059 /nfs/dbraw/zinc/90/60/59/1213906059.db2.gz XCSPKMMZJWHVLC-GOSISDBHSA-N 2 0 349.498 2.239 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550106 1215202232 /nfs/dbraw/zinc/20/22/32/1215202232.db2.gz JXEYDPVEXULTRR-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Cl)c1 ZINC000304806851 1216107054 /nfs/dbraw/zinc/10/70/54/1216107054.db2.gz SOUUCKCCNRANDH-DZGCQCFKSA-N 2 0 338.883 2.496 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000961991721 1217440364 /nfs/dbraw/zinc/44/03/64/1217440364.db2.gz GLJYHUGDHKWGRA-MQBCKMQZSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963393948 1217591346 /nfs/dbraw/zinc/59/13/46/1217591346.db2.gz ZXPHRRGECBGHAI-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC ZINC001037885682 1219972955 /nfs/dbraw/zinc/97/29/55/1219972955.db2.gz JJLVYZUOXCJIRP-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001037942462 1220579769 /nfs/dbraw/zinc/57/97/69/1220579769.db2.gz UCTSXKXCKVUYNK-MJGOQNOKSA-N 2 0 327.472 2.212 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968645154 1221460382 /nfs/dbraw/zinc/46/03/82/1221460382.db2.gz PAWBCYBSQPFQOM-RHSMWYFYSA-N 2 0 346.500 2.183 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674455 1221482696 /nfs/dbraw/zinc/48/26/96/1221482696.db2.gz QZAAQJCNCASOKI-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC000968925416 1221675977 /nfs/dbraw/zinc/67/59/77/1221675977.db2.gz CPTMRGBYMNHDOP-IAGOWNOFSA-N 2 0 330.476 2.382 20 30 EEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100610 1221808045 /nfs/dbraw/zinc/80/80/45/1221808045.db2.gz CFXVTBBDJHRCPU-IBGZPJMESA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cncc2C1 ZINC001017671241 1227621736 /nfs/dbraw/zinc/62/17/36/1227621736.db2.gz OZNUXTLMBWRYFO-YESZJQIVSA-N 2 0 328.460 2.087 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094824 1228727482 /nfs/dbraw/zinc/72/74/82/1228727482.db2.gz NXJXQZKNLWFCIS-ZDUSSCGKSA-N 2 0 349.232 2.047 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154337 1230374889 /nfs/dbraw/zinc/37/48/89/1230374889.db2.gz VHADBARPGTZHPF-RTBURBONSA-N 2 0 333.520 2.156 20 30 EEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174247 1230401020 /nfs/dbraw/zinc/40/10/20/1230401020.db2.gz PTNYMBSUMVZFHC-IEBWSBKVSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255612 1230490643 /nfs/dbraw/zinc/49/06/43/1230490643.db2.gz DFEOSGSETXJVBF-WOJBJXKFSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001039305298 1230518428 /nfs/dbraw/zinc/51/84/28/1230518428.db2.gz GHHLSICZRQIDJX-AYHJJNSGSA-N 2 0 349.519 2.175 20 30 EEEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347342 1231180591 /nfs/dbraw/zinc/18/05/91/1231180591.db2.gz JJTHITRBPLVBIG-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347369 1231181030 /nfs/dbraw/zinc/18/10/30/1231181030.db2.gz KAIMKOUDGQDPTJ-TZIWHRDSSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040875083 1231392972 /nfs/dbraw/zinc/39/29/72/1231392972.db2.gz QYSJNOWHQHVQDE-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844456 1231728240 /nfs/dbraw/zinc/72/82/40/1231728240.db2.gz IUFZHBQEMIEXID-HXUWFJFHSA-N 2 0 327.472 2.472 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845746 1231728697 /nfs/dbraw/zinc/72/86/97/1231728697.db2.gz PKMSCZVFTIHXGY-AZUAARDMSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C/C=C/Cl)CC2)CC1 ZINC001045647001 1233879623 /nfs/dbraw/zinc/87/96/23/1233879623.db2.gz OIGPMAMYKNKCKK-RUDMXATFSA-N 2 0 337.895 2.055 20 30 EEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045953323 1234220816 /nfs/dbraw/zinc/22/08/16/1234220816.db2.gz YEGJBVBXSUYTDB-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960563 1234235121 /nfs/dbraw/zinc/23/51/21/1234235121.db2.gz MPYRLEKGEORYGD-HXUWFJFHSA-N 2 0 343.471 2.293 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001046946511 1235340442 /nfs/dbraw/zinc/34/04/42/1235340442.db2.gz WGYWAJLSDKRXPF-HUUCEWRRSA-N 2 0 329.435 2.120 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257828 1235762785 /nfs/dbraw/zinc/76/27/85/1235762785.db2.gz UWPPXXYRUWCAKG-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047266201 1235779293 /nfs/dbraw/zinc/77/92/93/1235779293.db2.gz SPGBYUXSPCTGQG-FQEVSTJZSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543373 1237924211 /nfs/dbraw/zinc/92/42/11/1237924211.db2.gz VPTISJDEMMATLE-VBUUOAMHSA-N 2 0 336.439 2.330 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574252 1237997708 /nfs/dbraw/zinc/99/77/08/1237997708.db2.gz TZEVJWOZDJJABX-OUUBHVDSSA-N 2 0 343.515 2.386 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887610 1239143014 /nfs/dbraw/zinc/14/30/14/1239143014.db2.gz CZPCELQNVUMAKD-TWMKSMIVSA-N 2 0 337.895 2.146 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000153805 1240003630 /nfs/dbraw/zinc/00/36/30/1240003630.db2.gz LSYWEZMONVKZAN-MJGOQNOKSA-N 2 0 343.515 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001000315742 1240162889 /nfs/dbraw/zinc/16/28/89/1240162889.db2.gz CASPLGLXXBRQBM-FUHWJXTLSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049232759 1240332609 /nfs/dbraw/zinc/33/26/09/1240332609.db2.gz YAGPGNDCBJGDQE-FPCVCCKLSA-N 2 0 325.884 2.002 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073899505 1242761614 /nfs/dbraw/zinc/76/16/14/1242761614.db2.gz VTCFEWLYXUNPOS-LJQANCHMSA-N 2 0 345.487 2.145 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096603854 1242772887 /nfs/dbraw/zinc/77/28/87/1242772887.db2.gz CGLTWNAFAUCMAQ-QYZOEREBSA-N 2 0 325.456 2.107 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001050535100 1243801399 /nfs/dbraw/zinc/80/13/99/1243801399.db2.gz YTPHGUGXRCEHCY-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001050544496 1243817062 /nfs/dbraw/zinc/81/70/62/1243817062.db2.gz KBRGAUNXFPIZSM-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(=C)C)CC2)CC1 ZINC001052959261 1245557898 /nfs/dbraw/zinc/55/78/98/1245557898.db2.gz TTXBIDVRJZKRDM-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028933 1245713244 /nfs/dbraw/zinc/71/32/44/1245713244.db2.gz NZBQARJDOURGSJ-RTBURBONSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)O2 ZINC001053674155 1246626598 /nfs/dbraw/zinc/62/65/98/1246626598.db2.gz JRTFJGLIQLQJKO-QZTJIDSGSA-N 2 0 349.519 2.175 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001052253434 1246776186 /nfs/dbraw/zinc/77/61/86/1246776186.db2.gz DIJZUQZVFNBZFZ-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052551957 1247541631 /nfs/dbraw/zinc/54/16/31/1247541631.db2.gz POWXMGCLFRCKGY-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182327 1247634147 /nfs/dbraw/zinc/63/41/47/1247634147.db2.gz HRXQBIYPERMABK-CTNGQTDRSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054198520 1247689967 /nfs/dbraw/zinc/68/99/67/1247689967.db2.gz YVMMWUUPATXLTK-QAPCUYQASA-N 2 0 339.911 2.395 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001074877959 1257186523 /nfs/dbraw/zinc/18/65/23/1257186523.db2.gz TYLKKVPPZALKRX-BXWFABGCSA-N 2 0 340.471 2.122 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317754 1258079807 /nfs/dbraw/zinc/07/98/07/1258079807.db2.gz ODASEMACJANBKF-RBSFLKMASA-N 2 0 347.425 2.414 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC001100896771 1259407789 /nfs/dbraw/zinc/40/77/89/1259407789.db2.gz JSJHJCMIMRYVSB-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC(C)C)[C@H](C)C2)CC1 ZINC001185729423 1278766792 /nfs/dbraw/zinc/76/67/92/1278766792.db2.gz HRRPVYYJUFYXKY-QUCCMNQESA-N 2 0 347.547 2.452 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001134762603 1278012888 /nfs/dbraw/zinc/01/28/88/1278012888.db2.gz DBLWUFBGXZSMNP-SFHVURJKSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203822805 1283823578 /nfs/dbraw/zinc/82/35/78/1283823578.db2.gz AUTVOPJXQTXPSQ-ROUUACIJSA-N 2 0 331.504 2.293 20 30 EEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198776105 1285355183 /nfs/dbraw/zinc/35/51/83/1285355183.db2.gz MPFBELLXASNIBR-IAGOWNOFSA-N 2 0 333.476 2.358 20 30 EEEDRP CCCCCCCN1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001201762315 1289747622 /nfs/dbraw/zinc/74/76/22/1289747622.db2.gz FQTRZXFSKMKAEG-UHFFFAOYSA-N 2 0 336.480 2.295 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC(=C)C)C2)CC1 ZINC001072095415 1295236276 /nfs/dbraw/zinc/23/62/76/1295236276.db2.gz HXTFNCGUMIEWOY-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001216837715 1297310305 /nfs/dbraw/zinc/31/03/05/1297310305.db2.gz ONOVDKQUWNJULP-ZIFCJYIRSA-N 2 0 331.504 2.123 20 30 EEEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc2c1C(=O)CC1(CC[NH2+]CC1)O2 ZINC001218210920 1297600626 /nfs/dbraw/zinc/60/06/26/1297600626.db2.gz MFUDZBIXFKCPDC-KRWDZBQOSA-N 2 0 328.412 2.071 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001073898998 1297668484 /nfs/dbraw/zinc/66/84/84/1297668484.db2.gz IMQDZWAROZQQGG-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715554 1297775213 /nfs/dbraw/zinc/77/52/13/1297775213.db2.gz JLKVEALKQZBBFY-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463533 1298797150 /nfs/dbraw/zinc/79/71/50/1298797150.db2.gz WZJHTMSHJBMXSQ-AKHDSKFASA-N 2 0 331.504 2.242 20 30 EEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899845 1299472187 /nfs/dbraw/zinc/47/21/87/1299472187.db2.gz YZSWAMKDSHUSCL-DLBZAZTESA-N 2 0 339.524 2.015 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039585 1299960311 /nfs/dbraw/zinc/96/03/11/1299960311.db2.gz LWAQDOLGTHRXAY-AEFFLSMTSA-N 2 0 328.460 2.017 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622565 1303331159 /nfs/dbraw/zinc/33/11/59/1303331159.db2.gz OZDACTPWUZTOPZ-LJQANCHMSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC001230784279 1303455817 /nfs/dbraw/zinc/45/58/17/1303455817.db2.gz ZQGPUIINXDGBLI-SFHVURJKSA-N 2 0 330.476 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2[C@H]3C[N@@H+](CC/C=C\CCC)C[C@@H]23)CC1 ZINC001115289854 1304907256 /nfs/dbraw/zinc/90/72/56/1304907256.db2.gz IIMKGTKGVXLYJM-MCWYWBIJSA-N 2 0 343.515 2.124 20 30 EEEDRP C[NH+]1CCN(c2cccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)n2)CC1 ZINC001240338071 1309308362 /nfs/dbraw/zinc/30/83/62/1309308362.db2.gz IVPDPILVXSKZHD-UHFFFAOYSA-N 2 0 333.439 2.059 20 30 EEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001121968870 1310190895 /nfs/dbraw/zinc/19/08/95/1310190895.db2.gz MSRAYZYJKDKTJS-UHFFFAOYSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246547906 1310336329 /nfs/dbraw/zinc/33/63/29/1310336329.db2.gz GXTWKOCOZZBTGB-RZRMAFQFSA-N 2 0 333.476 2.380 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761380 1316367380 /nfs/dbraw/zinc/36/73/80/1316367380.db2.gz NGIFLJJPINIOMV-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480706 1317153715 /nfs/dbraw/zinc/15/37/15/1317153715.db2.gz FIYKTSRATHXBBF-QGZVFWFLSA-N 2 0 329.488 2.254 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254964622 1318240742 /nfs/dbraw/zinc/24/07/42/1318240742.db2.gz RPMUDYOKQAOYRT-BWTSREIZSA-N 2 0 331.504 2.036 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001157887429 1318917591 /nfs/dbraw/zinc/91/75/91/1318917591.db2.gz VLNFUKPACKUBAA-MRXNPFEDSA-N 2 0 334.489 2.088 20 30 EEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001158212397 1319083587 /nfs/dbraw/zinc/08/35/87/1319083587.db2.gz OQHHOXCCXICDEV-QGZVFWFLSA-N 2 0 339.443 2.380 20 30 EEEDRP N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159788138 1319991074 /nfs/dbraw/zinc/99/10/74/1319991074.db2.gz HZZSQYABZCOTOS-LBPRGKRZSA-N 2 0 325.750 2.474 20 30 EEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160292030 1320124850 /nfs/dbraw/zinc/12/48/50/1320124850.db2.gz KVXCPNHLHQOXLA-KRWDZBQOSA-N 2 0 325.472 2.381 20 30 EEEDRP C#CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559941 1320197613 /nfs/dbraw/zinc/19/76/13/1320197613.db2.gz TYXSARUSSRFCPL-UHFFFAOYSA-N 2 0 331.504 2.411 20 30 EEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001160997378 1320348510 /nfs/dbraw/zinc/34/85/10/1320348510.db2.gz PMPFHAJALLNSQH-LJQANCHMSA-N 2 0 349.519 2.200 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383275 1320482453 /nfs/dbraw/zinc/48/24/53/1320482453.db2.gz OUJFOQHXIXMQAR-GOSISDBHSA-N 2 0 331.504 2.413 20 30 EEEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161397437 1320487605 /nfs/dbraw/zinc/48/76/05/1320487605.db2.gz WHHZBUXVGOUNPO-SOAMZJECSA-N 2 0 327.472 2.497 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001163126069 1321044074 /nfs/dbraw/zinc/04/40/74/1321044074.db2.gz PLAMONJKTSZNLC-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP CC(C)(C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N)[NH+]1CCCC1 ZINC001163833308 1321229172 /nfs/dbraw/zinc/22/91/72/1321229172.db2.gz MBFKJLOOVDMLHT-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](CC)CC ZINC001166424591 1321717188 /nfs/dbraw/zinc/71/71/88/1321717188.db2.gz KPXBMKPQCZKLSO-SFHVURJKSA-N 2 0 348.466 2.414 20 30 EEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205334306 1322352642 /nfs/dbraw/zinc/35/26/42/1322352642.db2.gz JWDYGGCPGZADNT-JKSUJKDBSA-N 2 0 327.900 2.297 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001263094597 1322432451 /nfs/dbraw/zinc/43/24/51/1322432451.db2.gz LVKWXYREWYUYGH-IBGZPJMESA-N 2 0 329.488 2.493 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001205759090 1323287922 /nfs/dbraw/zinc/28/79/22/1323287922.db2.gz IPMCFRVELCWPCA-UHFFFAOYSA-N 2 0 329.488 2.419 20 30 EEEDRP C=CCc1cccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001276684720 1325297567 /nfs/dbraw/zinc/29/75/67/1325297567.db2.gz KXXGIYPEHGLOTO-PKOBYXMFSA-N 2 0 329.488 2.188 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636388 1338483957 /nfs/dbraw/zinc/48/39/57/1338483957.db2.gz ZFEVPKPHDARHKR-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200722384 1338550280 /nfs/dbraw/zinc/55/02/80/1338550280.db2.gz WJKQWAZPKSMFRM-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001574925003 1343712710 /nfs/dbraw/zinc/71/27/10/1343712710.db2.gz FATVYYNHIFIUGR-SJORKVTESA-N 2 0 344.507 2.342 20 30 EEEDRP C=CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@H](C)[NH+](CC)CC ZINC001574924987 1343712748 /nfs/dbraw/zinc/71/27/48/1343712748.db2.gz DLGAZWAQMJFVLY-HNNXBMFYSA-N 2 0 334.512 2.098 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147995 1368880841 /nfs/dbraw/zinc/88/08/41/1368880841.db2.gz PDIGFYVMTXCEES-GOSISDBHSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148469 1368881250 /nfs/dbraw/zinc/88/12/50/1368881250.db2.gz VPMZPJCOVUNQAR-ZWKOTPCHSA-N 2 0 337.508 2.034 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367058812 1374090731 /nfs/dbraw/zinc/09/07/31/1374090731.db2.gz AUCMYGNKGVREGW-MOPGFXCFSA-N 2 0 342.487 2.177 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001367360515 1374154032 /nfs/dbraw/zinc/15/40/32/1374154032.db2.gz WDYLVORNETWMNE-KDOFPFPSSA-N 2 0 348.466 2.220 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001376568484 1378601058 /nfs/dbraw/zinc/60/10/58/1378601058.db2.gz DATNSSIJFDMILE-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001376606844 1378625679 /nfs/dbraw/zinc/62/56/79/1378625679.db2.gz DURNWEZNKOZVMS-IBGZPJMESA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394042 1379200694 /nfs/dbraw/zinc/20/06/94/1379200694.db2.gz YCRUYBHRPCEGFH-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3ccc(C#N)s3)CCCC2)C1 ZINC001378381057 1379901458 /nfs/dbraw/zinc/90/14/58/1379901458.db2.gz FRTBUXDOOQWCDX-AWEZNQCLSA-N 2 0 346.500 2.090 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001390698749 1388737069 /nfs/dbraw/zinc/73/70/69/1388737069.db2.gz IWXKAWDAYBNYSQ-RDTXWAMCSA-N 2 0 348.466 2.268 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C[C@H](C)CC)CC2)CC1 ZINC001752855416 1406491416 /nfs/dbraw/zinc/49/14/16/1406491416.db2.gz WIPGKVKFGLGGDX-IPJUCJBFSA-N 2 0 333.520 2.395 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001399123198 1394723430 /nfs/dbraw/zinc/72/34/30/1394723430.db2.gz ZNRZVPMAPQDQAE-OAHLLOKOSA-N 2 0 346.450 2.024 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001753232446 1406722022 /nfs/dbraw/zinc/72/20/22/1406722022.db2.gz VMKGRQZPDKITJE-INIZCTEOSA-N 2 0 347.890 2.081 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001753749326 1406772248 /nfs/dbraw/zinc/77/22/48/1406772248.db2.gz IAUAHMBCAFKDQB-RBUKOAKNSA-N 2 0 333.520 2.395 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)s2)C1 ZINC001400228538 1396076691 /nfs/dbraw/zinc/07/66/91/1396076691.db2.gz MSZSXPWXYIZWGC-OAHLLOKOSA-N 2 0 348.516 2.242 20 30 EEEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401157664 1396992503 /nfs/dbraw/zinc/99/25/03/1396992503.db2.gz VDPAMUMUMPPKQI-HNNXBMFYSA-N 2 0 348.516 2.338 20 30 EEEDRP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC=C)CC1 ZINC001754638956 1406937515 /nfs/dbraw/zinc/93/75/15/1406937515.db2.gz QFKUTNXHOSHCIR-SFHVURJKSA-N 2 0 331.504 2.363 20 30 EEEDRP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755721507 1407780855 /nfs/dbraw/zinc/78/08/55/1407780855.db2.gz BOGCSZSAFOEIEX-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001075410487 759376341 /nfs/dbraw/zinc/37/63/41/759376341.db2.gz CODAWNQOIOWLBA-AZUAARDMSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001075453894 760706330 /nfs/dbraw/zinc/70/63/30/760706330.db2.gz FRWVYPGOYNJFPR-SFHVURJKSA-N 2 0 345.531 2.445 20 30 EEEDRP C[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)[NH+]1CCCCCC1 ZINC001167608748 760722629 /nfs/dbraw/zinc/72/26/29/760722629.db2.gz HTYVPKVSHVSFII-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211611552 761103608 /nfs/dbraw/zinc/10/36/08/761103608.db2.gz ZDWHTJHRCKMQNG-IPMKNSEASA-N 2 0 347.478 2.437 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001112518634 761272528 /nfs/dbraw/zinc/27/25/28/761272528.db2.gz UQEYKVKQJZGBDD-PXNSSMCTSA-N 2 0 343.471 2.196 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519141 761288241 /nfs/dbraw/zinc/28/82/41/761288241.db2.gz WEJZZHGOVYALKG-RDJZCZTQSA-N 2 0 327.900 2.299 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530370 782631242 /nfs/dbraw/zinc/63/12/42/782631242.db2.gz RAXDAZQCTSBAAF-XLIONFOSSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089417180 768920181 /nfs/dbraw/zinc/92/01/81/768920181.db2.gz VZRKLCOLPVEZLG-QGZVFWFLSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540195 770170989 /nfs/dbraw/zinc/17/09/89/770170989.db2.gz SHBZQFCMFZLMPZ-MRXNPFEDSA-N 2 0 342.487 2.391 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216943 774128171 /nfs/dbraw/zinc/12/81/71/774128171.db2.gz SMISBXCXHQJBCP-KSZLIROESA-N 2 0 331.504 2.265 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC[NH+](C)CC1 ZINC001089870021 783166797 /nfs/dbraw/zinc/16/67/97/783166797.db2.gz PLKUETWDIFKYMO-NMLBUPMWSA-N 2 0 345.531 2.463 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163811 779183167 /nfs/dbraw/zinc/18/31/67/779183167.db2.gz VEOQKFWHGJCMGP-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306263 779659181 /nfs/dbraw/zinc/65/91/81/779659181.db2.gz OSIWPRPLCFVPRD-UKAVVXHISA-N 2 0 343.515 2.197 20 30 EEEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236892833 779964655 /nfs/dbraw/zinc/96/46/55/779964655.db2.gz OFNPNUXYBNHKGN-IAGOWNOFSA-N 2 0 330.476 2.093 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793781 781609526 /nfs/dbraw/zinc/60/95/26/781609526.db2.gz QWUBTHGQAYPRQV-NLWGTHIKSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135314910 783598131 /nfs/dbraw/zinc/59/81/31/783598131.db2.gz ISBKZAMCJCHSOV-SJORKVTESA-N 2 0 347.478 2.392 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001135314909 783598477 /nfs/dbraw/zinc/59/84/77/783598477.db2.gz ISBKZAMCJCHSOV-IRXDYDNUSA-N 2 0 347.478 2.392 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+](C)C ZINC001135317365 783601849 /nfs/dbraw/zinc/60/18/49/783601849.db2.gz YCSYLELKTWZYLL-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089893941 783782489 /nfs/dbraw/zinc/78/24/89/783782489.db2.gz QCYQNAOITAAUEY-OKYOBFRVSA-N 2 0 343.515 2.217 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860365 784647968 /nfs/dbraw/zinc/64/79/68/784647968.db2.gz ATFMZLRKFOBWAA-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135922927 784802240 /nfs/dbraw/zinc/80/22/40/784802240.db2.gz DHGZRROXJZIVIU-IRXDYDNUSA-N 2 0 327.513 2.184 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170871683 784815576 /nfs/dbraw/zinc/81/55/76/784815576.db2.gz QUYYPBLVHRBYRM-FGTMMUONSA-N 2 0 339.524 2.184 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705515 784986528 /nfs/dbraw/zinc/98/65/28/784986528.db2.gz DYWGJIQIRTVVEB-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035834822 785255651 /nfs/dbraw/zinc/25/56/51/785255651.db2.gz HMHBJBIEOKRIDJ-UHFFFAOYSA-N 2 0 328.460 2.262 20 30 EEEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000996787438 787568353 /nfs/dbraw/zinc/56/83/53/787568353.db2.gz YUYLKXGNSJKWIW-UHFFFAOYSA-N 2 0 325.416 2.038 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285488 789497026 /nfs/dbraw/zinc/49/70/26/789497026.db2.gz ZGGKIYWHPSRUMZ-UXLLHSPISA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997828233 791242934 /nfs/dbraw/zinc/24/29/34/791242934.db2.gz GZZDOGIKUFPWOL-PKOBYXMFSA-N 2 0 333.520 2.491 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001147824711 791983208 /nfs/dbraw/zinc/98/32/08/791983208.db2.gz MTABBNDXWFVZTK-MJGOQNOKSA-N 2 0 345.462 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)CC1 ZINC001089059913 792023471 /nfs/dbraw/zinc/02/34/71/792023471.db2.gz IIDIAZHYYNLWJD-XLIONFOSSA-N 2 0 343.515 2.411 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737959 792598793 /nfs/dbraw/zinc/59/87/93/792598793.db2.gz SOEVXWAISVLQEL-GGPKGHCWSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947260 793049175 /nfs/dbraw/zinc/04/91/75/793049175.db2.gz SOLBEDUSQOQGNO-GOSISDBHSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804635 793276604 /nfs/dbraw/zinc/27/66/04/793276604.db2.gz OZFSVEJWFMEQHH-UZLBHIALSA-N 2 0 331.504 2.053 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091880029 793340927 /nfs/dbraw/zinc/34/09/27/793340927.db2.gz XGPNQWZVAQFJJO-GGPKGHCWSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014903 793508314 /nfs/dbraw/zinc/50/83/14/793508314.db2.gz GPUHMFFJOLRGHA-XLIONFOSSA-N 2 0 333.520 2.465 20 30 EEEDRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998995726 793648439 /nfs/dbraw/zinc/64/84/39/793648439.db2.gz UDQBYYKJIGCXRH-ACBHZAAOSA-N 2 0 340.471 2.122 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303157 793778861 /nfs/dbraw/zinc/77/88/61/793778861.db2.gz VUYBJYDUQGPSIR-SBHAEUEKSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999443836 794473376 /nfs/dbraw/zinc/47/33/76/794473376.db2.gz UZGMLDMIVKHBFB-GMNCBBECSA-N 2 0 327.472 2.097 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)CC1 ZINC000999869020 795063634 /nfs/dbraw/zinc/06/36/34/795063634.db2.gz CDLVHWFIRWJIEU-UHFFFAOYSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574586 795863463 /nfs/dbraw/zinc/86/34/63/795863463.db2.gz KZPQIMWINZZFJP-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308819 796950795 /nfs/dbraw/zinc/95/07/95/796950795.db2.gz ZZHLIUMQHILTGJ-INIZCTEOSA-N 2 0 331.460 2.306 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082853764 797724396 /nfs/dbraw/zinc/72/43/96/797724396.db2.gz VHTQZAHRCOLLEV-YVWKXTFCSA-N 2 0 329.488 2.476 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346580 798160014 /nfs/dbraw/zinc/16/00/14/798160014.db2.gz QWYOJRZONMSLJR-ZHALLVOQSA-N 2 0 331.504 2.360 20 30 EEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089391417 798330433 /nfs/dbraw/zinc/33/04/33/798330433.db2.gz LTYZGOYFADGMPC-FGTMMUONSA-N 2 0 333.520 2.347 20 30 EEEDRP N#Cc1ccc(F)c(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001176884443 798612912 /nfs/dbraw/zinc/61/29/12/798612912.db2.gz HWTLVTYEABRVBW-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049466 798638632 /nfs/dbraw/zinc/63/86/32/798638632.db2.gz BZWAJLARJXUWDE-QRVBRYPASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177415594 798933150 /nfs/dbraw/zinc/93/31/50/798933150.db2.gz DZXHZDVQHIWODT-GOSISDBHSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001177467050 798952257 /nfs/dbraw/zinc/95/22/57/798952257.db2.gz ROBIVXNGMXPDAC-LJQANCHMSA-N 2 0 333.520 2.350 20 30 EEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212495284 799150768 /nfs/dbraw/zinc/15/07/68/799150768.db2.gz BGAHLLYAXIPGJT-QZTJIDSGSA-N 2 0 342.443 2.038 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C)[NH+](C)C ZINC001179550252 799987569 /nfs/dbraw/zinc/98/75/69/799987569.db2.gz UEWYVQXBVIEKBW-SNRMKQJTSA-N 2 0 345.462 2.096 20 30 EEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001179620366 800026058 /nfs/dbraw/zinc/02/60/58/800026058.db2.gz MEGAGDKSFKRAJC-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001181476997 800813029 /nfs/dbraw/zinc/81/30/29/800813029.db2.gz PVOAJFJXFYEMFW-YLJYHZDGSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC[C@@H]2C1 ZINC000946598106 801788738 /nfs/dbraw/zinc/78/87/38/801788738.db2.gz XUBSQDWYUPXWOD-CALCHBBNSA-N 2 0 342.487 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184724410 802160568 /nfs/dbraw/zinc/16/05/68/802160568.db2.gz MTKJCMAJQQTITO-GDBMZVCRSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001184787322 802187774 /nfs/dbraw/zinc/18/77/74/802187774.db2.gz AYXYSPVLNBNRHH-CVEARBPZSA-N 2 0 339.443 2.141 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004538794 802323691 /nfs/dbraw/zinc/32/36/91/802323691.db2.gz ABDZOSKAMZLZKX-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662639 802723611 /nfs/dbraw/zinc/72/36/11/802723611.db2.gz FSZVUHWUAZJLJX-HDICACEKSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484607 803081297 /nfs/dbraw/zinc/08/12/97/803081297.db2.gz GEVCNAMCZIXAFB-OWYHZJEWSA-N 2 0 327.472 2.002 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419766 803510900 /nfs/dbraw/zinc/51/09/00/803510900.db2.gz QRFUWGIUTBADPU-LJQANCHMSA-N 2 0 337.508 2.036 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108733451 804419237 /nfs/dbraw/zinc/41/92/37/804419237.db2.gz PSRBCTAJZFTYLW-OTWHNJEPSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCCCCC)CC2)CC1 ZINC001113682522 809541055 /nfs/dbraw/zinc/54/10/55/809541055.db2.gz GBPJRBPJLAEYIK-UHFFFAOYSA-N 2 0 333.520 2.446 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001441932608 1096123302 /nfs/dbraw/zinc/12/33/02/1096123302.db2.gz PJAMBCBYOILQGM-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1C#N ZINC001442401893 1096723164 /nfs/dbraw/zinc/72/31/64/1096723164.db2.gz PCIUOTTZFOIVTG-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001442857332 1097250514 /nfs/dbraw/zinc/25/05/14/1097250514.db2.gz AAVSDHLLEANWMZ-CQSZACIVSA-N 2 0 346.500 2.042 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001444978681 1100105561 /nfs/dbraw/zinc/10/55/61/1100105561.db2.gz FKZQPWQVPRKNIE-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cc(C#N)ccc2F)CCC1 ZINC001447250600 1102297677 /nfs/dbraw/zinc/29/76/77/1102297677.db2.gz OAHDMSQWLVWLOO-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Br)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001447339900 1102477956 /nfs/dbraw/zinc/47/79/56/1102477956.db2.gz IWLBUHZLFBOSGY-CQSZACIVSA-N 2 0 346.313 2.160 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C ZINC001499852064 1112513125 /nfs/dbraw/zinc/51/31/25/1112513125.db2.gz CYCPNTULRYDKIT-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000491486928 533163737 /nfs/dbraw/zinc/16/37/37/533163737.db2.gz ZGPPMUDVYCWOHI-LJQANCHMSA-N 2 0 327.472 2.018 20 30 EEEDRP C[C@@H]([NH2+]C1(C[NH+]=C(N(C)C)N(C)C)CCOCC1)c1ccccc1 ZINC000097012226 287009359 /nfs/dbraw/zinc/00/93/59/287009359.db2.gz JMMTYJGYBHULQS-MRXNPFEDSA-N 2 0 332.492 2.366 20 30 EEEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccn1 ZINC000421346484 270019956 /nfs/dbraw/zinc/01/99/56/270019956.db2.gz TUAKRKFQKBLUBW-UHFFFAOYSA-N 2 0 328.391 2.323 20 30 EEEDRP C[NH+](C)CCN(C(=O)Nc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000330453009 266496680 /nfs/dbraw/zinc/49/66/80/266496680.db2.gz LIEROEINRBUGRY-UHFFFAOYSA-N 2 0 329.448 2.062 20 30 EEEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530231608 267007489 /nfs/dbraw/zinc/00/74/89/267007489.db2.gz RGHUTBXWGQNPKP-GOSISDBHSA-N 2 0 331.460 2.152 20 30 EEEDRP C[C@H](CNc1cc(NC[C@H](C)[NH+](C)C)c(C#N)cc1[N+](=O)[O-])[NH+](C)C ZINC000288638701 267162545 /nfs/dbraw/zinc/16/25/45/267162545.db2.gz YZPYYHOSUGQPLH-QWHCGFSZSA-N 2 0 348.451 2.190 20 30 EEEDRP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1 ZINC000047740135 462819305 /nfs/dbraw/zinc/81/93/05/462819305.db2.gz VJODYPDODRCMKM-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000066725632 462924762 /nfs/dbraw/zinc/92/47/62/462924762.db2.gz YMRHMKDNBVXAGX-UHFFFAOYSA-N 2 0 341.499 2.442 20 30 EEEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123396322 463338720 /nfs/dbraw/zinc/33/87/20/463338720.db2.gz UAJDDMNHIRUAGC-QFBILLFUSA-N 2 0 336.524 2.483 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000151362553 463518218 /nfs/dbraw/zinc/51/82/18/463518218.db2.gz QDHLNAOHKWTQFN-UHFFFAOYSA-N 2 0 343.471 2.219 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000171742021 463918185 /nfs/dbraw/zinc/91/81/85/463918185.db2.gz ODKPMRQETTVVLR-GOSISDBHSA-N 2 0 334.508 2.297 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000187268724 464111820 /nfs/dbraw/zinc/11/18/20/464111820.db2.gz BVTVMKUUQPCESA-LPHOPBHVSA-N 2 0 327.472 2.139 20 30 EEEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293712047 464418246 /nfs/dbraw/zinc/41/82/46/464418246.db2.gz DYJBWBOEAGAZPP-QZTJIDSGSA-N 2 0 342.487 2.441 20 30 EEEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285023305 464429071 /nfs/dbraw/zinc/42/90/71/464429071.db2.gz HDOOJNAOFPOIDI-FMJMRLDVSA-N 2 0 340.471 2.292 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)F ZINC000276325345 464890456 /nfs/dbraw/zinc/89/04/56/464890456.db2.gz DYJXEGQTKJBFSP-CQSZACIVSA-N 2 0 340.418 2.219 20 30 EEEDRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccc1C#N ZINC000353043330 465597970 /nfs/dbraw/zinc/59/79/70/465597970.db2.gz CCMPTFLYORDQKA-YQQQUEKLSA-N 2 0 340.471 2.040 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)C(C)C ZINC000344278305 465601322 /nfs/dbraw/zinc/60/13/22/465601322.db2.gz FVAFZHUYASELPD-RCCFBDPRSA-N 2 0 336.524 2.467 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(OC)c1 ZINC000349065111 465946643 /nfs/dbraw/zinc/94/66/43/465946643.db2.gz XNCBQQHRYNDUHC-IBGZPJMESA-N 2 0 344.503 2.415 20 30 EEEDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000367199516 466186606 /nfs/dbraw/zinc/18/66/06/466186606.db2.gz KQMCGBSYYIUETH-UHFFFAOYSA-N 2 0 326.444 2.305 20 30 EEEDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(OCC#N)cc1 ZINC000362031596 466498801 /nfs/dbraw/zinc/49/88/01/466498801.db2.gz CDZDNXVDLNHFAS-SJLPKXTDSA-N 2 0 342.487 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000374000145 466995119 /nfs/dbraw/zinc/99/51/19/466995119.db2.gz BMDHULJLUMDGRW-LJQANCHMSA-N 2 0 345.531 2.302 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000424193610 467000636 /nfs/dbraw/zinc/00/06/36/467000636.db2.gz QYBFTJIOZIFQBN-IBGZPJMESA-N 2 0 342.487 2.175 20 30 EEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000517044002 468068761 /nfs/dbraw/zinc/06/87/61/468068761.db2.gz GNBSZMLICGBLJI-KRWDZBQOSA-N 2 0 331.460 2.150 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000576340413 468163690 /nfs/dbraw/zinc/16/36/90/468163690.db2.gz YARCCQFHIVKBRP-GOSISDBHSA-N 2 0 345.487 2.204 20 30 EEEDRP C[C@H](CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[NH+]1CCCCC1 ZINC000591760399 468516251 /nfs/dbraw/zinc/51/62/51/468516251.db2.gz AFBOMAZVAIWZMX-MJGOQNOKSA-N 2 0 345.487 2.346 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000584108679 468800390 /nfs/dbraw/zinc/80/03/90/468800390.db2.gz NUHRSHAGRRJDFX-RYQLBKOJSA-N 2 0 348.487 2.236 20 30 EEEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)CCC#N ZINC000599657316 469327539 /nfs/dbraw/zinc/32/75/39/469327539.db2.gz FOGKZCKDZBERMM-MRXNPFEDSA-N 2 0 330.476 2.331 20 30 EEEDRP C=CC[C@@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]1 ZINC000662685248 472204866 /nfs/dbraw/zinc/20/48/66/472204866.db2.gz RAMQUFCAGJWKLZ-SFHVURJKSA-N 2 0 337.533 2.163 20 30 EEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000728711697 576520475 /nfs/dbraw/zinc/52/04/75/576520475.db2.gz NYFQQVKZHXEJAD-QGZVFWFLSA-N 2 0 330.476 2.095 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCC2)CC1 ZINC000969155491 674643064 /nfs/dbraw/zinc/64/30/64/674643064.db2.gz ACKNSHPDCPVSKO-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020464008 674844511 /nfs/dbraw/zinc/84/45/11/674844511.db2.gz TXIAQOQSNYMQCF-JOCQHMNTSA-N 2 0 344.297 2.006 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970795791 676156516 /nfs/dbraw/zinc/15/65/16/676156516.db2.gz GQQLRBOFXUBTLY-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021091094 675716820 /nfs/dbraw/zinc/71/68/20/675716820.db2.gz RROWFXATDLQRGK-AJNGGQMLSA-N 2 0 346.500 2.229 20 30 EEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970427374 675876923 /nfs/dbraw/zinc/87/69/23/675876923.db2.gz FWLJDJUBBJRZCM-MRXNPFEDSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249891 676266458 /nfs/dbraw/zinc/26/64/58/676266458.db2.gz FNYIMBURIWYHRI-MOPGFXCFSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972409431 678699261 /nfs/dbraw/zinc/69/92/61/678699261.db2.gz OKACXFLGCYUCSC-ICSRJNTNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000972583497 679354101 /nfs/dbraw/zinc/35/41/01/679354101.db2.gz WBTGQQHYEHGAAJ-UYAOXDASSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588581 679397372 /nfs/dbraw/zinc/39/73/72/679397372.db2.gz FEMSJNOYKGBWRG-LJQANCHMSA-N 2 0 341.499 2.256 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982642592 681950843 /nfs/dbraw/zinc/95/08/43/681950843.db2.gz RRIHLZPJMNUALH-UKAVVXHISA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC000992703018 683280855 /nfs/dbraw/zinc/28/08/55/683280855.db2.gz OMZGKNYSPYTWGS-BHYGNILZSA-N 2 0 345.512 2.273 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001026284066 684191541 /nfs/dbraw/zinc/19/15/41/684191541.db2.gz OQFATRHIOHEPPZ-RRFJBIMHSA-N 2 0 325.884 2.050 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]12 ZINC001026429219 684633928 /nfs/dbraw/zinc/63/39/28/684633928.db2.gz UBXNQKOIBZMGPC-KBAYOESNSA-N 2 0 343.471 2.195 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000974683007 685231180 /nfs/dbraw/zinc/23/11/80/685231180.db2.gz AOFCINXBCHMMEJ-DLBZAZTESA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)CC1 ZINC001029596158 686462513 /nfs/dbraw/zinc/46/25/13/686462513.db2.gz BRLUWIMXLDQFFI-BGYRXZFFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000985492045 687029579 /nfs/dbraw/zinc/02/95/79/687029579.db2.gz KKTGCSSITXRXBN-LJQANCHMSA-N 2 0 342.487 2.321 20 30 EEEDRP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262793210 688478351 /nfs/dbraw/zinc/47/83/51/688478351.db2.gz OVJBTYSRGORIST-QGZVFWFLSA-N 2 0 336.524 2.065 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989663839 692148362 /nfs/dbraw/zinc/14/83/62/692148362.db2.gz CAOVQTXWEXKFLI-PBHICJAKSA-N 2 0 339.911 2.440 20 30 EEEDRP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001105446497 1187198900 /nfs/dbraw/zinc/19/89/00/1187198900.db2.gz MNAZBRSMWYHERJ-TYKWCNGQSA-N 2 0 341.499 2.158 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752832783 1187615112 /nfs/dbraw/zinc/61/51/12/1187615112.db2.gz JLRIUYMJEYHLCD-RBUKOAKNSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563924 1188179937 /nfs/dbraw/zinc/17/99/37/1188179937.db2.gz UCKNCYXCHYWJJP-RBUKOAKNSA-N 2 0 345.531 2.493 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001168321159 1188290846 /nfs/dbraw/zinc/29/08/46/1188290846.db2.gz ZVFKRKSSRLECBB-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030171 1194337093 /nfs/dbraw/zinc/33/70/93/1194337093.db2.gz MAJGJTBFXLYCAP-FQEVSTJZSA-N 2 0 325.456 2.162 20 30 EEEDRP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101069 1194383125 /nfs/dbraw/zinc/38/31/25/1194383125.db2.gz MYFOFDHZSONNSP-FQEVSTJZSA-N 2 0 347.503 2.136 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001034046986 1195699248 /nfs/dbraw/zinc/69/92/48/1195699248.db2.gz WYBOXENXYYYJAW-QZTJIDSGSA-N 2 0 337.483 2.003 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001034612012 1196435157 /nfs/dbraw/zinc/43/51/57/1196435157.db2.gz OGQNTGBIGWLISA-ZQIUZPCESA-N 2 0 346.500 2.231 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]1C ZINC001410853997 1198505361 /nfs/dbraw/zinc/50/53/61/1198505361.db2.gz LAYMPZCBFGJBOI-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132142165 1199375823 /nfs/dbraw/zinc/37/58/23/1199375823.db2.gz YVUGPWNEGLECNI-SJORKVTESA-N 2 0 330.476 2.453 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001134758965 1199795384 /nfs/dbraw/zinc/79/53/84/1199795384.db2.gz DBEOACVESSCDNM-LJQANCHMSA-N 2 0 345.462 2.146 20 30 EEEDRP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747659 1200072368 /nfs/dbraw/zinc/07/23/68/1200072368.db2.gz WLBVWUBSGVSTMP-KRWDZBQOSA-N 2 0 342.487 2.189 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001133016005 1200314685 /nfs/dbraw/zinc/31/46/85/1200314685.db2.gz KKZVODQDNSBOGI-PKOBYXMFSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133404042 1200866139 /nfs/dbraw/zinc/86/61/39/1200866139.db2.gz VRDPHKXLTGWMOE-UHFFFAOYSA-N 2 0 335.879 2.233 20 30 EEEDRP C[NH2+][C@@H](CC(C)C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000884389216 1202308260 /nfs/dbraw/zinc/30/82/60/1202308260.db2.gz REDYKMUYIDIOMO-IBGZPJMESA-N 2 0 342.487 2.273 20 30 EEEDRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cncc(C#N)c3)(C1)CCC2 ZINC001275027365 1205236036 /nfs/dbraw/zinc/23/60/36/1205236036.db2.gz JBMCXVXDGRMUQS-MOPGFXCFSA-N 2 0 344.459 2.098 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001276090895 1205774983 /nfs/dbraw/zinc/77/49/83/1205774983.db2.gz HKTUXFQEQJRWBX-PMACEKPBSA-N 2 0 329.488 2.462 20 30 EEEDRP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948985470 1209490081 /nfs/dbraw/zinc/49/00/81/1209490081.db2.gz DZOJSGMJQDKHMQ-HKUYNNGSSA-N 2 0 327.472 2.230 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603434 1215248291 /nfs/dbraw/zinc/24/82/91/1215248291.db2.gz SDPCVGYLYOKEMR-ROUUACIJSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC000957776270 1215421756 /nfs/dbraw/zinc/42/17/56/1215421756.db2.gz BABXJKNVBIUJAL-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961275014 1217122948 /nfs/dbraw/zinc/12/29/48/1217122948.db2.gz SWKSMDMZSQAFTP-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961369503 1217161456 /nfs/dbraw/zinc/16/14/56/1217161456.db2.gz YKZGYAKIFMSGKT-UXHICEINSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961391728 1217171826 /nfs/dbraw/zinc/17/18/26/1217171826.db2.gz KLUCJOWJUIVLJK-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000964292728 1218283863 /nfs/dbraw/zinc/28/38/63/1218283863.db2.gz IMRRSMMOMWCHMH-UHFFFAOYSA-N 2 0 337.427 2.084 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CC(C)C)CC2)CC1 ZINC000964436485 1218363501 /nfs/dbraw/zinc/36/35/01/1218363501.db2.gz IEKLLOLABDSDRD-UHFFFAOYSA-N 2 0 333.520 2.347 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887678 1221646868 /nfs/dbraw/zinc/64/68/68/1221646868.db2.gz JSQDRQPNIOILJI-OALUTQOASA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664405 1226749737 /nfs/dbraw/zinc/74/97/37/1226749737.db2.gz XBXOETSWBGAXTG-ROUUACIJSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862286 1226928886 /nfs/dbraw/zinc/92/88/86/1226928886.db2.gz VNRVQVQZDHXBBA-ROUUACIJSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017943717 1227901375 /nfs/dbraw/zinc/90/13/75/1227901375.db2.gz GMJPNTVRZQQMCV-JTDSTZFVSA-N 2 0 337.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001019813584 1229360065 /nfs/dbraw/zinc/36/00/65/1229360065.db2.gz HRXYBZKOMIXANI-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167133 1230390024 /nfs/dbraw/zinc/39/00/24/1230390024.db2.gz MSCDXNYHHANHGF-HXUWFJFHSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167607 1230390815 /nfs/dbraw/zinc/39/08/15/1230390815.db2.gz YHQQZSNVHXJPGN-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039223872 1230455339 /nfs/dbraw/zinc/45/53/39/1230455339.db2.gz BJWORGBGQFYGGR-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039313881 1230522090 /nfs/dbraw/zinc/52/20/90/1230522090.db2.gz VOOPUYXLEGIJRV-IPQPSQTFSA-N 2 0 331.504 2.242 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286317 1231495344 /nfs/dbraw/zinc/49/53/44/1231495344.db2.gz JQRSWMVMIWCVRJ-FQEVSTJZSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357143 1231518124 /nfs/dbraw/zinc/51/81/24/1231518124.db2.gz FCMKUJHPXHMETG-FPOVZHCZSA-N 2 0 343.515 2.341 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041505620 1231571138 /nfs/dbraw/zinc/57/11/38/1231571138.db2.gz LBBSQIWPDKWZHN-UYAOXDASSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C/C=C/Cl)C3)C2)CC1 ZINC001041844555 1231728396 /nfs/dbraw/zinc/72/83/96/1231728396.db2.gz KZWFFBCNYZRATF-DPAQFELZSA-N 2 0 349.906 2.009 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042376399 1232054554 /nfs/dbraw/zinc/05/45/54/1232054554.db2.gz RJQMDCMTSLGCDG-WMZOPIPTSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCC(C)C)CC2)CC1 ZINC001045646591 1233880091 /nfs/dbraw/zinc/88/00/91/1233880091.db2.gz JYXXZTXWPYIRJR-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663320 1233893214 /nfs/dbraw/zinc/89/32/14/1233893214.db2.gz LTXIATJAHDJEMY-ROUUACIJSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/Cl)CC1 ZINC001045895833 1234127826 /nfs/dbraw/zinc/12/78/26/1234127826.db2.gz PNQNBOWPAPQOQP-DLHNCCSSSA-N 2 0 349.906 2.149 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618248 1235001254 /nfs/dbraw/zinc/00/12/54/1235001254.db2.gz CSTHBXYFISRGNW-HXUWFJFHSA-N 2 0 327.472 2.008 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583594 1238023676 /nfs/dbraw/zinc/02/36/76/1238023676.db2.gz MULKCAPGWNGOML-SWBPCFCJSA-N 2 0 345.531 2.489 20 30 EEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049060024 1239890160 /nfs/dbraw/zinc/89/01/60/1239890160.db2.gz LRRAKLSGPWMFOI-FCEWJHQRSA-N 2 0 337.483 2.165 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC001000221220 1240074673 /nfs/dbraw/zinc/07/46/73/1240074673.db2.gz XKDXSQRLWYMINS-MSOLQXFVSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477926 1241072641 /nfs/dbraw/zinc/07/26/41/1241072641.db2.gz KLVLWUAEKJYOFO-MSOLQXFVSA-N 2 0 331.504 2.340 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001000995474 1241404213 /nfs/dbraw/zinc/40/42/13/1241404213.db2.gz YMTGPSCQXWZCFJ-LJQANCHMSA-N 2 0 331.504 2.102 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050518605 1243771086 /nfs/dbraw/zinc/77/10/86/1243771086.db2.gz GEXRIANTGDELMG-UHFFFAOYSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953667 1245545566 /nfs/dbraw/zinc/54/55/66/1245545566.db2.gz FLOCPWUAXXSESY-LJQANCHMSA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257223 1245581933 /nfs/dbraw/zinc/58/19/33/1245581933.db2.gz LBWMODYKAKBJDI-NUJGCVRESA-N 2 0 325.472 2.023 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129268 1247471454 /nfs/dbraw/zinc/47/14/54/1247471454.db2.gz NWBRKAQTJOUZCS-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142698 1247510667 /nfs/dbraw/zinc/51/06/67/1247510667.db2.gz GYZGWFKAKPZDHB-TZIWHRDSSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197515 1247689170 /nfs/dbraw/zinc/68/91/70/1247689170.db2.gz YDOMPHDZLNTTHV-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCCCC)C2)CC1 ZINC001101025079 1259577651 /nfs/dbraw/zinc/57/76/51/1259577651.db2.gz UUKZMAQYTCNKGO-UHFFFAOYSA-N 2 0 333.520 2.396 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001186824547 1279272656 /nfs/dbraw/zinc/27/26/56/1279272656.db2.gz AHVRBIMMDGMCDP-GOSISDBHSA-N 2 0 347.890 2.224 20 30 EEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001190644970 1280992109 /nfs/dbraw/zinc/99/21/09/1280992109.db2.gz ONNFOLHITMBHOE-RBUKOAKNSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001190818093 1281091289 /nfs/dbraw/zinc/09/12/89/1281091289.db2.gz OBTPGNDOPLUPDE-MSOLQXFVSA-N 2 0 348.491 2.206 20 30 EEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946585 1281722172 /nfs/dbraw/zinc/72/21/72/1281722172.db2.gz DQCGVRSTROEYLG-OALUTQOASA-N 2 0 331.504 2.340 20 30 EEEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194153572 1282915461 /nfs/dbraw/zinc/91/54/61/1282915461.db2.gz FTWFPQHQLSKQRW-MSOLQXFVSA-N 2 0 339.524 2.210 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430711 1283079336 /nfs/dbraw/zinc/07/93/36/1283079336.db2.gz KKHMHSUBZLKPPY-QZTJIDSGSA-N 2 0 344.459 2.080 20 30 EEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367281 1284050383 /nfs/dbraw/zinc/05/03/83/1284050383.db2.gz WENCFUVFOLHBRZ-UHFFFAOYSA-N 2 0 330.476 2.408 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198740353 1285311690 /nfs/dbraw/zinc/31/16/90/1285311690.db2.gz CVJLDQBGONSXOL-NUJGCVRESA-N 2 0 345.487 2.358 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1OC ZINC001198784370 1285330409 /nfs/dbraw/zinc/33/04/09/1285330409.db2.gz BVCQKWMZTXWEGZ-KRWDZBQOSA-N 2 0 343.471 2.257 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001202216901 1289943731 /nfs/dbraw/zinc/94/37/31/1289943731.db2.gz FBSSWZMXUYBIJB-UHFFFAOYSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001488786647 1290231187 /nfs/dbraw/zinc/23/11/87/1290231187.db2.gz WJTSOZQDZVNIMH-WOVMCDHWSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616734 1291638285 /nfs/dbraw/zinc/63/82/85/1291638285.db2.gz OWDYYMHTKJZSFB-TWMKSMIVSA-N 2 0 325.472 2.354 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213460079 1296037262 /nfs/dbraw/zinc/03/72/62/1296037262.db2.gz BSFIYUXQASUTHO-IXDOHACOSA-N 2 0 327.513 2.112 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734795 1296073388 /nfs/dbraw/zinc/07/33/88/1296073388.db2.gz QDJIXLBYNXCABA-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855623 1296621758 /nfs/dbraw/zinc/62/17/58/1296621758.db2.gz IKTMYNWIDFBKHX-BHIYHBOVSA-N 2 0 349.519 2.033 20 30 EEEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001218559058 1297712691 /nfs/dbraw/zinc/71/26/91/1297712691.db2.gz MZPRGKUXFRNMOE-HNNXBMFYSA-N 2 0 325.416 2.326 20 30 EEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001218937391 1297872161 /nfs/dbraw/zinc/87/21/61/1297872161.db2.gz VFNZVLJNTXPXIJ-LJQANCHMSA-N 2 0 334.423 2.275 20 30 EEEDRP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064269 1297922727 /nfs/dbraw/zinc/92/27/27/1297922727.db2.gz STPJDISULDMEEG-RBUKOAKNSA-N 2 0 349.519 2.130 20 30 EEEDRP CC[C@H](C)[C@@H]([NH3+])CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643660 1298487574 /nfs/dbraw/zinc/48/75/74/1298487574.db2.gz NZZGFEQUEPZMDL-WMZOPIPTSA-N 2 0 342.487 2.424 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222073240 1299325778 /nfs/dbraw/zinc/32/57/78/1299325778.db2.gz SFIWBIVZANZYMX-MRXNPFEDSA-N 2 0 331.460 2.339 20 30 EEEDRP COCCOC[NH2+][C@@]12CC[C@@](NCc3[nH]ccc3C#N)(C1)CCC2 ZINC001276839705 1299870446 /nfs/dbraw/zinc/87/04/46/1299870446.db2.gz CULMXDPLXCGMGD-MSOLQXFVSA-N 2 0 332.448 2.031 20 30 EEEDRP C#CCC[NH+]1CCC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001223678115 1300221969 /nfs/dbraw/zinc/22/19/69/1300221969.db2.gz IHOMVOHSAKCQPR-UHFFFAOYSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001226774092 1301548423 /nfs/dbraw/zinc/54/84/23/1301548423.db2.gz JTIJADUCWPVUII-QRVBRYPASA-N 2 0 331.504 2.434 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228647448 1302360102 /nfs/dbraw/zinc/36/01/02/1302360102.db2.gz SYWUHBSIGJHVHU-IAGOWNOFSA-N 2 0 339.524 2.184 20 30 EEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162917 1302362180 /nfs/dbraw/zinc/36/21/80/1302362180.db2.gz PILMWBIMHCDKAV-IAGOWNOFSA-N 2 0 330.476 2.168 20 30 EEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001229632670 1302900623 /nfs/dbraw/zinc/90/06/23/1302900623.db2.gz HFARRFUJMPRCBP-GGPKGHCWSA-N 2 0 327.472 2.114 20 30 EEEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655175 1302907109 /nfs/dbraw/zinc/90/71/09/1302907109.db2.gz BNYAIBCPGGNMNV-GOSISDBHSA-N 2 0 339.524 2.136 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229860232 1302968582 /nfs/dbraw/zinc/96/85/82/1302968582.db2.gz NWUOBQDIMLMSCP-IAGOWNOFSA-N 2 0 348.516 2.479 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103756042 1303301146 /nfs/dbraw/zinc/30/11/46/1303301146.db2.gz WGPOCLMKPCQGLP-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196358 1303637871 /nfs/dbraw/zinc/63/78/71/1303637871.db2.gz SWZLPVKABPAHRY-QRVBRYPASA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816952 1303934847 /nfs/dbraw/zinc/93/48/47/1303934847.db2.gz GFIUKTXWLFTKHB-PXNSSMCTSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916630 1304079635 /nfs/dbraw/zinc/07/96/35/1304079635.db2.gz CVQQSRUXPVWYLW-PXNSSMCTSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115539882 1305302067 /nfs/dbraw/zinc/30/20/67/1305302067.db2.gz RNJUFRTVLBKDAG-INIZCTEOSA-N 2 0 339.911 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543686 1305310908 /nfs/dbraw/zinc/31/09/08/1305310908.db2.gz VUBPCPPDPUPYAD-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115572991 1305397057 /nfs/dbraw/zinc/39/70/57/1305397057.db2.gz CLERWCGBFHNZBR-OAHLLOKOSA-N 2 0 327.900 2.488 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598759 1305482068 /nfs/dbraw/zinc/48/20/68/1305482068.db2.gz XVGNJLOHFKQUJA-KRWDZBQOSA-N 2 0 337.508 2.082 20 30 EEEDRP CCCCCCCCCCCCS(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097808 1309028092 /nfs/dbraw/zinc/02/80/92/1309028092.db2.gz YTFXRYWXGGMVQM-UHFFFAOYSA-N 2 0 335.558 2.457 20 30 EEEDRP CCCCCCCCCC[C@@H](O)C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001246072396 1310230433 /nfs/dbraw/zinc/23/04/33/1310230433.db2.gz WCCVKIVHMWHOQQ-LJQANCHMSA-N 2 0 325.541 2.468 20 30 EEEDRP C#CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000830343320 1314534226 /nfs/dbraw/zinc/53/42/26/1314534226.db2.gz SLAJYYFOPFLLDD-YLJYHZDGSA-N 2 0 339.483 2.111 20 30 EEEDRP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)CC1 ZINC001139705023 1314762507 /nfs/dbraw/zinc/76/25/07/1314762507.db2.gz JSIKPAGCHMARNH-UHFFFAOYSA-N 2 0 337.471 2.251 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150300005 1316230782 /nfs/dbraw/zinc/23/07/82/1316230782.db2.gz XAEIHSZJVIJMCH-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150394447 1316254882 /nfs/dbraw/zinc/25/48/82/1316254882.db2.gz JFFZJLQIYLJRTK-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001151352305 1316510814 /nfs/dbraw/zinc/51/08/14/1316510814.db2.gz XPRIIXRQSPTKNY-ROUUACIJSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255713 1317526577 /nfs/dbraw/zinc/52/65/77/1317526577.db2.gz ZCFZYDPVXNGQHJ-GOSISDBHSA-N 2 0 329.488 2.011 20 30 EEEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001155289099 1317540011 /nfs/dbraw/zinc/54/00/11/1317540011.db2.gz JUUBDZQNESQIOS-KDOFPFPSSA-N 2 0 348.466 2.364 20 30 EEEDRP C=CCOCc1nn(C2CCC([NH+]3CCOCC3)CC2)c2c1C[NH2+]C2 ZINC001256690740 1318834738 /nfs/dbraw/zinc/83/47/38/1318834738.db2.gz KWZNPEANGIBVTM-UHFFFAOYSA-N 2 0 346.475 2.005 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001160883292 1320305646 /nfs/dbraw/zinc/30/56/46/1320305646.db2.gz KJUUULIDHKUJOX-QGZVFWFLSA-N 2 0 335.879 2.128 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161649830 1320570707 /nfs/dbraw/zinc/57/07/07/1320570707.db2.gz XXLRQRZEDFUGAQ-FQEVSTJZSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722735 1320599909 /nfs/dbraw/zinc/59/99/09/1320599909.db2.gz DLDHQGYHSONZKN-UHFFFAOYSA-N 2 0 328.460 2.476 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001162924262 1320989528 /nfs/dbraw/zinc/98/95/28/1320989528.db2.gz JJEKGIAVYZXGOG-HXUWFJFHSA-N 2 0 343.515 2.257 20 30 EEEDRP CC[NH+](CC)CCNC(=[NH2+])NC(F)(F)c1ccnc(Cl)c1C#N ZINC001163122821 1321042465 /nfs/dbraw/zinc/04/24/65/1321042465.db2.gz RDFXZJQMGLFTPI-UHFFFAOYSA-N 2 0 344.797 2.112 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001165253478 1321484264 /nfs/dbraw/zinc/48/42/64/1321484264.db2.gz GQSYTCRQUNANSL-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP N#Cc1c2c(cnc1N1CCCC[C@@H]1C1CC[NH2+]CC1)C[NH2+]CCC2 ZINC001165318946 1321500108 /nfs/dbraw/zinc/50/01/08/1321500108.db2.gz FNMIIRGCRJNKMF-LJQANCHMSA-N 2 0 339.487 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165332336 1321502229 /nfs/dbraw/zinc/50/22/29/1321502229.db2.gz HSOQPGNLUSFQED-HNNXBMFYSA-N 2 0 327.900 2.489 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166802294 1321789882 /nfs/dbraw/zinc/78/98/82/1321789882.db2.gz JTAVAHWKVFAQSO-SFHVURJKSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001203887958 1321982291 /nfs/dbraw/zinc/98/22/91/1321982291.db2.gz GDEGAAMCGMCGDH-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203925475 1321991677 /nfs/dbraw/zinc/99/16/77/1321991677.db2.gz PCRBYERNHKYJKQ-UHFFFAOYSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205763443 1323290866 /nfs/dbraw/zinc/29/08/66/1323290866.db2.gz RHQIUFIXHMPUSP-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206275173 1323443311 /nfs/dbraw/zinc/44/33/11/1323443311.db2.gz PELMVXGFNUUNQH-SFHVURJKSA-N 2 0 325.472 2.213 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208050073 1324289041 /nfs/dbraw/zinc/28/90/41/1324289041.db2.gz URQAOSJCELQNCT-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209691575 1325012755 /nfs/dbraw/zinc/01/27/55/1325012755.db2.gz XUFSHIFYBDGZNX-SFHVURJKSA-N 2 0 349.906 2.494 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210492776 1325308877 /nfs/dbraw/zinc/30/88/77/1325308877.db2.gz CNHNVUVKMQWCPR-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341205812 1337287108 /nfs/dbraw/zinc/28/71/08/1337287108.db2.gz LCFDNRSZTKJGCR-MRXNPFEDSA-N 2 0 325.497 2.045 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100619720 1338556866 /nfs/dbraw/zinc/55/68/66/1338556866.db2.gz DWUXQKJUWBMIRM-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001073633829 1370900889 /nfs/dbraw/zinc/90/08/89/1370900889.db2.gz HVFVBZVUZSLGFB-RBUKOAKNSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643843 1371044796 /nfs/dbraw/zinc/04/47/96/1371044796.db2.gz SOARKZVXYVTUNC-VNQPRFMTSA-N 2 0 327.900 2.155 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001111903570 1371295575 /nfs/dbraw/zinc/29/55/75/1371295575.db2.gz DUWIEGAMWAAAHL-ICSRJNTNSA-N 2 0 333.520 2.493 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001371690423 1375582541 /nfs/dbraw/zinc/58/25/41/1375582541.db2.gz NSVPOHZXRUCGPU-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001374428613 1376807036 /nfs/dbraw/zinc/80/70/36/1376807036.db2.gz WPYKLNLONSZMOM-IBGZPJMESA-N 2 0 342.487 2.273 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001378838701 1380204167 /nfs/dbraw/zinc/20/41/67/1380204167.db2.gz AMEOZXLKGILTTM-KBXCAEBGSA-N 2 0 348.466 2.220 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001379186047 1380624212 /nfs/dbraw/zinc/62/42/12/1380624212.db2.gz FSAAWZQFTRWGMJ-ZDUSSCGKSA-N 2 0 333.823 2.070 20 30 EEEDRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001752773962 1406381096 /nfs/dbraw/zinc/38/10/96/1406381096.db2.gz FFLOYYZMTUAVMG-HDICACEKSA-N 2 0 345.874 2.024 20 30 EEEDRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001391692697 1389527685 /nfs/dbraw/zinc/52/76/85/1389527685.db2.gz GLPUYYVTIGXYHD-QGZVFWFLSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001753032022 1406610499 /nfs/dbraw/zinc/61/04/99/1406610499.db2.gz HVTBHHLCWPHIOI-LJQANCHMSA-N 2 0 341.499 2.398 20 30 EEEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401137784 1396970494 /nfs/dbraw/zinc/97/04/94/1396970494.db2.gz AHJMXWURBJIVLP-HNNXBMFYSA-N 2 0 348.516 2.194 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001403270077 1399719454 /nfs/dbraw/zinc/71/94/54/1399719454.db2.gz MQSFLUQKVXYYBP-OAHLLOKOSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001422744420 1400171076 /nfs/dbraw/zinc/17/10/76/1400171076.db2.gz SAIKMDHGYMFSBP-AWEZNQCLSA-N 2 0 334.489 2.090 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)CC[N@@H+]1C ZINC001424179450 1400952210 /nfs/dbraw/zinc/95/22/10/1400952210.db2.gz PWQCVYKLNHGTKF-CZUORRHYSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001755138428 1407148247 /nfs/dbraw/zinc/14/82/47/1407148247.db2.gz MODXYIJOVZCVHF-JKSUJKDBSA-N 2 0 327.488 2.459 20 30 EEEDRP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC001752039570 1406179830 /nfs/dbraw/zinc/17/98/30/1406179830.db2.gz NUFWVGDBXQDPGF-UHFFFAOYSA-N 2 0 342.487 2.371 20 30 EEEDRP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001752072746 1406195424 /nfs/dbraw/zinc/19/54/24/1406195424.db2.gz HASYKMAVRYEPGL-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]21 ZINC001755708362 1407761469 /nfs/dbraw/zinc/76/14/69/1407761469.db2.gz LWKRFMXIDOVWID-IPMKNSEASA-N 2 0 333.520 2.348 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001168023662 782294482 /nfs/dbraw/zinc/29/44/82/782294482.db2.gz ZIMKGCIOTMYARR-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001168030984 782423308 /nfs/dbraw/zinc/42/33/08/782423308.db2.gz WMDKGAGLXJYXAU-RBUKOAKNSA-N 2 0 340.471 2.171 20 30 EEEDRP C=C(Br)C[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206793858 757164592 /nfs/dbraw/zinc/16/45/92/757164592.db2.gz DIOLCNXPFXGDHR-UHFFFAOYSA-N 2 0 346.313 2.065 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287019 757944598 /nfs/dbraw/zinc/94/45/98/757944598.db2.gz QSBCNFNHIPJOCU-GUDVDZBRSA-N 2 0 333.520 2.062 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460760 759662738 /nfs/dbraw/zinc/66/27/38/759662738.db2.gz NOOBYLQCCWSULK-UHFFFAOYSA-N 2 0 327.472 2.261 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001087296340 761511940 /nfs/dbraw/zinc/51/19/40/761511940.db2.gz XRDQKAOSDIQBDV-FGTMMUONSA-N 2 0 336.439 2.186 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104896125 765522685 /nfs/dbraw/zinc/52/26/85/765522685.db2.gz LBYONWGDBBSXIM-YLJYHZDGSA-N 2 0 345.531 2.206 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089408807 768844875 /nfs/dbraw/zinc/84/48/75/768844875.db2.gz HWHRHLPOOADFHY-OALUTQOASA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430691 769092442 /nfs/dbraw/zinc/09/24/42/769092442.db2.gz RKRSZFHNWQCQDB-KRWDZBQOSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533401 770161958 /nfs/dbraw/zinc/16/19/58/770161958.db2.gz CGFBRIWTYNPHKC-GOSISDBHSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106533 782920125 /nfs/dbraw/zinc/92/01/25/782920125.db2.gz FZJLSAYXBJVXQX-JTDSTZFVSA-N 2 0 337.483 2.165 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138973 773928581 /nfs/dbraw/zinc/92/85/81/773928581.db2.gz IEOLWAZQURGSTR-RCCFBDPRSA-N 2 0 336.439 2.188 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251725 774191207 /nfs/dbraw/zinc/19/12/07/774191207.db2.gz GCUIFWIAONSPQL-SLFFLAALSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093727 777407865 /nfs/dbraw/zinc/40/78/65/777407865.db2.gz PFEPSUXYCZXERS-MOPGFXCFSA-N 2 0 331.504 2.387 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000981528618 777592608 /nfs/dbraw/zinc/59/26/08/777592608.db2.gz SYEYKCCPXVZPEF-GJZGRUSLSA-N 2 0 346.500 2.233 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099958 779092872 /nfs/dbraw/zinc/09/28/72/779092872.db2.gz MFMQBXOTCKCZAX-UHFFFAOYSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982294850 779595878 /nfs/dbraw/zinc/59/58/78/779595878.db2.gz IXPSOQKZILKDAL-NRSPTQNISA-N 2 0 345.531 2.158 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035205040 784056007 /nfs/dbraw/zinc/05/60/07/784056007.db2.gz HMVQNZCXOIPOMK-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248890 784190863 /nfs/dbraw/zinc/19/08/63/784190863.db2.gz LHCOPSZRQBRLFO-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135743247 784350670 /nfs/dbraw/zinc/35/06/70/784350670.db2.gz HMDVPDUQEKUIDX-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975764 784924976 /nfs/dbraw/zinc/92/49/76/784924976.db2.gz BZJINHLRYCIDRP-IRXDYDNUSA-N 2 0 347.478 2.392 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CC4CCC4)C3)CC2)CC1 ZINC001035855942 785294948 /nfs/dbraw/zinc/29/49/48/785294948.db2.gz DLXIDSFTLMXVJD-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)N(C)C)CC2 ZINC001035857303 785297354 /nfs/dbraw/zinc/29/73/54/785297354.db2.gz LMWRPZZFEAYVII-SFHVURJKSA-N 2 0 327.472 2.400 20 30 EEEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818984604 785350748 /nfs/dbraw/zinc/35/07/48/785350748.db2.gz JBMPSCHVJQQPPH-IBGZPJMESA-N 2 0 339.439 2.322 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036224845 786055374 /nfs/dbraw/zinc/05/53/74/786055374.db2.gz MBIOUBYEKPOPFZ-GOEBONIOSA-N 2 0 327.900 2.297 20 30 EEEDRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000996667238 787031930 /nfs/dbraw/zinc/03/19/30/787031930.db2.gz YQBGJBKXPDVCDA-UHFFFAOYSA-N 2 0 340.471 2.123 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000996690408 787146798 /nfs/dbraw/zinc/14/67/98/787146798.db2.gz XZLKRDYTPOSLNY-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997093472 788772932 /nfs/dbraw/zinc/77/29/32/788772932.db2.gz OEEYAYHBIKPZAG-CVEARBPZSA-N 2 0 325.884 2.336 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946856359 788795711 /nfs/dbraw/zinc/79/57/11/788795711.db2.gz HIZCDBPRHXQRRT-GBESFXJTSA-N 2 0 333.520 2.465 20 30 EEEDRP N#Cc1cncc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001144074050 789199314 /nfs/dbraw/zinc/19/93/14/789199314.db2.gz UVGHKKJPXJIPTO-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359569 789449817 /nfs/dbraw/zinc/44/98/17/789449817.db2.gz SBRPHNJDYDMJEV-CEXWTWQISA-N 2 0 343.471 2.010 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798770 805989542 /nfs/dbraw/zinc/98/95/42/805989542.db2.gz RJDXZASGKZHFBY-YDZRNGNQSA-N 2 0 349.519 2.173 20 30 EEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001171220528 790107890 /nfs/dbraw/zinc/10/78/90/790107890.db2.gz BHSVXAYEKRCMCD-KRWDZBQOSA-N 2 0 326.488 2.201 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001147826436 791985031 /nfs/dbraw/zinc/98/50/31/791985031.db2.gz VQUNVPTYGSGKRD-DOTOQJQBSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998304198 792513117 /nfs/dbraw/zinc/51/31/17/792513117.db2.gz MSKNFCPKCSJPDK-LSDHHAIUSA-N 2 0 347.425 2.273 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115994 792870819 /nfs/dbraw/zinc/87/08/19/792870819.db2.gz MHAZLYNHDCITNE-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190773 793653929 /nfs/dbraw/zinc/65/39/29/793653929.db2.gz WYXADADVAFNSSK-SBHAEUEKSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303216 793779175 /nfs/dbraw/zinc/77/91/75/793779175.db2.gz ZUDGJTFVIGKALM-SBHAEUEKSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001079189644 794469601 /nfs/dbraw/zinc/46/96/01/794469601.db2.gz UWHYXXJSCBZQJX-RCCFBDPRSA-N 2 0 333.451 2.236 20 30 EEEDRP N#Cc1cccc(C[N@@H+]2CC[C@@]3(NC(=O)Cn4ccnc4)CCC[C@H]23)c1 ZINC000992525072 794499543 /nfs/dbraw/zinc/49/95/43/794499543.db2.gz VVCYNMZIYQGMSO-ICSRJNTNSA-N 2 0 349.438 2.068 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000999488791 794588774 /nfs/dbraw/zinc/58/87/74/794588774.db2.gz HFVCQZZOWULRTM-FUHWJXTLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106371396 795462941 /nfs/dbraw/zinc/46/29/41/795462941.db2.gz YNBRSBHJDCYZKN-UKRRQHHQSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036864086 795563439 /nfs/dbraw/zinc/56/34/39/795563439.db2.gz RELCKVWEFYBIFV-RTBURBONSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867589 795611114 /nfs/dbraw/zinc/61/11/14/795611114.db2.gz XEIGPIGHNLBPLJ-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413806 796201535 /nfs/dbraw/zinc/20/15/35/796201535.db2.gz LDPVMAKOAHCTLR-QWFCFKBJSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497933 796290481 /nfs/dbraw/zinc/29/04/81/796290481.db2.gz RYPACUAANJNJLW-PNYFIKQUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577632 796419142 /nfs/dbraw/zinc/41/91/42/796419142.db2.gz KNVYZTDYTBQQPM-BFYDXBDKSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCF)CC3)CC1 ZINC001094581455 796421845 /nfs/dbraw/zinc/42/18/45/796421845.db2.gz BKDUDVFQNUJTQA-UYAOXDASSA-N 2 0 349.494 2.052 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081134245 796662889 /nfs/dbraw/zinc/66/28/89/796662889.db2.gz QTFLXMDXAQDEDL-IPMKNSEASA-N 2 0 327.472 2.241 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667296 796821986 /nfs/dbraw/zinc/82/19/86/796821986.db2.gz BCOGCQQZZGXCFV-LSDHHAIUSA-N 2 0 337.895 2.384 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078725259 796884729 /nfs/dbraw/zinc/88/47/29/796884729.db2.gz MPPJPNOLFLAIQW-MOPGFXCFSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001112555562 806549679 /nfs/dbraw/zinc/54/96/79/806549679.db2.gz YRXXHZGKAUKVKD-FPOVZHCZSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC2CCCCC2)CC1 ZINC001176926446 798631181 /nfs/dbraw/zinc/63/11/81/798631181.db2.gz MROAUGGDNYIYCZ-UHFFFAOYSA-N 2 0 333.520 2.398 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176986286 798675012 /nfs/dbraw/zinc/67/50/12/798675012.db2.gz JNZVBBWJLXLLNW-SFHVURJKSA-N 2 0 346.450 2.168 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177415710 798934261 /nfs/dbraw/zinc/93/42/61/798934261.db2.gz JAKOSMMFZPQXPU-HKUYNNGSSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001150794485 799445657 /nfs/dbraw/zinc/44/56/57/799445657.db2.gz KQLSDLAICSWIPA-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)cc1 ZINC001085423501 800483163 /nfs/dbraw/zinc/48/31/63/800483163.db2.gz SUBZRGSIAKNHAI-RTBURBONSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207949 801148180 /nfs/dbraw/zinc/14/81/80/801148180.db2.gz TVQORMFFUBMILC-PKOBYXMFSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589916 801259003 /nfs/dbraw/zinc/25/90/03/801259003.db2.gz KINHROHJCRHGKX-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946599887 801856827 /nfs/dbraw/zinc/85/68/27/801856827.db2.gz UUPMNZYHMDIAQJ-ZSYWTGECSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004438361 802063800 /nfs/dbraw/zinc/06/38/00/802063800.db2.gz OVLAQFTZFIGWDC-OALUTQOASA-N 2 0 331.504 2.217 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CCCN2CC#N)CC1 ZINC001004456841 802116369 /nfs/dbraw/zinc/11/63/69/802116369.db2.gz ILLFKXMSCGYUDX-RTBURBONSA-N 2 0 346.519 2.476 20 30 EEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000073761379 802129318 /nfs/dbraw/zinc/12/93/18/802129318.db2.gz IEMLFUDUUCYFCU-GOSISDBHSA-N 3 0 349.567 2.292 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004466361 802141198 /nfs/dbraw/zinc/14/11/98/802141198.db2.gz USQURRRMDMCPJL-MOPGFXCFSA-N 2 0 333.520 2.299 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001185071662 802335547 /nfs/dbraw/zinc/33/55/47/802335547.db2.gz ACDAIPRKEXYASD-APWZRJJASA-N 2 0 342.487 2.084 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086402337 802898857 /nfs/dbraw/zinc/89/88/57/802898857.db2.gz QCYIHHWJFHRVIG-ATZDWAIDSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001005001289 803426339 /nfs/dbraw/zinc/42/63/39/803426339.db2.gz IZLMTIGGCJVGIT-PXNSSMCTSA-N 2 0 345.531 2.491 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797658 804052432 /nfs/dbraw/zinc/05/24/32/804052432.db2.gz IDSJYULDCJAGAG-QFBILLFUSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809138 804085784 /nfs/dbraw/zinc/08/57/84/804085784.db2.gz FSNQOWLIGJCDSP-RHSMWYFYSA-N 2 0 348.516 2.479 20 30 EEEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809136 804086473 /nfs/dbraw/zinc/08/64/73/804086473.db2.gz FSNQOWLIGJCDSP-PBHICJAKSA-N 2 0 348.516 2.479 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108830471 804554154 /nfs/dbraw/zinc/55/41/54/804554154.db2.gz NMPHWRBCXFTOAG-WDSOQIARSA-N 2 0 339.483 2.354 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473811 805514081 /nfs/dbraw/zinc/51/40/81/805514081.db2.gz GLHJLLIAIJUMMB-XWSJACJDSA-N 2 0 349.519 2.031 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423301 811616891 /nfs/dbraw/zinc/61/68/91/811616891.db2.gz OOTDORQRQCRUGF-WBVHZDCISA-N 2 0 347.507 2.122 20 30 EEEDRP CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1)[NH+](C)C ZINC001438394853 1090882121 /nfs/dbraw/zinc/88/21/21/1090882121.db2.gz VXXSUCFDODVHOE-GOSISDBHSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001496449606 1101042203 /nfs/dbraw/zinc/04/22/03/1101042203.db2.gz OZKMLPIILRPBEI-LSDHHAIUSA-N 2 0 327.900 2.297 20 30 EEEDRP N#Cc1ccc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051959974 214110314 /nfs/dbraw/zinc/11/03/14/214110314.db2.gz RYSKXWLLBHNNDV-UHFFFAOYSA-N 2 0 343.471 2.371 20 30 EEEDRP C#CCNC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491419326 533162443 /nfs/dbraw/zinc/16/24/43/533162443.db2.gz UJGSBWQYRLINIM-UHFFFAOYSA-N 2 0 339.483 2.114 20 30 EEEDRP C[C@H](CNc1ccc(C#N)c(NC[C@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000291847770 267162755 /nfs/dbraw/zinc/16/27/55/267162755.db2.gz MEPQYJXOIBRSQM-CABCVRRESA-N 2 0 332.496 2.172 20 30 EEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580791037 324129961 /nfs/dbraw/zinc/12/99/61/324129961.db2.gz WWCVUOBNGKBJDA-OAHLLOKOSA-N 2 0 326.448 2.203 20 30 EEEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564054 462919759 /nfs/dbraw/zinc/91/97/59/462919759.db2.gz DVGZGIZKLRCVCH-QGZVFWFLSA-N 2 0 334.508 2.335 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000027351897 463188918 /nfs/dbraw/zinc/18/89/18/463188918.db2.gz CSPFXJCJHJYAIO-UHFFFAOYSA-N 2 0 331.464 2.296 20 30 EEEDRP Cc1nccn1CCC[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000136303430 463234367 /nfs/dbraw/zinc/23/43/67/463234367.db2.gz NXNKBMFFMLHMLK-UHFFFAOYSA-N 2 0 331.464 2.198 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000139058017 463316963 /nfs/dbraw/zinc/31/69/63/463316963.db2.gz NFXPBTNREBLDSS-AEFFLSMTSA-N 2 0 334.508 2.153 20 30 EEEDRP C[C@@H](CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c1)[NH+](C)C ZINC000277035253 463851923 /nfs/dbraw/zinc/85/19/23/463851923.db2.gz FHKJASNLVXGRDO-STQMWFEESA-N 2 0 348.451 2.190 20 30 EEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185756595 463873771 /nfs/dbraw/zinc/87/37/71/463873771.db2.gz AYFDIIIILSPCGI-WOJBJXKFSA-N 2 0 326.488 2.476 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc(OC)c(OC)c1 ZINC000264068322 464279572 /nfs/dbraw/zinc/27/95/72/464279572.db2.gz CEEMQUJNBDIQFT-MRXNPFEDSA-N 2 0 348.491 2.025 20 30 EEEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C[C@@H](C)O1 ZINC000264079295 464280837 /nfs/dbraw/zinc/28/08/37/464280837.db2.gz IDFUWOKMRASMEM-HUUCEWRRSA-N 2 0 330.476 2.401 20 30 EEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000264104494 464283525 /nfs/dbraw/zinc/28/35/25/464283525.db2.gz PCQLBSUCTFILPO-MRXNPFEDSA-N 2 0 331.508 2.027 20 30 EEEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293639325 464415503 /nfs/dbraw/zinc/41/55/03/464415503.db2.gz ROAUZZMQQHZTHA-WOJBJXKFSA-N 2 0 326.488 2.428 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247776958 464706093 /nfs/dbraw/zinc/70/60/93/464706093.db2.gz QWXAMRPWJNJPED-BBWFWOEESA-N 2 0 336.524 2.302 20 30 EEEDRP C[NH+](C)[C@@]1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCSC1 ZINC000330172586 465558391 /nfs/dbraw/zinc/55/83/91/465558391.db2.gz YBIGDWCRIXXZDT-QGZVFWFLSA-N 2 0 342.553 2.237 20 30 EEEDRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)CC1 ZINC000424170942 466995649 /nfs/dbraw/zinc/99/56/49/466995649.db2.gz LNKLGKYIROFVCG-SFHVURJKSA-N 2 0 343.475 2.177 20 30 EEEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420305936 467346425 /nfs/dbraw/zinc/34/64/25/467346425.db2.gz QDXCMEIGJUJTAB-HZPDHXFCSA-N 2 0 326.448 2.211 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712036 468239153 /nfs/dbraw/zinc/23/91/53/468239153.db2.gz CRRFFGBLIPOJST-YLJYHZDGSA-N 2 0 341.499 2.448 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000583072937 468638465 /nfs/dbraw/zinc/63/84/65/468638465.db2.gz ZZFNGZBAXHMZAR-OAHLLOKOSA-N 2 0 343.475 2.060 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCC1 ZINC000600734756 468641986 /nfs/dbraw/zinc/64/19/86/468641986.db2.gz KMFXHMJOPQALOC-QGZVFWFLSA-N 2 0 331.460 2.010 20 30 EEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000602607561 469382335 /nfs/dbraw/zinc/38/23/35/469382335.db2.gz YTIKERRSGOQVGZ-INIZCTEOSA-N 2 0 346.475 2.211 20 30 EEEDRP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614402393 469931244 /nfs/dbraw/zinc/93/12/44/469931244.db2.gz XCMMNQVKIAFXTI-HXUWFJFHSA-N 2 0 326.488 2.467 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021202 782134465 /nfs/dbraw/zinc/13/44/65/782134465.db2.gz CJUFPXJPCBVXMV-KBPBESRZSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000171713802 526435863 /nfs/dbraw/zinc/43/58/63/526435863.db2.gz NJTPQJOIDOFRGX-UHFFFAOYSA-N 2 0 330.476 2.198 20 30 EEEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001020509400 674971013 /nfs/dbraw/zinc/97/10/13/674971013.db2.gz TXIQOOOLSAIMKD-AJNGGQMLSA-N 2 0 346.500 2.087 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001021089645 675715594 /nfs/dbraw/zinc/71/55/94/675715594.db2.gz GNUMZUOYHAIYDU-WGSAOQKQSA-N 2 0 331.504 2.149 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718046 676757805 /nfs/dbraw/zinc/75/78/05/676757805.db2.gz CJIRUOCUXXSJDP-RCCFBDPRSA-N 2 0 349.438 2.118 20 30 EEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971800731 676811560 /nfs/dbraw/zinc/81/15/60/676811560.db2.gz LYBQAWXIWVVXFE-RTBURBONSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023423531 679300422 /nfs/dbraw/zinc/30/04/22/679300422.db2.gz YRYHCIXFHLAVNR-PMACEKPBSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001023449204 679314417 /nfs/dbraw/zinc/31/44/17/679314417.db2.gz JRGREPPNHNUDQG-IAGOWNOFSA-N 2 0 330.476 2.240 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC001024367001 679883867 /nfs/dbraw/zinc/88/38/67/679883867.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 0 339.483 2.103 20 30 EEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712432 681372857 /nfs/dbraw/zinc/37/28/57/681372857.db2.gz XNRNDRIMBKWTLT-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025465832 682840060 /nfs/dbraw/zinc/84/00/60/682840060.db2.gz WLTXFHLPRHUKMQ-DOTOQJQBSA-N 2 0 338.455 2.496 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520188 682953709 /nfs/dbraw/zinc/95/37/09/682953709.db2.gz BKLFIPMVBROWSI-HOCLYGCPSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527487 682957014 /nfs/dbraw/zinc/95/70/14/682957014.db2.gz HSKVUWDIFVLWQQ-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992904951 683633475 /nfs/dbraw/zinc/63/34/75/683633475.db2.gz HUMGKMUPGPLOLZ-OWCLPIDISA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001026612006 684784835 /nfs/dbraw/zinc/78/48/35/684784835.db2.gz RXEGVBMPGSDSQY-UHFFFAOYSA-N 2 0 331.460 2.385 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@H]2C)CC1 ZINC000987569929 689846080 /nfs/dbraw/zinc/84/60/80/689846080.db2.gz JFNKJJXLOJOCQR-APWZRJJASA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC3=CCCCC3)CC2)CC1 ZINC000989735047 692231901 /nfs/dbraw/zinc/23/19/01/692231901.db2.gz PSYRBZPTRDLRBU-UHFFFAOYSA-N 2 0 343.515 2.366 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089880051 1192633361 /nfs/dbraw/zinc/63/33/61/1192633361.db2.gz GYODVUIZWFHNNV-NMLBUPMWSA-N 2 0 345.531 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001266884475 1177701703 /nfs/dbraw/zinc/70/17/03/1177701703.db2.gz PIXBURDQNAXUQA-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001105444248 1187181674 /nfs/dbraw/zinc/18/16/74/1187181674.db2.gz CGXNDHUONGMMNM-HFSMHLIXSA-N 2 0 341.499 2.320 20 30 EEEDRP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001105480458 1188095254 /nfs/dbraw/zinc/09/52/54/1188095254.db2.gz ALZXPFSNDJXEKM-HFCFLWKCSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001105556018 1188171700 /nfs/dbraw/zinc/17/17/00/1188171700.db2.gz ACEKAMIFQLPNQO-GBESFXJTSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574902 1188189186 /nfs/dbraw/zinc/18/91/86/1188189186.db2.gz LLZWTPIXJKMVBA-SFHVURJKSA-N 2 0 343.515 2.247 20 30 EEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244302 1188806309 /nfs/dbraw/zinc/80/63/09/1188806309.db2.gz NWJSZVTWBWJNTR-FRQCXROJSA-N 2 0 337.483 2.308 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001076604453 1189035701 /nfs/dbraw/zinc/03/57/01/1189035701.db2.gz GVSNHPFVCFMKFF-RBUKOAKNSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034403954 1196196068 /nfs/dbraw/zinc/19/60/68/1196196068.db2.gz FILAAGOAGZGZRZ-HXUWFJFHSA-N 2 0 341.499 2.398 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001034607896 1196430194 /nfs/dbraw/zinc/43/01/94/1196430194.db2.gz AYIMVJUWXJGPJG-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP N#CCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813371414 1199000853 /nfs/dbraw/zinc/00/08/53/1199000853.db2.gz ZAKGHMRLIUWANQ-UHFFFAOYSA-N 2 0 340.471 2.004 20 30 EEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132870101 1200132490 /nfs/dbraw/zinc/13/24/90/1200132490.db2.gz QCFODEWGCFVAIE-HOCLYGCPSA-N 2 0 333.501 2.131 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC[C@@H]1C ZINC001133122968 1200477726 /nfs/dbraw/zinc/47/77/26/1200477726.db2.gz WRRZJISNGAYWSW-ICSRJNTNSA-N 2 0 343.515 2.421 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165444 1200538959 /nfs/dbraw/zinc/53/89/59/1200538959.db2.gz GYESNSDAXGNRTK-PXNSSMCTSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001133337250 1200761693 /nfs/dbraw/zinc/76/16/93/1200761693.db2.gz KYMBOTBDTUDHEB-AZUAARDMSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133358717 1200788945 /nfs/dbraw/zinc/78/89/45/1200788945.db2.gz CVFFZWPMMBRMGZ-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133404053 1200867692 /nfs/dbraw/zinc/86/76/92/1200867692.db2.gz WAYYQBHNCDRBPC-MRXNPFEDSA-N 2 0 347.890 2.233 20 30 EEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000887133381 1204213289 /nfs/dbraw/zinc/21/32/89/1204213289.db2.gz ZQOWONSOZDMBJT-MRXNPFEDSA-N 2 0 349.438 2.493 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000930980148 1206597195 /nfs/dbraw/zinc/59/71/95/1206597195.db2.gz UAIBXIVPHDJEKJ-IBGZPJMESA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)[C@H](C)C2)CC1 ZINC000948070197 1208853853 /nfs/dbraw/zinc/85/38/53/1208853853.db2.gz NQKIOKGJTHSBNE-APWZRJJASA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948078890 1208860095 /nfs/dbraw/zinc/86/00/95/1208860095.db2.gz PTNDTVRSFTTZRT-HOTGVXAUSA-N 2 0 331.460 2.337 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC000949124093 1209544612 /nfs/dbraw/zinc/54/46/12/1209544612.db2.gz PKTAMRHSJYZTLY-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000779791390 1210973998 /nfs/dbraw/zinc/97/39/98/1210973998.db2.gz IMJXKXQMVDRLMU-CYBMUJFWSA-N 2 0 329.448 2.039 20 30 EEEDRP C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000083052356 1211453514 /nfs/dbraw/zinc/45/35/14/1211453514.db2.gz AVEOLIWABWRXJM-LLVKDONJSA-N 2 0 344.381 2.472 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303793932 1213906188 /nfs/dbraw/zinc/90/61/88/1213906188.db2.gz ZZICXVKEGDASLG-ROUUACIJSA-N 3 0 337.556 2.276 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000960268946 1216460975 /nfs/dbraw/zinc/46/09/75/1216460975.db2.gz YXABORQRUDLMPV-VAMGGRTRSA-N 2 0 339.483 2.276 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000960715936 1216826763 /nfs/dbraw/zinc/82/67/63/1216826763.db2.gz FTMHTEQNJKKUNS-RBUKOAKNSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253609 1217112042 /nfs/dbraw/zinc/11/20/42/1217112042.db2.gz QYNAHFWOOYXZCT-PMACEKPBSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961260102 1217115401 /nfs/dbraw/zinc/11/54/01/1217115401.db2.gz KAYWKCLSKIGQCO-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961342223 1217150200 /nfs/dbraw/zinc/15/02/00/1217150200.db2.gz QHFFZURGNMHURB-OALUTQOASA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000965063098 1218867278 /nfs/dbraw/zinc/86/72/78/1218867278.db2.gz JVGJJKFGJFZLLL-WCWKGHBLSA-N 2 0 325.884 2.098 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025103 1221749616 /nfs/dbraw/zinc/74/96/16/1221749616.db2.gz KPNAJEUCKSAOMH-FQEVSTJZSA-N 2 0 341.499 2.398 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC001016336495 1226359977 /nfs/dbraw/zinc/35/99/77/1226359977.db2.gz LZJZKRYWIYHKMW-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016643256 1226719197 /nfs/dbraw/zinc/71/91/97/1226719197.db2.gz OUKGYOBYHCUTNT-OAHLLOKOSA-N 2 0 331.485 2.027 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664403 1226750157 /nfs/dbraw/zinc/75/01/57/1226750157.db2.gz XBXOETSWBGAXTG-MSOLQXFVSA-N 2 0 331.504 2.243 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916855 1226968951 /nfs/dbraw/zinc/96/89/51/1226968951.db2.gz XFQCZOZFPYBUJG-IBGZPJMESA-N 2 0 343.515 2.102 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018990181 1228611127 /nfs/dbraw/zinc/61/11/27/1228611127.db2.gz FHEAWGURJMVKPH-GJZGRUSLSA-N 2 0 346.500 2.185 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020145013 1229509180 /nfs/dbraw/zinc/50/91/80/1229509180.db2.gz FGONMBREJIEFSE-ZQIUZPCESA-N 2 0 346.500 2.229 20 30 EEEDRP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139881 1230354334 /nfs/dbraw/zinc/35/43/34/1230354334.db2.gz MCZLZYNJEFUARS-WOJBJXKFSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209970 1231105008 /nfs/dbraw/zinc/10/50/08/1231105008.db2.gz MRVPCHFNKJRXSF-NSHGMRRFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040242693 1231127482 /nfs/dbraw/zinc/12/74/82/1231127482.db2.gz ZSIFGGNUFUGJPN-PZJWPPBQSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707814 1231343371 /nfs/dbraw/zinc/34/33/71/1231343371.db2.gz JLWMIGWUVMFBGY-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040947929 1231408228 /nfs/dbraw/zinc/40/82/28/1231408228.db2.gz IKWLZKFPPBMGFH-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725195 1231663346 /nfs/dbraw/zinc/66/33/46/1231663346.db2.gz LKCIEZNBXAJBGA-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845925 1231728888 /nfs/dbraw/zinc/72/88/88/1231728888.db2.gz RVXLSXJXFGDVOM-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268375 1231993669 /nfs/dbraw/zinc/99/36/69/1231993669.db2.gz CJNIBOBMRRKAEX-QUCCMNQESA-N 2 0 339.483 2.308 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042304451 1232016952 /nfs/dbraw/zinc/01/69/52/1232016952.db2.gz NXPGUOWEOJQEKA-PKOBYXMFSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCC(C)C)[C@H]3C2)CC1 ZINC001042367936 1232050300 /nfs/dbraw/zinc/05/03/00/1232050300.db2.gz MKDVBFXRTGGLBF-ICSRJNTNSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044745636 1233230534 /nfs/dbraw/zinc/23/05/34/1233230534.db2.gz YBAUAAMVOXEHOT-QFBILLFUSA-N 2 0 327.472 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC3CC3)C[C@@H]2C)CC1 ZINC001044871220 1233331086 /nfs/dbraw/zinc/33/10/86/1233331086.db2.gz IPTJPAZIYKFNHF-LPHOPBHVSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccsc2)CC1 ZINC001045320980 1233666257 /nfs/dbraw/zinc/66/62/57/1233666257.db2.gz AHDRCEYYDGDQJJ-SFHVURJKSA-N 2 0 345.512 2.174 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(C)C)C3)CC1 ZINC001047208683 1235672352 /nfs/dbraw/zinc/67/23/52/1235672352.db2.gz JSAQHJJTUDLJAC-SXLOBPIMSA-N 2 0 345.531 2.347 20 30 EEEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047243971 1235735649 /nfs/dbraw/zinc/73/56/49/1235735649.db2.gz OILOQUFJGSJRES-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818801 1238733181 /nfs/dbraw/zinc/73/31/81/1238733181.db2.gz NZNVPSMJFWFXBS-OKYOBFRVSA-N 2 0 331.504 2.217 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849830 1238973631 /nfs/dbraw/zinc/97/36/31/1238973631.db2.gz UCWUEDRODKRXKO-OWCLPIDISA-N 2 0 325.884 2.004 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001000104893 1239945947 /nfs/dbraw/zinc/94/59/47/1239945947.db2.gz OCTKGXCMRKQQOE-RTBURBONSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107311 1240019040 /nfs/dbraw/zinc/01/90/40/1240019040.db2.gz DOSQDFKHYFFITG-TWMKSMIVSA-N 2 0 337.895 2.146 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172230 1240177169 /nfs/dbraw/zinc/17/71/69/1240177169.db2.gz VKDHABNYJIRKBN-INDMIFKZSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001050725204 1244221935 /nfs/dbraw/zinc/22/19/35/1244221935.db2.gz REJVOJSFYDUVTM-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3C)cccc2C1 ZINC001051283062 1245475514 /nfs/dbraw/zinc/47/55/14/1245475514.db2.gz CVRRRVIBVGEBEN-IBGZPJMESA-N 2 0 327.472 2.331 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)CC)CC2)CC1 ZINC001052954726 1245546227 /nfs/dbraw/zinc/54/62/27/1245546227.db2.gz QWCKIVOQBYTYHO-IEBWSBKVSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053051457 1245775256 /nfs/dbraw/zinc/77/52/56/1245775256.db2.gz OUDCJKGYWDREKB-ZWKOTPCHSA-N 2 0 331.504 2.219 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053086083 1245859517 /nfs/dbraw/zinc/85/95/17/1245859517.db2.gz AYFMXPBDPBWSRF-IEBWSBKVSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053099718 1245904565 /nfs/dbraw/zinc/90/45/65/1245904565.db2.gz XZWILHVLTRCISB-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001101582240 1245990253 /nfs/dbraw/zinc/99/02/53/1245990253.db2.gz FQBZVXQPQOJIEP-RTBURBONSA-N 2 0 345.531 2.491 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001052248882 1246759302 /nfs/dbraw/zinc/75/93/02/1246759302.db2.gz BBSMSFJAZVWWAT-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438854 1247286581 /nfs/dbraw/zinc/28/65/81/1247286581.db2.gz CVKIPMZHAARUKM-MJGOQNOKSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222560 1247760655 /nfs/dbraw/zinc/76/06/55/1247760655.db2.gz DRFPVLZRPUKIKE-OAQYLSRUSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072910265 1255482711 /nfs/dbraw/zinc/48/27/11/1255482711.db2.gz YDPLGZSYRBVMQN-IBGZPJMESA-N 2 0 343.515 2.341 20 30 EEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257505 1258044219 /nfs/dbraw/zinc/04/42/19/1258044219.db2.gz GFODJDBVAUGPPG-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCCC)C[C@H]32)CC1 ZINC001190317539 1280790699 /nfs/dbraw/zinc/79/06/99/1280790699.db2.gz GUCZBEDNKXMCPO-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)CC#Cc3ccccc3)C2)CCC1 ZINC001190644753 1280992124 /nfs/dbraw/zinc/99/21/24/1280992124.db2.gz LRMRNKOXWUHOEL-IBGZPJMESA-N 2 0 339.483 2.055 20 30 EEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946586 1281722663 /nfs/dbraw/zinc/72/26/63/1281722663.db2.gz DQCGVRSTROEYLG-RBUKOAKNSA-N 2 0 331.504 2.340 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001196341416 1284008212 /nfs/dbraw/zinc/00/82/12/1284008212.db2.gz OMPCAZPRFSKNIO-IAGOWNOFSA-N 2 0 330.476 2.335 20 30 EEEDRP C=CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CCC)c1ccccc1OC ZINC001198968997 1285450525 /nfs/dbraw/zinc/45/05/25/1285450525.db2.gz RCVMGXPZZXFDSX-KRWDZBQOSA-N 2 0 333.476 2.360 20 30 EEEDRP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852102530 1291993647 /nfs/dbraw/zinc/99/36/47/1291993647.db2.gz YUSFHQRABTWOPC-ILZDJORESA-N 2 0 327.472 2.157 20 30 EEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073455604 1297081717 /nfs/dbraw/zinc/08/17/17/1297081717.db2.gz KJFWFXJTLGNCQH-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363182 1297642214 /nfs/dbraw/zinc/64/22/14/1297642214.db2.gz KDUMHISNMRMHQI-ZWKOTPCHSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521394 1299181102 /nfs/dbraw/zinc/18/11/02/1299181102.db2.gz QOPICIZKUZQPPB-OKYOBFRVSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316283 1301350721 /nfs/dbraw/zinc/35/07/21/1301350721.db2.gz OYQQXCHAJGDLHU-IAGOWNOFSA-N 2 0 347.507 2.042 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001103269658 1302621198 /nfs/dbraw/zinc/62/11/98/1302621198.db2.gz IYXPEYXIUMXKBW-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753497 1303298079 /nfs/dbraw/zinc/29/80/79/1303298079.db2.gz LUBNGGBXDFUVBJ-QZTJIDSGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC001230784277 1303455624 /nfs/dbraw/zinc/45/56/24/1303455624.db2.gz ZQGPUIINXDGBLI-GOSISDBHSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116147 1304254768 /nfs/dbraw/zinc/25/47/68/1304254768.db2.gz MVEHGWWUOFTXAA-HUUCEWRRSA-N 2 0 347.425 2.416 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(C#N)c1 ZINC000799597189 1305319636 /nfs/dbraw/zinc/31/96/36/1305319636.db2.gz LECUAOUZYIODAC-IBGZPJMESA-N 2 0 342.487 2.355 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115572990 1305396134 /nfs/dbraw/zinc/39/61/34/1305396134.db2.gz CLERWCGBFHNZBR-HNNXBMFYSA-N 2 0 327.900 2.488 20 30 EEEDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236083033 1305497426 /nfs/dbraw/zinc/49/74/26/1305497426.db2.gz LSQSOXBESYEDOM-UHFFFAOYSA-N 2 0 333.479 2.423 20 30 EEEDRP C=CC[NH2+]CCN(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236494843 1305587134 /nfs/dbraw/zinc/58/71/34/1305587134.db2.gz MSKLFJACOSXEER-UHFFFAOYSA-N 2 0 327.394 2.434 20 30 EEEDRP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121620305 1310074320 /nfs/dbraw/zinc/07/43/20/1310074320.db2.gz LLYVCOAPGSUBOD-UHFFFAOYSA-N 2 0 346.523 2.240 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001149881427 1316076513 /nfs/dbraw/zinc/07/65/13/1316076513.db2.gz NPYLWNMJBVYXEX-GOSISDBHSA-N 2 0 349.519 2.036 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150452628 1316268167 /nfs/dbraw/zinc/26/81/67/1316268167.db2.gz HLNYFTWHPFHKSJ-MSOLQXFVSA-N 2 0 339.524 2.136 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823873 1316892559 /nfs/dbraw/zinc/89/25/59/1316892559.db2.gz BTFQRMZDFMBBLQ-CXAGYDPISA-N 2 0 348.516 2.287 20 30 EEEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883966 1317777171 /nfs/dbraw/zinc/77/71/71/1317777171.db2.gz TXBAKXUPFMPEPH-QZTJIDSGSA-N 2 0 341.540 2.382 20 30 EEEDRP CC[NH+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156201302 1317918586 /nfs/dbraw/zinc/91/85/86/1317918586.db2.gz YVFYRRBDXMWQAF-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ncc(CC#N)cc3Cl)CC2)CC1 ZINC001157848147 1318903626 /nfs/dbraw/zinc/90/36/26/1318903626.db2.gz OJTTYEDUCYTVOM-UHFFFAOYSA-N 2 0 347.894 2.265 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001160267985 1320117354 /nfs/dbraw/zinc/11/73/54/1320117354.db2.gz RNJMFJCPOXGGHY-GOSISDBHSA-N 2 0 346.450 2.168 20 30 EEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161445424 1320503934 /nfs/dbraw/zinc/50/39/34/1320503934.db2.gz RTZYVDGZPSTITG-MOPGFXCFSA-N 2 0 329.488 2.165 20 30 EEEDRP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553537 1320536191 /nfs/dbraw/zinc/53/61/91/1320536191.db2.gz DKINNXSZDPPSDT-UHFFFAOYSA-N 2 0 349.519 2.059 20 30 EEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161598652 1320552723 /nfs/dbraw/zinc/55/27/23/1320552723.db2.gz OSPUTIYSUFMCDM-UHFFFAOYSA-N 2 0 349.519 2.202 20 30 EEEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001164449693 1321382233 /nfs/dbraw/zinc/38/22/33/1321382233.db2.gz QEBRBCUKYLLQKH-HNNXBMFYSA-N 2 0 348.516 2.338 20 30 EEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203615401 1321923526 /nfs/dbraw/zinc/92/35/26/1321923526.db2.gz OHHGTTMHYHYTQD-DLBZAZTESA-N 2 0 328.460 2.354 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678612 1323240623 /nfs/dbraw/zinc/24/06/23/1323240623.db2.gz MDUCEKQCYJBCGQ-FUHWJXTLSA-N 2 0 333.451 2.238 20 30 EEEDRP COC(=O)CC[N@@H+](CCCc1cccc(C#N)c1)CCC[NH+](C)C ZINC001208852406 1324691187 /nfs/dbraw/zinc/69/11/87/1324691187.db2.gz JETUCZPSIBJBMM-UHFFFAOYSA-N 2 0 331.460 2.308 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209939374 1325105094 /nfs/dbraw/zinc/10/50/94/1325105094.db2.gz DBEZTOIPFSWMPL-QZTJIDSGSA-N 2 0 337.508 2.034 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001100652078 1338600052 /nfs/dbraw/zinc/60/00/52/1338600052.db2.gz XKNKKLCBOZORND-CTWPCTMYSA-N 2 0 342.487 2.129 20 30 EEEDRP N#Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)cs1 ZINC001580059829 1344461580 /nfs/dbraw/zinc/46/15/80/1344461580.db2.gz LKVMHQRPLKQAMP-UHFFFAOYSA-N 2 0 326.469 2.315 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001112396944 1371430570 /nfs/dbraw/zinc/43/05/70/1371430570.db2.gz LSRDZZVEZDWPCX-DSKINZAPSA-N 2 0 343.515 2.245 20 30 EEEDRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001371869869 1375659706 /nfs/dbraw/zinc/65/97/06/1375659706.db2.gz PHQXVUYZCQULIC-DYVFJYSZSA-N 2 0 334.439 2.022 20 30 EEEDRP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C#N)s1 ZINC001377494003 1379295715 /nfs/dbraw/zinc/29/57/15/1379295715.db2.gz VRZJRSSUVRGBET-UHFFFAOYSA-N 2 0 348.516 2.432 20 30 EEEDRP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001378256579 1379826475 /nfs/dbraw/zinc/82/64/75/1379826475.db2.gz IWMNIEZCTOSOBV-WMZOPIPTSA-N 2 0 348.466 2.268 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001393390111 1390423690 /nfs/dbraw/zinc/42/36/90/1390423690.db2.gz KXDIMNFNTXUOQC-HOTGVXAUSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001752920702 1406548430 /nfs/dbraw/zinc/54/84/30/1406548430.db2.gz FCCXNGACSUXLIF-ROUUACIJSA-N 2 0 341.499 2.496 20 30 EEEDRP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001753749310 1406772234 /nfs/dbraw/zinc/77/22/34/1406772234.db2.gz HSQDVPIVLSVOAN-IBGZPJMESA-N 2 0 333.520 2.395 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001399941896 1395703318 /nfs/dbraw/zinc/70/33/18/1395703318.db2.gz WTDNUEGXYNXQER-RHSMWYFYSA-N 2 0 348.516 2.144 20 30 EEEDRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400916329 1396723162 /nfs/dbraw/zinc/72/31/62/1396723162.db2.gz LMALYVDCBOBOPC-OAHLLOKOSA-N 2 0 348.516 2.480 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001423663359 1400728119 /nfs/dbraw/zinc/72/81/19/1400728119.db2.gz WWUMKQVSYRUXBD-FQEVSTJZSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1)CC[NH2+]CC2 ZINC001576638030 1403594756 /nfs/dbraw/zinc/59/47/56/1403594756.db2.gz MTWZLHSTOZAOJL-OAHLLOKOSA-N 2 0 326.444 2.351 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CC2CC(C)C2)CC1 ZINC001753150135 1405817085 /nfs/dbraw/zinc/81/70/85/1405817085.db2.gz DSGZFAWMDFBOQP-UHFFFAOYSA-N 2 0 333.520 2.206 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001755463213 1407497160 /nfs/dbraw/zinc/49/71/60/1407497160.db2.gz ITBFLYHLEIBESK-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001755511042 1407561772 /nfs/dbraw/zinc/56/17/72/1407561772.db2.gz IJCDSPKEWPUUHU-MRXNPFEDSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001755685557 1407731752 /nfs/dbraw/zinc/73/17/52/1407731752.db2.gz ZAUVKJNJWXTHAM-HZPDHXFCSA-N 2 0 339.443 2.426 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]21 ZINC001755708188 1407761501 /nfs/dbraw/zinc/76/15/01/1407761501.db2.gz LEZWXQVGAWVBTM-DFQSSKMNSA-N 2 0 345.531 2.491 20 30 EEEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001167260929 757593871 /nfs/dbraw/zinc/59/38/71/757593871.db2.gz QONLTRARRQJKNB-INIZCTEOSA-N 2 0 348.516 2.336 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967350 782663083 /nfs/dbraw/zinc/66/30/83/782663083.db2.gz SYVQWMGNXSKGJA-QRVBRYPASA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967351 782663542 /nfs/dbraw/zinc/66/35/42/782663542.db2.gz SYVQWMGNXSKGJA-QYZOEREBSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000979710252 770922168 /nfs/dbraw/zinc/92/21/68/770922168.db2.gz KDJSKBRYSCCWHT-BZSNNMDCSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979712483 770929302 /nfs/dbraw/zinc/92/93/02/770929302.db2.gz MUFBCCJVTXLNPN-IPMKNSEASA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886662 774010178 /nfs/dbraw/zinc/01/01/78/774010178.db2.gz VQFJAJJUUDTOOD-IEBWSBKVSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779244 783186987 /nfs/dbraw/zinc/18/69/87/783186987.db2.gz LHFUAAQVEZEFHM-BHYGNILZSA-N 2 0 339.911 2.251 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734834 774811940 /nfs/dbraw/zinc/81/19/40/774811940.db2.gz YPZDTUAGMHIXPN-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991786751 790493906 /nfs/dbraw/zinc/49/39/06/790493906.db2.gz SPPMACXBLORUCZ-AZUAARDMSA-N 2 0 349.438 2.017 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001091377698 790505181 /nfs/dbraw/zinc/50/51/81/790505181.db2.gz ULSUYQXDKGKXIF-UHFFFAOYSA-N 2 0 345.531 2.252 20 30 EEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000997648936 790540759 /nfs/dbraw/zinc/54/07/59/790540759.db2.gz LHZKWBBAJZZIQT-BBRMVZONSA-N 2 0 330.476 2.226 20 30 EEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000981526797 777586670 /nfs/dbraw/zinc/58/66/70/777586670.db2.gz AFIPWALVTVGXRA-MOPGFXCFSA-N 2 0 340.471 2.171 20 30 EEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851639 778034454 /nfs/dbraw/zinc/03/44/54/778034454.db2.gz XMPUDLYCDGKWTJ-MANSERQUSA-N 2 0 331.504 2.073 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851583 778034779 /nfs/dbraw/zinc/03/47/79/778034779.db2.gz WWWSGCVLIQBYIJ-OKYOBFRVSA-N 2 0 331.504 2.073 20 30 EEEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000981768763 778184233 /nfs/dbraw/zinc/18/42/33/778184233.db2.gz RNYJLCCZZRSPEA-GOSISDBHSA-N 2 0 343.515 2.199 20 30 EEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333262 779752747 /nfs/dbraw/zinc/75/27/47/779752747.db2.gz YCFCGPNTZICDIO-RLLQIKCJSA-N 2 0 333.520 2.463 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995208712 781873766 /nfs/dbraw/zinc/87/37/66/781873766.db2.gz ILTBIVQXISZKNA-LSDHHAIUSA-N 2 0 346.500 2.090 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035197114 784030429 /nfs/dbraw/zinc/03/04/29/784030429.db2.gz ILYCSJRTVZDKDF-RBUKOAKNSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244111 784175037 /nfs/dbraw/zinc/17/50/37/784175037.db2.gz IXCXNWBRJQPUIC-OALUTQOASA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035721502 785016129 /nfs/dbraw/zinc/01/61/29/785016129.db2.gz AKSVMGXIASVICC-GOSISDBHSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035820657 785175947 /nfs/dbraw/zinc/17/59/47/785175947.db2.gz YYGLXMXUCOTNBG-UHFFFAOYSA-N 2 0 339.483 2.310 20 30 EEEDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC000996710403 787206413 /nfs/dbraw/zinc/20/64/13/787206413.db2.gz DEGBVBQZHRCUHN-GOSISDBHSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996761321 787396787 /nfs/dbraw/zinc/39/67/87/787396787.db2.gz FSQDMNNQYMPXMB-INIZCTEOSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001098825375 787871385 /nfs/dbraw/zinc/87/13/85/787871385.db2.gz CELYNEGXXLVGIF-ICSRJNTNSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652469 787991981 /nfs/dbraw/zinc/99/19/81/787991981.db2.gz WAIXDOOQRILNIV-UYAOXDASSA-N 2 0 331.504 2.247 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171120632 789040749 /nfs/dbraw/zinc/04/07/49/789040749.db2.gz OPSJDIGJNYBNKU-ROUUACIJSA-N 2 0 339.524 2.328 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)CN2CCCC[C@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000923282856 789295546 /nfs/dbraw/zinc/29/55/46/789295546.db2.gz UVJGOYWGXZNNAA-JQHSSLGASA-N 2 0 348.487 2.365 20 30 EEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001171198816 789938569 /nfs/dbraw/zinc/93/85/69/789938569.db2.gz QSLSPRHXLXMSSC-SNRMKQJTSA-N 2 0 342.487 2.068 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F)CC1 ZINC001146611634 791374479 /nfs/dbraw/zinc/37/44/79/791374479.db2.gz NDGIEINPTGLCFE-UONOGXRCSA-N 2 0 347.425 2.157 20 30 EEEDRP C=C(Cl)CN1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838598 792735647 /nfs/dbraw/zinc/73/56/47/792735647.db2.gz BOEIOFKGYMEECL-UHFFFAOYSA-N 2 0 325.884 2.149 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092296607 793811575 /nfs/dbraw/zinc/81/15/75/793811575.db2.gz LGWDRCFJYLWCFM-CTNGQTDRSA-N 2 0 339.483 2.165 20 30 EEEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418228 793989226 /nfs/dbraw/zinc/98/92/26/793989226.db2.gz FBKRFAZAIHDYNT-QZTJIDSGSA-N 2 0 339.524 2.257 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759377 794833817 /nfs/dbraw/zinc/83/38/17/794833817.db2.gz KZJSOHCMQDPUPH-HZPDHXFCSA-N 2 0 337.895 2.290 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093381093 795120922 /nfs/dbraw/zinc/12/09/22/795120922.db2.gz GOJCLIYYKHQTAC-PXNSSMCTSA-N 2 0 343.515 2.055 20 30 EEEDRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001000108105 795244857 /nfs/dbraw/zinc/24/48/57/795244857.db2.gz YMXLMSGWJJPMLJ-WMLDXEAASA-N 2 0 348.516 2.287 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC001127316797 795356588 /nfs/dbraw/zinc/35/65/88/795356588.db2.gz BGGFTMSGYUHVOP-UHFFFAOYSA-N 2 0 345.462 2.148 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430323 796221312 /nfs/dbraw/zinc/22/13/12/796221312.db2.gz LKNKQXIGKGFQMR-NLWGTHIKSA-N 2 0 331.504 2.245 20 30 EEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503263 796321874 /nfs/dbraw/zinc/32/18/74/796321874.db2.gz DYIQRZWRXDTCGB-SJLPKXTDSA-N 2 0 339.911 2.442 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001172297990 796963949 /nfs/dbraw/zinc/96/39/49/796963949.db2.gz BZQPVLXWMMAGOF-SNRMKQJTSA-N 2 0 342.487 2.068 20 30 EEEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001172498950 797009420 /nfs/dbraw/zinc/00/94/20/797009420.db2.gz PNHDNJIVCGLSIR-XUVXKRRUSA-N 2 0 348.535 2.330 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106840306 797240874 /nfs/dbraw/zinc/24/08/74/797240874.db2.gz GWDRSZZSZDFJRQ-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001175047792 797976489 /nfs/dbraw/zinc/97/64/89/797976489.db2.gz BWCOLOQKYVIUAF-HNNXBMFYSA-N 2 0 348.466 2.414 20 30 EEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262736 798060109 /nfs/dbraw/zinc/06/01/09/798060109.db2.gz LCTXVIFMIPSBNA-VQIMIIECSA-N 2 0 339.499 2.487 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176157173 798373436 /nfs/dbraw/zinc/37/34/36/798373436.db2.gz NTLPQCSTHUNDGI-SJORKVTESA-N 2 0 327.513 2.184 20 30 EEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404318 798411075 /nfs/dbraw/zinc/41/10/75/798411075.db2.gz VVQMMSYTKCPTBS-QZTJIDSGSA-N 2 0 333.520 2.204 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978586 798591203 /nfs/dbraw/zinc/59/12/03/798591203.db2.gz ZWCDODGHCOWEQU-QYZOEREBSA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176846011 798618318 /nfs/dbraw/zinc/61/83/18/798618318.db2.gz XDPPDYDPUROZEF-HUUCEWRRSA-N 2 0 346.450 2.166 20 30 EEEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176846010 798618369 /nfs/dbraw/zinc/61/83/69/798618369.db2.gz XDPPDYDPUROZEF-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c(F)c1 ZINC001176930883 798634251 /nfs/dbraw/zinc/63/42/51/798634251.db2.gz SIJNRFYNLFDMJH-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001112586047 806698322 /nfs/dbraw/zinc/69/83/22/806698322.db2.gz FCHXDTKNJAMOQU-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC=C)C2)CC1 ZINC001112584994 806704276 /nfs/dbraw/zinc/70/42/76/806704276.db2.gz TWRVJISLBKEPKC-FPOVZHCZSA-N 2 0 343.515 2.126 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001177484893 798977320 /nfs/dbraw/zinc/97/73/20/798977320.db2.gz MQTNKVSPVYOZSR-UHFFFAOYSA-N 2 0 333.520 2.494 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C12CCC2 ZINC001203356801 799483107 /nfs/dbraw/zinc/48/31/07/799483107.db2.gz BRQUYLWWYLSIGV-CVEARBPZSA-N 2 0 346.500 2.088 20 30 EEEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180259505 800336552 /nfs/dbraw/zinc/33/65/52/800336552.db2.gz ITPLBPMGGRULDD-CQSZACIVSA-N 2 0 346.313 2.113 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001183509491 801632772 /nfs/dbraw/zinc/63/27/72/801632772.db2.gz IWMILGDBKGFYAP-DYESRHJHSA-N 2 0 341.499 2.459 20 30 EEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004444843 802057543 /nfs/dbraw/zinc/05/75/43/802057543.db2.gz BMDHMOASKALZCA-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108073636 802119672 /nfs/dbraw/zinc/11/96/72/802119672.db2.gz ONZZZOJSAFPFJV-IBGZPJMESA-N 2 0 342.443 2.121 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004466366 802141271 /nfs/dbraw/zinc/14/12/71/802141271.db2.gz USQURRRMDMCPJL-OALUTQOASA-N 2 0 333.520 2.299 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633159 802469120 /nfs/dbraw/zinc/46/91/20/802469120.db2.gz KUENYTNSIHICTQ-BBWFWOEESA-N 2 0 341.927 2.496 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001005004894 803434772 /nfs/dbraw/zinc/43/47/72/803434772.db2.gz QHFPZEFYJUARGN-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1 ZINC001169075008 803604894 /nfs/dbraw/zinc/60/48/94/803604894.db2.gz FAHCOTPJDAHXFC-VQIMIIECSA-N 2 0 326.444 2.057 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001112964475 807715149 /nfs/dbraw/zinc/71/51/49/807715149.db2.gz XVRKURPGVDXCHW-IEBWSBKVSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001131666842 813095392 /nfs/dbraw/zinc/09/53/92/813095392.db2.gz SZCXUEUTILUCFP-MJGOQNOKSA-N 2 0 349.519 2.129 20 30 EEEDRP CC[C@@H](C(=O)NCCC[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001566508566 1125678612 /nfs/dbraw/zinc/67/86/12/1125678612.db2.gz IYEWQEDQJQZWBR-SFHVURJKSA-N 2 0 349.906 2.470 20 30 EEEDRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccccc1C#N ZINC001438326050 1090799910 /nfs/dbraw/zinc/79/99/10/1090799910.db2.gz NNEHDSLEZZMNEZ-GOSISDBHSA-N 2 0 340.471 2.171 20 30 EEEDRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001438499837 1090994687 /nfs/dbraw/zinc/99/46/87/1090994687.db2.gz QLNAHFXBFPXYIB-CQSZACIVSA-N 2 0 346.450 2.024 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001438880026 1091523994 /nfs/dbraw/zinc/52/39/94/1091523994.db2.gz SWUKATRCJKCWQI-IBGZPJMESA-N 2 0 342.487 2.323 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC001441591063 1095421456 /nfs/dbraw/zinc/42/14/56/1095421456.db2.gz VNKVKHXAMOGWFU-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001444521153 1099271283 /nfs/dbraw/zinc/27/12/83/1099271283.db2.gz AWCUQQJOMCACGC-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480536570 1100366299 /nfs/dbraw/zinc/36/62/99/1100366299.db2.gz IHPJRQYDOSMIFH-OAHLLOKOSA-N 2 0 330.476 2.130 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496192816 1102196866 /nfs/dbraw/zinc/19/68/66/1102196866.db2.gz FABRBTCMOPWWCN-OAHLLOKOSA-N 2 0 348.516 2.288 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001507328500 1115195257 /nfs/dbraw/zinc/19/52/57/1115195257.db2.gz PHHHMHAJKTVHTA-RHSMWYFYSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+]=C(NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)NC1CC1 ZINC000103337861 530039177 /nfs/dbraw/zinc/03/91/77/530039177.db2.gz XBZKLKLHEJBNAW-UHFFFAOYSA-N 2 0 343.519 2.225 20 30 EEEDRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)CC[NH2+]CC1 ZINC000423021951 240332091 /nfs/dbraw/zinc/33/20/91/240332091.db2.gz DBSWVQVUJMKPEQ-OAHLLOKOSA-N 2 0 341.455 2.458 20 30 EEEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442767271 242110174 /nfs/dbraw/zinc/11/01/74/242110174.db2.gz MJWMXKLUBYWLTP-SJLPKXTDSA-N 2 0 331.460 2.425 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396960 781985525 /nfs/dbraw/zinc/98/55/25/781985525.db2.gz ZTOJWHVDDCQFRJ-FQEVSTJZSA-N 2 0 345.531 2.443 20 30 EEEDRP CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000344012937 161189900 /nfs/dbraw/zinc/18/99/00/161189900.db2.gz JKQIFPAXPKFDEF-FQEVSTJZSA-N 2 0 326.488 2.452 20 30 EEEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)C1 ZINC000104162872 533695208 /nfs/dbraw/zinc/69/52/08/533695208.db2.gz XWZLTCKJWACDNK-MRXNPFEDSA-N 2 0 330.476 2.065 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000558753983 318730371 /nfs/dbraw/zinc/73/03/71/318730371.db2.gz YBLVGUTZSHLJEJ-ZHALLVOQSA-N 2 0 345.487 2.256 20 30 EEEDRP C=CC[C@H](CO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000341260771 465081444 /nfs/dbraw/zinc/08/14/44/465081444.db2.gz CFLNDBUDQAFQPY-KRWDZBQOSA-N 2 0 331.504 2.491 20 30 EEEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185812052 463884306 /nfs/dbraw/zinc/88/43/06/463884306.db2.gz OAUBIIMXTBFDEA-CRAIPNDOSA-N 2 0 328.460 2.150 20 30 EEEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261937460 463905776 /nfs/dbraw/zinc/90/57/76/463905776.db2.gz CSXZXGBFPUVKBN-RDJZCZTQSA-N 2 0 342.491 2.036 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000290869354 464135516 /nfs/dbraw/zinc/13/55/16/464135516.db2.gz AUNAAFXONKRCAV-HOTGVXAUSA-N 2 0 347.482 2.041 20 30 EEEDRP [NH2+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NC1CCCC1 ZINC000264115503 464285367 /nfs/dbraw/zinc/28/53/67/464285367.db2.gz SKNHZQMYLBLJAU-UHFFFAOYSA-N 2 0 343.519 2.436 20 30 EEEDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181689208 464521773 /nfs/dbraw/zinc/52/17/73/464521773.db2.gz LRMBTIMEVGLCTL-DLBZAZTESA-N 2 0 330.476 2.123 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCc1cccc(CNC(=[NH2+])N[C@@H](C)CC)c1 ZINC000274157138 464735332 /nfs/dbraw/zinc/73/53/32/464735332.db2.gz DSSUWHXTHZIVTE-KBPBESRZSA-N 2 0 332.496 2.092 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343756533 465550137 /nfs/dbraw/zinc/55/01/37/465550137.db2.gz YYYPXPWBQJLVGE-YLJYHZDGSA-N 2 0 326.488 2.210 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000341099955 466584034 /nfs/dbraw/zinc/58/40/34/466584034.db2.gz MMWKYPAJKKPUBP-SFHVURJKSA-N 2 0 334.508 2.297 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424152068 466991425 /nfs/dbraw/zinc/99/14/25/466991425.db2.gz IBKZRIQVUNICJG-BPQIPLTHSA-N 2 0 328.460 2.177 20 30 EEEDRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424153238 466991839 /nfs/dbraw/zinc/99/18/39/466991839.db2.gz JVTVZUNSRIATPI-CRAIPNDOSA-N 2 0 328.460 2.349 20 30 EEEDRP CC[NH+](CC)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378501385 467324070 /nfs/dbraw/zinc/32/40/70/467324070.db2.gz ZLOHZNSYMUTKGJ-UHFFFAOYSA-N 2 0 328.460 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000490589249 468222220 /nfs/dbraw/zinc/22/22/20/468222220.db2.gz AFNXGALHUUJMMB-LMMKCTJWSA-N 2 0 331.504 2.195 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582487581 468548054 /nfs/dbraw/zinc/54/80/54/468548054.db2.gz GGTIKGJZSAUWEI-UHFFFAOYSA-N 2 0 326.448 2.153 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659450372 471634611 /nfs/dbraw/zinc/63/46/11/471634611.db2.gz NJTSEDFOEAQKBG-KRWDZBQOSA-N 2 0 334.508 2.058 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415933575 526595117 /nfs/dbraw/zinc/59/51/17/526595117.db2.gz GBLTYYNBEMCNJS-UHFFFAOYSA-N 2 0 332.448 2.186 20 30 EEEDRP CC(=NNCC[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000743531254 577886786 /nfs/dbraw/zinc/88/67/86/577886786.db2.gz NAWQOGMKHVCPLI-UHFFFAOYSA-N 2 0 332.492 2.427 20 30 EEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683365 675166261 /nfs/dbraw/zinc/16/62/61/675166261.db2.gz ZGJBHCAWOPPUCV-IRXDYDNUSA-N 2 0 331.504 2.101 20 30 EEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832113 675236704 /nfs/dbraw/zinc/23/67/04/675236704.db2.gz DWKHIJLUENGQAQ-APWZRJJASA-N 2 0 349.519 2.033 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC4CC4)CC[C@@H]32)CC1 ZINC001021738889 676397114 /nfs/dbraw/zinc/39/71/14/676397114.db2.gz DLKXWODBCHJCEX-PMACEKPBSA-N 2 0 343.515 2.055 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)CCC1 ZINC000971673217 676732386 /nfs/dbraw/zinc/73/23/86/676732386.db2.gz CYRJSXXJISEUPU-SFHVURJKSA-N 2 0 340.471 2.075 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971705592 676748477 /nfs/dbraw/zinc/74/84/77/676748477.db2.gz FPGXJKXVUWHIBN-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+]1CCCC1 ZINC001022534597 677831370 /nfs/dbraw/zinc/83/13/70/677831370.db2.gz XVJSSNPEMGNJTQ-OKILXGFUSA-N 2 0 346.500 2.231 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001022717104 678320336 /nfs/dbraw/zinc/32/03/36/678320336.db2.gz PLZAVUBSOLSTJB-HDICACEKSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553123 679374261 /nfs/dbraw/zinc/37/42/61/679374261.db2.gz VWNGVYWHPHFLFS-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001023761853 679566757 /nfs/dbraw/zinc/56/67/57/679566757.db2.gz KQOVNETXWCYURH-GOSISDBHSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028603596 681359484 /nfs/dbraw/zinc/35/94/84/681359484.db2.gz DUHRILZHILRGGX-MJGOQNOKSA-N 2 0 343.515 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)C2)CC1 ZINC001025168849 682140012 /nfs/dbraw/zinc/14/00/12/682140012.db2.gz ZGHHECRGGAPEHZ-AFMYVXGZSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(CN(C)C)on1 ZINC001025246781 682315632 /nfs/dbraw/zinc/31/56/32/682315632.db2.gz ZGYDWSWLIJZADR-ZWKOTPCHSA-N 2 0 346.475 2.381 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000992756469 683394160 /nfs/dbraw/zinc/39/41/60/683394160.db2.gz MWLAFOAMQFUGKW-FGTMMUONSA-N 2 0 331.504 2.408 20 30 EEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C(C)(C)C1 ZINC000974598899 685113911 /nfs/dbraw/zinc/11/39/11/685113911.db2.gz KRIRMIGYLIMWJJ-IAGOWNOFSA-N 2 0 345.491 2.193 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000262398919 685777856 /nfs/dbraw/zinc/77/78/56/685777856.db2.gz NIQHHCYTRQLQRK-RCCFBDPRSA-N 2 0 348.535 2.372 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432123 686709240 /nfs/dbraw/zinc/70/92/40/686709240.db2.gz DKXMSESVOOCCLS-INIZCTEOSA-N 2 0 325.884 2.004 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989170486 691491163 /nfs/dbraw/zinc/49/11/63/691491163.db2.gz OUBGMSSVACHGNK-HUUCEWRRSA-N 2 0 325.416 2.036 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000989170490 691491374 /nfs/dbraw/zinc/49/13/74/691491374.db2.gz OUBGMSSVACHGNK-LSDHHAIUSA-N 2 0 325.416 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C[C@H]2C)CC1 ZINC000989829034 692371934 /nfs/dbraw/zinc/37/19/34/692371934.db2.gz NHSSFHABJKWSQT-YLJYHZDGSA-N 2 0 343.515 2.411 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622895 692857785 /nfs/dbraw/zinc/85/77/85/692857785.db2.gz UGQKJYRAXOESDM-GOSISDBHSA-N 2 0 327.472 2.212 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978243845 693421828 /nfs/dbraw/zinc/42/18/28/693421828.db2.gz BIDQAOHRAJTABE-CADBVGFASA-N 2 0 333.520 2.225 20 30 EEEDRP C=C(Cl)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990763637 693627214 /nfs/dbraw/zinc/62/72/14/693627214.db2.gz OLGTUXVRCIQABO-AIANPOQGSA-N 2 0 325.884 2.192 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C2)CC1 ZINC001107034361 1192865591 /nfs/dbraw/zinc/86/55/91/1192865591.db2.gz WYYZJYUBIUOYMZ-IEBWSBKVSA-N 2 0 333.520 2.062 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001107038655 1192975792 /nfs/dbraw/zinc/97/57/92/1192975792.db2.gz BYQTWOWRHAYHOC-HUUCEWRRSA-N 2 0 348.516 2.144 20 30 EEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001271954281 1186705084 /nfs/dbraw/zinc/70/50/84/1186705084.db2.gz UQMYLSPSRLFMGE-UHFFFAOYSA-N 2 0 342.487 2.091 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876636 1186753993 /nfs/dbraw/zinc/75/39/93/1186753993.db2.gz UMXNSQSTPSIWPH-GBESFXJTSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001105435312 1187066461 /nfs/dbraw/zinc/06/64/61/1187066461.db2.gz HYWCCXLOBPLLGU-PUZFROQSSA-N 2 0 329.488 2.320 20 30 EEEDRP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001105461954 1187526543 /nfs/dbraw/zinc/52/65/43/1187526543.db2.gz CPUHUZCUMIOEDN-FDYSRKEFSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105560872 1188177440 /nfs/dbraw/zinc/17/74/40/1188177440.db2.gz DWAPZVOQPQYEBG-SFHVURJKSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105561703 1188178248 /nfs/dbraw/zinc/17/82/48/1188178248.db2.gz PRIYBRVJMUAHOP-MSOLQXFVSA-N 2 0 331.504 2.245 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483227574 1189506518 /nfs/dbraw/zinc/50/65/18/1189506518.db2.gz LMEUUCAQTHPUNE-INIZCTEOSA-N 2 0 342.487 2.417 20 30 EEEDRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033777022 1195261079 /nfs/dbraw/zinc/26/10/79/1195261079.db2.gz SFJWFFPAKZGDMQ-RBUKOAKNSA-N 2 0 340.471 2.075 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248831 1195982591 /nfs/dbraw/zinc/98/25/91/1195982591.db2.gz FYKZFLIYEPUYDB-PKOBYXMFSA-N 2 0 331.504 2.387 20 30 EEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240420 1195990645 /nfs/dbraw/zinc/99/06/45/1195990645.db2.gz IEQXIVIHTFFDJV-PKOBYXMFSA-N 2 0 349.519 2.177 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC001410854003 1198505592 /nfs/dbraw/zinc/50/55/92/1198505592.db2.gz LAYMPZCBFGJBOI-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132832232 1200096122 /nfs/dbraw/zinc/09/61/22/1200096122.db2.gz UDQHPURSLULSST-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064310 1200387281 /nfs/dbraw/zinc/38/72/81/1200387281.db2.gz LYHHBDMXKKCWEZ-RDJZCZTQSA-N 2 0 331.460 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCC(C)C)C2)CC1 ZINC001133336785 1200759947 /nfs/dbraw/zinc/75/99/47/1200759947.db2.gz FOEWVORVALHNHO-ICSRJNTNSA-N 2 0 347.547 2.452 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133338145 1200762163 /nfs/dbraw/zinc/76/21/63/1200762163.db2.gz SERPXSHUVLXOSO-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C[C@@H](C#N)OCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000886389633 1202499943 /nfs/dbraw/zinc/49/99/43/1202499943.db2.gz RLGUJXJLXXOZHL-XSLAGTTESA-N 2 0 336.480 2.019 20 30 EEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000887132378 1204213024 /nfs/dbraw/zinc/21/30/24/1204213024.db2.gz DUPUGKFCGOWIAC-INIZCTEOSA-N 2 0 349.438 2.493 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574984 1209231374 /nfs/dbraw/zinc/23/13/74/1209231374.db2.gz NLYBNOCOKZPHMV-MOPGFXCFSA-N 2 0 333.520 2.443 20 30 EEEDRP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000948952966 1209471743 /nfs/dbraw/zinc/47/17/43/1209471743.db2.gz BDEBQDUDBLCRFI-FQEVSTJZSA-N 2 0 339.483 2.067 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CCO2 ZINC000949089154 1209531531 /nfs/dbraw/zinc/53/15/31/1209531531.db2.gz BEQHTXQMOOWUPU-SFHVURJKSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC000949115153 1209541237 /nfs/dbraw/zinc/54/12/37/1209541237.db2.gz UFOKRWLRCPHELP-UHFFFAOYSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000949379023 1209657638 /nfs/dbraw/zinc/65/76/38/1209657638.db2.gz KFEXIZREFLMNTF-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561226 1215211948 /nfs/dbraw/zinc/21/19/48/1215211948.db2.gz LCCHYYHCNJBQLM-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)CC[NH+](CCF)CC3)CC1 ZINC000957647325 1215294860 /nfs/dbraw/zinc/29/48/60/1215294860.db2.gz CBFQHWUIJANABI-UHFFFAOYSA-N 2 0 349.494 2.006 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000304781403 1216105406 /nfs/dbraw/zinc/10/54/06/1216105406.db2.gz GGHYYSZWICFZHY-UKRRQHHQSA-N 2 0 338.883 2.496 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)CC1 ZINC000962808184 1216106411 /nfs/dbraw/zinc/10/64/11/1216106411.db2.gz KTFHYFNNZGVWMK-UHFFFAOYSA-N 2 0 345.531 2.396 20 30 EEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000960298921 1216480450 /nfs/dbraw/zinc/48/04/50/1216480450.db2.gz GFNRZCWHUPMSRL-IAAVTCLWSA-N 2 0 327.472 2.275 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)C2)CC1 ZINC000961027512 1217013497 /nfs/dbraw/zinc/01/34/97/1217013497.db2.gz NKFLDJDSFYLDBG-AFMYVXGZSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961373551 1217163052 /nfs/dbraw/zinc/16/30/52/1217163052.db2.gz HSNWQJVWYZQYMF-MOPGFXCFSA-N 2 0 333.520 2.156 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961433190 1217187943 /nfs/dbraw/zinc/18/79/43/1217187943.db2.gz UKSRIRSYKMPXIU-ICSRJNTNSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962970092 1217310323 /nfs/dbraw/zinc/31/03/23/1217310323.db2.gz GMOXQWNMHVUJDE-VQFNDLOPSA-N 2 0 331.460 2.358 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961771098 1217321243 /nfs/dbraw/zinc/32/12/43/1217321243.db2.gz JNTKYAKGADCPQY-BWTSREIZSA-N 2 0 327.472 2.027 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364964 1217561058 /nfs/dbraw/zinc/56/10/58/1217561058.db2.gz DRMMHQFAPWFQKF-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963801341 1218045544 /nfs/dbraw/zinc/04/55/44/1218045544.db2.gz RMNPZVOSOMBYHI-VCMYPUNYSA-N 2 0 331.504 2.454 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=C)C)[C@H](CC)C2)CC1 ZINC001037986268 1220919766 /nfs/dbraw/zinc/91/97/66/1220919766.db2.gz ZTORJCWNMMOYEH-MJGOQNOKSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001009630507 1223310256 /nfs/dbraw/zinc/31/02/56/1223310256.db2.gz WYEMXVZGAIYAJL-IBGZPJMESA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016642594 1226718616 /nfs/dbraw/zinc/71/86/16/1226718616.db2.gz FICNDEZJVLAMSM-MRXNPFEDSA-N 2 0 345.512 2.417 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001039251247 1230487782 /nfs/dbraw/zinc/48/77/82/1230487782.db2.gz QYBFMEYBQJGAKO-OALUTQOASA-N 2 0 349.494 2.004 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542717 1231283865 /nfs/dbraw/zinc/28/38/65/1231283865.db2.gz CUPQBRMGNNBEKB-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040722702 1231348586 /nfs/dbraw/zinc/34/85/86/1231348586.db2.gz DRMKTZZBLSBXHA-GOSISDBHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001040822246 1231380196 /nfs/dbraw/zinc/38/01/96/1231380196.db2.gz CVXNYVJALNEIFK-UHFFFAOYSA-N 2 0 331.460 2.455 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041288488 1231496859 /nfs/dbraw/zinc/49/68/59/1231496859.db2.gz XGABIMVQOCZTRM-WIYYLYMNSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591143 1231613239 /nfs/dbraw/zinc/61/32/39/1231613239.db2.gz WHUQFIIFBYBJLD-PZJWPPBQSA-N 2 0 343.515 2.341 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC4CCC4)C3)C2)CC1 ZINC001041844553 1231728402 /nfs/dbraw/zinc/72/84/02/1231728402.db2.gz KWJBJMZGLIECDB-NRFANRHFSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCC)[C@@H]3C2)CC1 ZINC001042368219 1232050484 /nfs/dbraw/zinc/05/04/84/1232050484.db2.gz OVKZJCWIJQICNN-IEBWSBKVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC001044872261 1233332058 /nfs/dbraw/zinc/33/20/58/1233332058.db2.gz OYKGASCNVYVLAF-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941296 1234198686 /nfs/dbraw/zinc/19/86/86/1234198686.db2.gz IPSLVIXIPAJONW-CTNGQTDRSA-N 2 0 343.515 2.056 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972037 1234256240 /nfs/dbraw/zinc/25/62/40/1234256240.db2.gz VHHXHWVCTOTDAV-NRFANRHFSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158550 1240009404 /nfs/dbraw/zinc/00/94/04/1240009404.db2.gz UQLHXIXHZNJESW-ZWKOTPCHSA-N 2 0 331.504 2.101 20 30 EEEDRP N#CC1(CCCC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903742019 1241800532 /nfs/dbraw/zinc/80/05/32/1241800532.db2.gz ULQMEVBPDOFNRH-ZWKOTPCHSA-N 2 0 346.519 2.431 20 30 EEEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001353948 1242118540 /nfs/dbraw/zinc/11/85/40/1242118540.db2.gz NYRXGNUFLFEJFL-IBGZPJMESA-N 2 0 331.504 2.413 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821031 1242307468 /nfs/dbraw/zinc/30/74/68/1242307468.db2.gz QXTNCTTWIBMIHZ-MOPGFXCFSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C/C=C/Cl)CC1 ZINC001049920256 1242713949 /nfs/dbraw/zinc/71/39/49/1242713949.db2.gz RCUMWNOWEBPEQT-QLIIXQJQSA-N 2 0 349.906 2.149 20 30 EEEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cccc2C1 ZINC001051300562 1245501246 /nfs/dbraw/zinc/50/12/46/1245501246.db2.gz XFXNGTCKNUIGKA-DNVCBOLYSA-N 2 0 327.472 2.045 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001101547928 1245952577 /nfs/dbraw/zinc/95/25/77/1245952577.db2.gz WDDLGAHGXJVCRP-UHFFFAOYSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101574863 1245979470 /nfs/dbraw/zinc/97/94/70/1245979470.db2.gz HGZFIUDHBNSPGO-AEFFLSMTSA-N 2 0 333.520 2.062 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001054035291 1247187466 /nfs/dbraw/zinc/18/74/66/1247187466.db2.gz JCCNRGZQKNFZCB-MOPGFXCFSA-N 2 0 327.472 2.200 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159759 1247565566 /nfs/dbraw/zinc/56/55/66/1247565566.db2.gz YWKAUANLGASBCV-QUCCMNQESA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219102 1247749199 /nfs/dbraw/zinc/74/91/99/1247749199.db2.gz GXBHRDNNXJGIHT-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP CC#CCN1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270730 1247958680 /nfs/dbraw/zinc/95/86/80/1247958680.db2.gz YHYLVUXJVAOHDF-IBGZPJMESA-N 2 0 325.456 2.126 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200894639 1287210941 /nfs/dbraw/zinc/21/09/41/1287210941.db2.gz OIXOQKVKYJMPSS-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185740403 1278768165 /nfs/dbraw/zinc/76/81/65/1278768165.db2.gz BUVISHSNLZCQNZ-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001134762534 1278012205 /nfs/dbraw/zinc/01/22/05/1278012205.db2.gz AZDJLKCPDYQYAA-MRXNPFEDSA-N 2 0 334.489 2.088 20 30 EEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408119 1282474684 /nfs/dbraw/zinc/47/46/84/1282474684.db2.gz DPENIAOAFCIUQM-QUCCMNQESA-N 2 0 327.472 2.019 20 30 EEEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488237 1282530871 /nfs/dbraw/zinc/53/08/71/1282530871.db2.gz NLIIKWGZOMVHQV-QGZVFWFLSA-N 2 0 327.513 2.068 20 30 EEEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001193571935 1282570396 /nfs/dbraw/zinc/57/03/96/1282570396.db2.gz YKRNNDYKPCHPPO-HXUWFJFHSA-N 2 0 341.499 2.303 20 30 EEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203296483 1282884365 /nfs/dbraw/zinc/88/43/65/1282884365.db2.gz PFELNQWLIFVCJE-HXUWFJFHSA-N 2 0 327.472 2.067 20 30 EEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198985544 1285473323 /nfs/dbraw/zinc/47/33/23/1285473323.db2.gz ZPZYPWAURCQHHP-SJLPKXTDSA-N 2 0 345.487 2.360 20 30 EEEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462453 1297100065 /nfs/dbraw/zinc/10/00/65/1297100065.db2.gz SGNPBXAJAQMBPZ-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490711 1297191157 /nfs/dbraw/zinc/19/11/57/1297191157.db2.gz LAVPSPKQJKLTRJ-TZMCWYRMSA-N 2 0 346.313 2.063 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052227 1297919578 /nfs/dbraw/zinc/91/95/78/1297919578.db2.gz NESLKXUEGDUNDP-GBESFXJTSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220785922 1298539070 /nfs/dbraw/zinc/53/90/70/1298539070.db2.gz GWHGGVFONIMADV-BZSNNMDCSA-N 2 0 330.476 2.312 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001220868674 1298565479 /nfs/dbraw/zinc/56/54/79/1298565479.db2.gz OONMZENTMXIPGT-PZJWPPBQSA-N 2 0 341.499 2.366 20 30 EEEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001099555686 1299217613 /nfs/dbraw/zinc/21/76/13/1299217613.db2.gz BROCSMXZJQVDOR-MUGJNUQGSA-N 2 0 343.515 2.055 20 30 EEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099570550 1299233205 /nfs/dbraw/zinc/23/32/05/1299233205.db2.gz RTJGRZNJLOXHFN-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCC(C)C)[C@H]2C1 ZINC001222913836 1299918465 /nfs/dbraw/zinc/91/84/65/1299918465.db2.gz XNXRNPVOLZZCFX-AABGKKOBSA-N 2 0 345.531 2.443 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001225577289 1301071605 /nfs/dbraw/zinc/07/16/05/1301071605.db2.gz CLLHCLNOAYRENX-UHFFFAOYSA-N 2 0 348.516 2.288 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227483852 1301849819 /nfs/dbraw/zinc/84/98/19/1301849819.db2.gz WKRZJOQQTAMQNV-QZTJIDSGSA-N 2 0 342.443 2.168 20 30 EEEDRP C[NH+](C)CC#CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001228042436 1302070231 /nfs/dbraw/zinc/07/02/31/1302070231.db2.gz HINFPBTYKVOASV-LJQANCHMSA-N 2 0 342.487 2.078 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395770 1302903863 /nfs/dbraw/zinc/90/38/63/1302903863.db2.gz LDAXENABUOOSMQ-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190289 1304310679 /nfs/dbraw/zinc/31/06/79/1304310679.db2.gz UJJSXDNGWBEKKD-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP N#Cc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccn1 ZINC001237458981 1305942382 /nfs/dbraw/zinc/94/23/82/1305942382.db2.gz DYIITSRUNIXLGJ-UHFFFAOYSA-N 2 0 328.460 2.278 20 30 EEEDRP N#Cc1cc(-c2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)cc(C2C[NH2+]C2)c1 ZINC001240345989 1309308317 /nfs/dbraw/zinc/30/83/17/1309308317.db2.gz XEUOVEZNGLNLNE-GOSISDBHSA-N 2 0 344.422 2.379 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122328895 1310261398 /nfs/dbraw/zinc/26/13/98/1310261398.db2.gz YSLHMLGEUHSERP-ROUUACIJSA-N 2 0 332.492 2.155 20 30 EEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246519141 1310330728 /nfs/dbraw/zinc/33/07/28/1310330728.db2.gz MZAWNSNPDDEPOU-APWZRJJASA-N 2 0 342.487 2.199 20 30 EEEDRP C#CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000830343317 1314533894 /nfs/dbraw/zinc/53/38/94/1314533894.db2.gz SLAJYYFOPFLLDD-FXAWDEMLSA-N 2 0 339.483 2.111 20 30 EEEDRP C#CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000839539581 1315213107 /nfs/dbraw/zinc/21/31/07/1315213107.db2.gz CMTVGTWGPCXDEP-LJQANCHMSA-N 2 0 327.472 2.330 20 30 EEEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715172 1316023019 /nfs/dbraw/zinc/02/30/19/1316023019.db2.gz OQVZYQPZIBGOMC-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150300008 1316230608 /nfs/dbraw/zinc/23/06/08/1316230608.db2.gz XAEIHSZJVIJMCH-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001151186612 1316469527 /nfs/dbraw/zinc/46/95/27/1316469527.db2.gz ISCZFSCQSLDREP-UHFFFAOYSA-N 2 0 342.443 2.121 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC001152334601 1316658031 /nfs/dbraw/zinc/65/80/31/1316658031.db2.gz KAVIBVLDELCRMN-HNNXBMFYSA-N 2 0 347.890 2.452 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC001152334640 1316658100 /nfs/dbraw/zinc/65/81/00/1316658100.db2.gz LUTYNKNHFRWYTJ-CQSZACIVSA-N 2 0 349.425 2.077 20 30 EEEDRP C=CCC[C@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252598770 1317644474 /nfs/dbraw/zinc/64/44/74/1317644474.db2.gz QUDHEOPYXWZHTG-SFHVURJKSA-N 2 0 332.492 2.054 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491470 1320174758 /nfs/dbraw/zinc/17/47/58/1320174758.db2.gz DFTSNBDLHMFPDH-UHFFFAOYSA-N 2 0 329.488 2.024 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383428 1320482525 /nfs/dbraw/zinc/48/25/25/1320482525.db2.gz XNUDKUIOMMJUBO-GOSISDBHSA-N 2 0 331.504 2.413 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)(COC)CC1 ZINC001162533781 1320888940 /nfs/dbraw/zinc/88/89/40/1320888940.db2.gz STYVTTHTXQWRLM-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1c2c(cnc1N1CC[NH2+][C@@H](Cc3ccccc3)C1)C[NH2+]CCC2 ZINC001164603517 1321431566 /nfs/dbraw/zinc/43/15/66/1321431566.db2.gz MBPGEIMYWWYOKO-SFHVURJKSA-N 2 0 347.466 2.010 20 30 EEEDRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001165361183 1321508952 /nfs/dbraw/zinc/50/89/52/1321508952.db2.gz ZYXHNZZRZILGIT-UHFFFAOYSA-N 2 0 335.879 2.129 20 30 EEEDRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F)[NH+](CC)CC ZINC001166432966 1321719230 /nfs/dbraw/zinc/71/92/30/1321719230.db2.gz RTMKTPMSLBKZSO-GOSISDBHSA-N 2 0 348.466 2.414 20 30 EEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461054 1323146598 /nfs/dbraw/zinc/14/65/98/1323146598.db2.gz DZHNIVKMNZUVTE-LJQANCHMSA-N 2 0 331.504 2.245 20 30 EEEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206467841 1323503248 /nfs/dbraw/zinc/50/32/48/1323503248.db2.gz BCZHPCRCURIUAW-FXAWDEMLSA-N 2 0 336.439 2.078 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206948904 1323734132 /nfs/dbraw/zinc/73/41/32/1323734132.db2.gz IKVOLNJQASQYOY-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCC(=C)C)CC2)CC1 ZINC001206948802 1323734506 /nfs/dbraw/zinc/73/45/06/1323734506.db2.gz BTOFFDGWQBHKLP-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208048268 1324287047 /nfs/dbraw/zinc/28/70/47/1324287047.db2.gz FSFOZECIIVQNMM-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCCCCCN1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001209424052 1324930226 /nfs/dbraw/zinc/93/02/26/1324930226.db2.gz ILJWGVXCZGJTTF-UHFFFAOYSA-N 2 0 341.459 2.440 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001210788597 1325433371 /nfs/dbraw/zinc/43/33/71/1325433371.db2.gz GBOGRVQNJGUOQU-LJQANCHMSA-N 2 0 345.462 2.100 20 30 EEEDRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001575311518 1343773224 /nfs/dbraw/zinc/77/32/24/1343773224.db2.gz XIIYZMSNFTYJSG-GOSISDBHSA-N 2 0 345.487 2.189 20 30 EEEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001161219762 1372922573 /nfs/dbraw/zinc/92/25/73/1372922573.db2.gz OOMCEMXPMVTYNG-UHFFFAOYSA-N 2 0 341.499 2.485 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001367776563 1374258575 /nfs/dbraw/zinc/25/85/75/1374258575.db2.gz OUJLGKIMKSGCLE-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001374379480 1376749837 /nfs/dbraw/zinc/74/98/37/1376749837.db2.gz CYHOVGMQGZOWDM-GXTWGEPZSA-N 2 0 346.313 2.063 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001380981887 1381480148 /nfs/dbraw/zinc/48/01/48/1381480148.db2.gz MMGCEGCQLIBVMG-IBGZPJMESA-N 2 0 344.503 2.425 20 30 EEEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001752655629 1406329531 /nfs/dbraw/zinc/32/95/31/1406329531.db2.gz UZPOSFXRAMHYJJ-LNLFQRSKSA-N 2 0 349.519 2.223 20 30 EEEDRP CN(CCC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CC[NH+](C)CC1 ZINC001393630807 1390502480 /nfs/dbraw/zinc/50/24/80/1390502480.db2.gz NZCSWAPCGDTQDA-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001394862441 1390760495 /nfs/dbraw/zinc/76/04/95/1390760495.db2.gz MLRGFXJRHUVMJG-HTWSVDAQSA-N 2 0 346.450 2.117 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001398838908 1394222545 /nfs/dbraw/zinc/22/25/45/1394222545.db2.gz LADSGJDXRFDFCM-UHFFFAOYSA-N 2 0 342.487 2.417 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001400202721 1396047242 /nfs/dbraw/zinc/04/72/42/1396047242.db2.gz LDVAKECPKRDFOW-LJQANCHMSA-N 2 0 342.487 2.228 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001402983745 1398304608 /nfs/dbraw/zinc/30/46/08/1398304608.db2.gz XNGQFOBEXIBEEV-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001754947232 1407009293 /nfs/dbraw/zinc/00/92/93/1407009293.db2.gz IBEZRLMUIJKPOR-KRWDZBQOSA-N 2 0 339.483 2.463 20 30 EEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001755010486 1407029062 /nfs/dbraw/zinc/02/90/62/1407029062.db2.gz FJAMHMNGIOJFDT-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586557 1400052365 /nfs/dbraw/zinc/05/23/65/1400052365.db2.gz BCMSKHHKDJOJBD-MAUKXSAKSA-N 2 0 330.476 2.081 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001423332156 1400528501 /nfs/dbraw/zinc/52/85/01/1400528501.db2.gz VNDYZAXHGZPCHX-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001424198685 1400964280 /nfs/dbraw/zinc/96/42/80/1400964280.db2.gz TZTWQULZIAUUPX-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755360159 1407357776 /nfs/dbraw/zinc/35/77/76/1407357776.db2.gz SEPMSAFAJZYQMS-VQIMIIECSA-N 2 0 339.499 2.487 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC(CC)CC)C2)CC1 ZINC001755483862 1407518456 /nfs/dbraw/zinc/51/84/56/1407518456.db2.gz YYKJJJMQEYUKAX-UAPYVXQJSA-N 2 0 333.520 2.252 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001755663494 1407713957 /nfs/dbraw/zinc/71/39/57/1407713957.db2.gz LFAJEIFKQPZOFG-KGLIPLIRSA-N 2 0 346.313 2.206 20 30 EEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H](F)C[NH+](CC)CC)CC2)CC1 ZINC001755868696 1407920989 /nfs/dbraw/zinc/92/09/89/1407920989.db2.gz DALCYQXBMXEDSY-MRXNPFEDSA-N 2 0 325.472 2.213 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648248 1411041661 /nfs/dbraw/zinc/04/16/61/1411041661.db2.gz HKHYFEOEDHURCH-GOSISDBHSA-N 2 0 331.504 2.293 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCCC=C)CC2)CC1 ZINC001206949329 757612400 /nfs/dbraw/zinc/61/24/00/757612400.db2.gz ZOYBVOGLVOGPPN-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993816 782737079 /nfs/dbraw/zinc/73/70/79/782737079.db2.gz FDNKKKJIHICYDV-HBFSDRIKSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001112528623 770301605 /nfs/dbraw/zinc/30/16/05/770301605.db2.gz JRZVQVYHEUYSBF-NSHGMRRFSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529920 770345409 /nfs/dbraw/zinc/34/54/09/770345409.db2.gz VPRPAXALEYKOKL-RYRKJORJSA-N 2 0 339.911 2.442 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089646843 773684368 /nfs/dbraw/zinc/68/43/68/773684368.db2.gz QDQXRYIYZAWNCE-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980151547 773958961 /nfs/dbraw/zinc/95/89/61/773958961.db2.gz CYELDJFRWLLEDN-SZMVWBNQSA-N 2 0 343.471 2.195 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027892502 774072219 /nfs/dbraw/zinc/07/22/19/774072219.db2.gz XINAJMIMZKHDSV-CKEIUWERSA-N 2 0 346.500 2.041 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980220284 774134291 /nfs/dbraw/zinc/13/42/91/774134291.db2.gz ZBOPNKNEBYHGBL-YESZJQIVSA-N 2 0 340.471 2.001 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC000980248983 774179003 /nfs/dbraw/zinc/17/90/03/774179003.db2.gz XGYHEMFSFHSPKZ-ZCNNSNEGSA-N 2 0 339.483 2.212 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001167815047 774992307 /nfs/dbraw/zinc/99/23/07/774992307.db2.gz MUFBUXHIVHXPPE-UHFFFAOYSA-N 2 0 342.487 2.276 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001167815712 775010810 /nfs/dbraw/zinc/01/08/10/775010810.db2.gz YVBDCHLHPWBNHO-UHFFFAOYSA-N 2 0 348.516 2.338 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181499934 776849573 /nfs/dbraw/zinc/84/95/73/776849573.db2.gz JIZMYGTVIMBKJU-IRXDYDNUSA-N 2 0 330.476 2.266 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC000939810779 777427549 /nfs/dbraw/zinc/42/75/49/777427549.db2.gz PGGLENLRYXGFLD-CRAIPNDOSA-N 2 0 345.512 2.030 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163416 779182757 /nfs/dbraw/zinc/18/27/57/779182757.db2.gz ARNLMLIGCARKSJ-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292284 779575168 /nfs/dbraw/zinc/57/51/68/779575168.db2.gz FDNJXEOIXOVCFZ-YSIASYRMSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@]2(C)C1 ZINC000982311864 779684956 /nfs/dbraw/zinc/68/49/56/779684956.db2.gz LYDSIFGMSIJBQC-FFZOFVMBSA-N 2 0 342.487 2.192 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000261690495 780328954 /nfs/dbraw/zinc/32/89/54/780328954.db2.gz RUPIMVBBMVDVLM-XDNAFOTISA-N 2 0 348.535 2.326 20 30 EEEDRP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089860924 780865104 /nfs/dbraw/zinc/86/51/04/780865104.db2.gz CNHLMQSXLACLII-FJIDUMEYSA-N 2 0 331.504 2.073 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396101 781909871 /nfs/dbraw/zinc/90/98/71/781909871.db2.gz IEGIECOCCJWGRX-LJQANCHMSA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CC[NH+](C)C ZINC001135372218 783662480 /nfs/dbraw/zinc/66/24/80/783662480.db2.gz OVVHDGVODRMXBC-KBPBESRZSA-N 2 0 334.439 2.022 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001035544850 784653612 /nfs/dbraw/zinc/65/36/12/784653612.db2.gz DWMYSTGMFYXFSU-IBGZPJMESA-N 2 0 345.487 2.145 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938016 784829316 /nfs/dbraw/zinc/82/93/16/784829316.db2.gz CNMRFUAPOAUWFJ-HZPDHXFCSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001036312645 786187593 /nfs/dbraw/zinc/18/75/93/786187593.db2.gz QKXJKEJXSUMHQL-RDJZCZTQSA-N 2 0 331.460 2.195 20 30 EEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646612 787996701 /nfs/dbraw/zinc/99/67/01/787996701.db2.gz MTXRJNCYFQIKHP-SVFBPWRDSA-N 2 0 345.531 2.491 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC000997008657 788447931 /nfs/dbraw/zinc/44/79/31/788447931.db2.gz DEGBVBQZHRCUHN-SFHVURJKSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941977 789561574 /nfs/dbraw/zinc/56/15/74/789561574.db2.gz PEEHEGKWVNAWBC-PKOBYXMFSA-N 2 0 337.508 2.033 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001171162360 789577958 /nfs/dbraw/zinc/57/79/58/789577958.db2.gz VXQCAUMCJSFTQN-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904603 789621981 /nfs/dbraw/zinc/62/19/81/789621981.db2.gz LYRTVJVGVIGWKU-ZCNNSNEGSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC3CCCCC3)CC2)CC1 ZINC000997366247 789740148 /nfs/dbraw/zinc/74/01/48/789740148.db2.gz ZNSZQMTXGRSILN-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591045 791360562 /nfs/dbraw/zinc/36/05/62/791360562.db2.gz FQKAOYJTYFFHLF-HUUCEWRRSA-N 2 0 348.466 2.410 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591043 791360649 /nfs/dbraw/zinc/36/06/49/791360649.db2.gz FQKAOYJTYFFHLF-GJZGRUSLSA-N 2 0 348.466 2.410 20 30 EEEDRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001147409698 791823661 /nfs/dbraw/zinc/82/36/61/791823661.db2.gz HKYOOAYNLAGLQL-QFIPXVFZSA-N 2 0 349.478 2.221 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164771 792116930 /nfs/dbraw/zinc/11/69/30/792116930.db2.gz JKATUSPDYWTLBG-LJQANCHMSA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713343 792364136 /nfs/dbraw/zinc/36/41/36/792364136.db2.gz UMDYIBZNZYVKEW-APWZRJJASA-N 2 0 345.512 2.227 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998284421 792463870 /nfs/dbraw/zinc/46/38/70/792463870.db2.gz GWNBDKQXQPDHFY-GJZGRUSLSA-N 2 0 347.425 2.273 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879062 793380888 /nfs/dbraw/zinc/38/08/88/793380888.db2.gz DWIZFYGECLGHLU-GGPKGHCWSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055453 793428469 /nfs/dbraw/zinc/42/84/69/793428469.db2.gz CGMRRKHYUNBGRU-VQIMIIECSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000999391928 794404521 /nfs/dbraw/zinc/40/45/21/794404521.db2.gz OBMZKKVNHWFZKJ-MOPGFXCFSA-N 2 0 329.488 2.165 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036747005 794754929 /nfs/dbraw/zinc/75/49/29/794754929.db2.gz CAIILTZTVHEGCS-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001093374064 795107939 /nfs/dbraw/zinc/10/79/39/795107939.db2.gz YJWQGYXSVVJYQD-RBUKOAKNSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001093378137 795114131 /nfs/dbraw/zinc/11/41/31/795114131.db2.gz JXFGBAYUBVTSDY-PXNSSMCTSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001093408089 795146614 /nfs/dbraw/zinc/14/66/14/795146614.db2.gz UDAIMOGVMVLOCZ-PGYGNJIDSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001108010043 795502187 /nfs/dbraw/zinc/50/21/87/795502187.db2.gz LOONKSFJBHHXOO-IEBWSBKVSA-N 2 0 348.491 2.254 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094529006 796362058 /nfs/dbraw/zinc/36/20/58/796362058.db2.gz FVHKIGTYJFVISX-NLWGTHIKSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC2(CCOCC2)C1 ZINC001089969654 796692386 /nfs/dbraw/zinc/69/23/86/796692386.db2.gz MBMMGFLKHGJULA-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP COCCC[NH+]1CCC([NH+]=C(C)NCc2cccc(C[NH3+])c2)CC1 ZINC001172249260 796942498 /nfs/dbraw/zinc/94/24/98/796942498.db2.gz HQXAMYMQFXMZBF-UHFFFAOYSA-N 3 0 332.492 2.154 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172638294 797042164 /nfs/dbraw/zinc/04/21/64/797042164.db2.gz WIYYFDMPOBMANH-MOPGFXCFSA-N 2 0 349.519 2.010 20 30 EEEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)C[C@H]1C#N ZINC001172982605 797180923 /nfs/dbraw/zinc/18/09/23/797180923.db2.gz DSNUWCXAPMGWBU-HOTGVXAUSA-N 2 0 348.491 2.354 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083105288 797873408 /nfs/dbraw/zinc/87/34/08/797873408.db2.gz SMTJPOJHOHTPAA-GBESFXJTSA-N 2 0 349.519 2.127 20 30 EEEDRP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545875 798314649 /nfs/dbraw/zinc/31/46/49/798314649.db2.gz WVQGMKPDGJBYKH-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941037 798566267 /nfs/dbraw/zinc/56/62/67/798566267.db2.gz LMZIZXMBWXPKQM-GGPKGHCWSA-N 2 0 343.515 2.197 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176844258 798587992 /nfs/dbraw/zinc/58/79/92/798587992.db2.gz HNGMDKOCOHMMCT-GASCZTMLSA-N 2 0 346.450 2.166 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001176926167 798631162 /nfs/dbraw/zinc/63/11/62/798631162.db2.gz HUIQTFIUXKNTGM-FQEVSTJZSA-N 2 0 339.483 2.115 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112589572 806712898 /nfs/dbraw/zinc/71/28/98/806712898.db2.gz GXJOTZFLLOGSSD-ICSRJNTNSA-N 2 0 331.504 2.104 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179071190 799768919 /nfs/dbraw/zinc/76/89/19/799768919.db2.gz BSZKTIVNZMIIJS-FDYSRKEFSA-N 2 0 349.519 2.082 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001179435564 799920516 /nfs/dbraw/zinc/92/05/16/799920516.db2.gz VLNXLIRWCJFCKL-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728652 800882356 /nfs/dbraw/zinc/88/23/56/800882356.db2.gz PWVWJSKHMMZLCX-QWFCFKBJSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182807324 801356714 /nfs/dbraw/zinc/35/67/14/801356714.db2.gz QRTCRPXDOZDADY-QWFCFKBJSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832372 801379115 /nfs/dbraw/zinc/37/91/15/801379115.db2.gz DAHRLEWFMZBIAL-AQNXPRMDSA-N 2 0 341.499 2.441 20 30 EEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001183561904 801645444 /nfs/dbraw/zinc/64/54/44/801645444.db2.gz AYAZINXKNUMOTP-UYAOXDASSA-N 2 0 333.520 2.350 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004440262 802049335 /nfs/dbraw/zinc/04/93/35/802049335.db2.gz YODJXGDTWHZKDI-VQTJNVASSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230638 802169606 /nfs/dbraw/zinc/16/96/06/802169606.db2.gz OTSAJAKLVMUWPC-ZWKOTPCHSA-N 2 0 331.504 2.291 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086106284 802191399 /nfs/dbraw/zinc/19/13/99/802191399.db2.gz BDDKMSBPXZGNMX-OAGGEKHMSA-N 2 0 327.900 2.201 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086180268 802419653 /nfs/dbraw/zinc/41/96/53/802419653.db2.gz HNUCJPDVMAZJEJ-XBXGTLAGSA-N 2 0 325.840 2.192 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC=C)CC2)CC1 ZINC001004618927 802496653 /nfs/dbraw/zinc/49/66/53/802496653.db2.gz IDQPOANDRAZSDE-FQEVSTJZSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697518 802837118 /nfs/dbraw/zinc/83/71/18/802837118.db2.gz VDIKHCPJCDLTGF-ZCNNSNEGSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086456133 803004540 /nfs/dbraw/zinc/00/45/40/803004540.db2.gz SBLGSIAPNXDUFZ-BZUAXINKSA-N 2 0 327.900 2.345 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086500338 803132201 /nfs/dbraw/zinc/13/22/01/803132201.db2.gz XKQFSLWSTLCDDT-KLHDSHLOSA-N 2 0 325.884 2.240 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086500339 803132390 /nfs/dbraw/zinc/13/23/90/803132390.db2.gz XKQFSLWSTLCDDT-VGWMRTNUSA-N 2 0 325.884 2.240 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349474 803336560 /nfs/dbraw/zinc/33/65/60/803336560.db2.gz HDYAZSFSNXRNPK-PKOBYXMFSA-N 2 0 339.524 2.280 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129416686 810830091 /nfs/dbraw/zinc/83/00/91/810830091.db2.gz ILGADUJRUMQMFR-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(C)CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001130453249 811691185 /nfs/dbraw/zinc/69/11/85/811691185.db2.gz VSPNLQOUAYKAPZ-INIZCTEOSA-N 2 0 347.507 2.122 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001438961766 1091654250 /nfs/dbraw/zinc/65/42/50/1091654250.db2.gz MCUUIMYFGPMWEN-HOTGVXAUSA-N 2 0 327.900 2.489 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001449069900 1094085378 /nfs/dbraw/zinc/08/53/78/1094085378.db2.gz YWPOXFKRKCCZLG-CVEARBPZSA-N 2 0 327.900 2.489 20 30 EEEDRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001496364817 1100957716 /nfs/dbraw/zinc/95/77/16/1100957716.db2.gz URCSTJSFKQAXPB-LPHOPBHVSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001495742616 1101513291 /nfs/dbraw/zinc/51/32/91/1101513291.db2.gz IPQDCMVMSGCRRO-LBPRGKRZSA-N 2 0 348.329 2.215 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001493838652 1108722314 /nfs/dbraw/zinc/72/23/14/1108722314.db2.gz IINIPFWMKPMYPG-AWEZNQCLSA-N 2 0 327.900 2.297 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001505453160 1113987807 /nfs/dbraw/zinc/98/78/07/1113987807.db2.gz VPWKQXBDXLCDFD-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001507416710 1115258649 /nfs/dbraw/zinc/25/86/49/1115258649.db2.gz QBVQOOXLYMUAOT-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001521504505 1119256432 /nfs/dbraw/zinc/25/64/32/1119256432.db2.gz WFFUYUIQRHUHTF-GOSISDBHSA-N 2 0 330.476 2.056 20 30 EEEDRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422979212 240315403 /nfs/dbraw/zinc/31/54/03/240315403.db2.gz MAAXMVURRLGEED-HOTGVXAUSA-N 2 0 334.439 2.010 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491889112 246200096 /nfs/dbraw/zinc/20/00/96/246200096.db2.gz UXSHOJWITAGGPQ-QXMHVHEDSA-N 2 0 342.487 2.303 20 30 EEEDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530231609 267006832 /nfs/dbraw/zinc/00/68/32/267006832.db2.gz RGHUTBXWGQNPKP-SFHVURJKSA-N 2 0 331.460 2.152 20 30 EEEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000575968404 320129278 /nfs/dbraw/zinc/12/92/78/320129278.db2.gz NHICBWSPMVRPRS-UHFFFAOYSA-N 2 0 340.471 2.126 20 30 EEEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728139 323353795 /nfs/dbraw/zinc/35/37/95/323353795.db2.gz ZXNLTOIAEPPXRG-IBGZPJMESA-N 2 0 326.488 2.454 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000329154548 465250629 /nfs/dbraw/zinc/25/06/29/465250629.db2.gz UTNJNIHSPDETJI-WBVHZDCISA-N 2 0 345.491 2.284 20 30 EEEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000297745359 465268292 /nfs/dbraw/zinc/26/82/92/465268292.db2.gz JYMSJDQCHUAFBN-MRXNPFEDSA-N 2 0 348.516 2.139 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491327843 468351265 /nfs/dbraw/zinc/35/12/65/468351265.db2.gz YGWWIMSYPMMYLY-IEBWSBKVSA-N 2 0 342.487 2.076 20 30 EEEDRP C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161327623 463420946 /nfs/dbraw/zinc/42/09/46/463420946.db2.gz NNZBPZLLAWBFGT-OAHLLOKOSA-N 2 0 335.411 2.102 20 30 EEEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C#N)cs3)cn2)CC1 ZINC000177684084 463765544 /nfs/dbraw/zinc/76/55/44/463765544.db2.gz SXVBIPVDFBDLHR-UHFFFAOYSA-N 2 0 327.457 2.056 20 30 EEEDRP C=CC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261785437 463858951 /nfs/dbraw/zinc/85/89/51/463858951.db2.gz PSLJYQMHQXPGMT-HNNXBMFYSA-N 2 0 326.448 2.211 20 30 EEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N(C)Cc2cc(Cl)cn2C)C1 ZINC000261967825 463913593 /nfs/dbraw/zinc/91/35/93/463913593.db2.gz LWBYGDVZHWRYDM-CYBMUJFWSA-N 2 0 325.888 2.028 20 30 EEEDRP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261978856 463915709 /nfs/dbraw/zinc/91/57/09/463915709.db2.gz OINGBXZBMLNLJA-DZGCQCFKSA-N 2 0 348.520 2.180 20 30 EEEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000579704448 468399092 /nfs/dbraw/zinc/39/90/92/468399092.db2.gz ACDBFRKHWJRJGX-APWZRJJASA-N 2 0 330.472 2.395 20 30 EEEDRP CN(C)C(=[NH+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)N(C)C ZINC000264101800 464283829 /nfs/dbraw/zinc/28/38/29/464283829.db2.gz OHWJQGRYESEXHV-UHFFFAOYSA-N 2 0 345.535 2.064 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1OC ZINC000268073153 464950055 /nfs/dbraw/zinc/95/00/55/464950055.db2.gz LIYANDFTMNTNOO-INIZCTEOSA-N 2 0 348.491 2.086 20 30 EEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000350229094 466431609 /nfs/dbraw/zinc/43/16/09/466431609.db2.gz XMJRCTWXZFIJOT-SFHVURJKSA-N 2 0 331.460 2.370 20 30 EEEDRP CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372605160 466502713 /nfs/dbraw/zinc/50/27/13/466502713.db2.gz FLVQCQVVCUNHBK-QGZVFWFLSA-N 2 0 343.431 2.071 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000417057493 466766442 /nfs/dbraw/zinc/76/64/42/466766442.db2.gz BLNUTTDXQLVYIF-SFHVURJKSA-N 2 0 348.535 2.470 20 30 EEEDRP N#C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708312 467577326 /nfs/dbraw/zinc/57/73/26/467577326.db2.gz FTQLBUMNZOXCJD-PMACEKPBSA-N 2 0 326.488 2.476 20 30 EEEDRP C[C@@H](CCC#N)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000602659938 468994383 /nfs/dbraw/zinc/99/43/83/468994383.db2.gz WKDXXNYHPPFBCQ-KRWDZBQOSA-N 2 0 334.508 2.240 20 30 EEEDRP C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000610813068 469078537 /nfs/dbraw/zinc/07/85/37/469078537.db2.gz YAYBKROUTJGFNS-MRXNPFEDSA-N 2 0 330.476 2.266 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000596066330 469137175 /nfs/dbraw/zinc/13/71/75/469137175.db2.gz CRRLVQIGYFIPHS-LJQANCHMSA-N 2 0 343.471 2.010 20 30 EEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000609133424 469894862 /nfs/dbraw/zinc/89/48/62/469894862.db2.gz BOUKSSRDQOKENI-IBGZPJMESA-N 2 0 345.487 2.350 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(C)C ZINC000652130502 471241407 /nfs/dbraw/zinc/24/14/07/471241407.db2.gz PZRREAADXZJPLY-BJLQDIEVSA-N 2 0 348.535 2.455 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000113336113 526743525 /nfs/dbraw/zinc/74/35/25/526743525.db2.gz DGUDVJJZLRMAQL-UHFFFAOYSA-N 2 0 343.515 2.452 20 30 EEEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000104164714 528192510 /nfs/dbraw/zinc/19/25/10/528192510.db2.gz BDJIYYZOCDCWTL-LJQANCHMSA-N 3 0 345.535 2.417 20 30 EEEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000104158032 528197914 /nfs/dbraw/zinc/19/79/14/528197914.db2.gz NRWOFPXKDCIEPQ-LJQANCHMSA-N 3 0 345.535 2.417 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000733324647 577222770 /nfs/dbraw/zinc/22/27/70/577222770.db2.gz PYLVXAQMRPBGRL-GOSISDBHSA-N 2 0 329.488 2.204 20 30 EEEDRP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000734281454 577286921 /nfs/dbraw/zinc/28/69/21/577286921.db2.gz KQYXHBZODYLIET-QGZVFWFLSA-N 2 0 346.519 2.132 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC)CC1 ZINC000969156364 674648048 /nfs/dbraw/zinc/64/80/48/674648048.db2.gz RBYPKRJYIBYIFO-IBGZPJMESA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC(C)C)CC1 ZINC000969156625 674648704 /nfs/dbraw/zinc/64/87/04/674648704.db2.gz YKDDWVILLYGAHP-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970427369 675877055 /nfs/dbraw/zinc/87/70/55/675877055.db2.gz FWLJDJUBBJRZCM-INIZCTEOSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845673 676881790 /nfs/dbraw/zinc/88/17/90/676881790.db2.gz YQJKDZWANNAMNV-HOTGVXAUSA-N 2 0 327.900 2.392 20 30 EEEDRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022984605 678893617 /nfs/dbraw/zinc/89/36/17/678893617.db2.gz HYWWRDAQZVPEPG-CALCHBBNSA-N 2 0 349.438 2.070 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC001023127711 679135732 /nfs/dbraw/zinc/13/57/32/679135732.db2.gz AYUWTDPDROJVOL-JUSBFGHESA-N 2 0 343.515 2.005 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C)C2)CC1 ZINC001023128198 679136282 /nfs/dbraw/zinc/13/62/82/679136282.db2.gz TYJAETMPDFYHHK-BGYRXZFFSA-N 2 0 339.483 2.077 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023130956 679137530 /nfs/dbraw/zinc/13/75/30/679137530.db2.gz PAWZPJRFMDOMMW-OTWHNJEPSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569200 679394868 /nfs/dbraw/zinc/39/48/68/679394868.db2.gz TVQNZIHIJHNCNW-MJGOQNOKSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028600826 681347176 /nfs/dbraw/zinc/34/71/76/681347176.db2.gz DYSUHQDAVDGBTE-UXHICEINSA-N 2 0 339.483 2.031 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028603595 681359227 /nfs/dbraw/zinc/35/92/27/681359227.db2.gz DUHRILZHILRGGX-HKUYNNGSSA-N 2 0 343.515 2.102 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750087 681412407 /nfs/dbraw/zinc/41/24/07/681412407.db2.gz LSOXCPWVKVNWHZ-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC[C@H](C)F)CC1 ZINC001024811863 681463508 /nfs/dbraw/zinc/46/35/08/681463508.db2.gz CFYWSLCHWSSLFO-FUHWJXTLSA-N 2 0 337.483 2.050 20 30 EEEDRP C[NH+]=C(NC[C@H](OC)C(C)(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262019171 682869362 /nfs/dbraw/zinc/86/93/62/682869362.db2.gz YKWSHQNFHNKHFG-JYJNAYRXSA-N 2 0 335.496 2.403 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992904950 683633390 /nfs/dbraw/zinc/63/33/90/683633390.db2.gz HUMGKMUPGPLOLZ-HRCADAONSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC000992925694 683656499 /nfs/dbraw/zinc/65/64/99/683656499.db2.gz LVSMMWVIYVVQTN-XUVXKRRUSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]12 ZINC001026360152 684435119 /nfs/dbraw/zinc/43/51/19/684435119.db2.gz IWLQLYUZUZAOLH-HSALFYBXSA-N 2 0 341.499 2.417 20 30 EEEDRP C=CCC1(O)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000895835955 684743583 /nfs/dbraw/zinc/74/35/83/684743583.db2.gz RTDQSPQJDJQYSC-UHFFFAOYSA-N 2 0 329.488 2.341 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990811859 693890427 /nfs/dbraw/zinc/89/04/27/693890427.db2.gz BDVDSNBKBOIZKL-PXNSSMCTSA-N 2 0 342.487 2.451 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262483478 686321649 /nfs/dbraw/zinc/32/16/49/686321649.db2.gz WCZXXOAVODJMCQ-BBWFWOEESA-N 2 0 336.524 2.228 20 30 EEEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303793640 686908433 /nfs/dbraw/zinc/90/84/33/686908433.db2.gz ZSSSUIZFYSLMBD-UHFFFAOYSA-N 2 0 337.899 2.117 20 30 EEEDRP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262789146 688472658 /nfs/dbraw/zinc/47/26/58/688472658.db2.gz NJRJNBXJGCAUEW-MSOLQXFVSA-N 2 0 336.524 2.063 20 30 EEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC(O)CC1 ZINC000262796547 688485191 /nfs/dbraw/zinc/48/51/91/688485191.db2.gz PPPYSSPNMACMBT-KRWDZBQOSA-N 2 0 336.524 2.063 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C)CC1 ZINC000987572331 689848312 /nfs/dbraw/zinc/84/83/12/689848312.db2.gz UCPJTBHEOLGTMP-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964722 691331362 /nfs/dbraw/zinc/33/13/62/691331362.db2.gz DVLNOZYQGUENGQ-KBPBESRZSA-N 2 0 346.500 2.183 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636396 692099269 /nfs/dbraw/zinc/09/92/69/692099269.db2.gz WOLAHCHNVXRROP-HOCLYGCPSA-N 2 0 327.900 2.438 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000977659806 692889668 /nfs/dbraw/zinc/88/96/68/692889668.db2.gz YETWJJYPAOSMPU-FUHWJXTLSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCC(=C)C)CC1 ZINC001754639925 1179127566 /nfs/dbraw/zinc/12/75/66/1179127566.db2.gz ANOKBYFZVVPXGI-UHFFFAOYSA-N 2 0 331.504 2.221 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001105438467 1187119708 /nfs/dbraw/zinc/11/97/08/1187119708.db2.gz IMLMHDDEDICHPA-QFUCXCTJSA-N 2 0 341.499 2.463 20 30 EEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563516 1188179676 /nfs/dbraw/zinc/17/96/76/1188179676.db2.gz ONLNFQGEUGGWPC-MSOLQXFVSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568607 1188182665 /nfs/dbraw/zinc/18/26/65/1188182665.db2.gz UWVHFFQKJQUCTJ-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120447 1193687681 /nfs/dbraw/zinc/68/76/81/1193687681.db2.gz AXIQISRSWACGLT-KGLIPLIRSA-N 2 0 334.489 2.041 20 30 EEEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001005177932 1194667318 /nfs/dbraw/zinc/66/73/18/1194667318.db2.gz GGWHTVIAXQUOCX-HXUWFJFHSA-N 2 0 339.483 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990800 1195608486 /nfs/dbraw/zinc/60/84/86/1195608486.db2.gz XUVOZSYVYGLNFP-LJQANCHMSA-N 2 0 327.472 2.308 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649416 1196469129 /nfs/dbraw/zinc/46/91/29/1196469129.db2.gz VUGVVVFNWUWPEF-BZUAXINKSA-N 2 0 325.884 2.098 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018157019 1224405249 /nfs/dbraw/zinc/40/52/49/1224405249.db2.gz BLYNHIQXCJIFNS-KDURUIRLSA-N 2 0 331.504 2.360 20 30 EEEDRP C#CCC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202511782 1197950047 /nfs/dbraw/zinc/95/00/47/1197950047.db2.gz WIQLPOWZLRCFNJ-UHFFFAOYSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425511 1199714414 /nfs/dbraw/zinc/71/44/14/1199714414.db2.gz IXHNVPCQLORLJN-ZWKOTPCHSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCCCCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425509 1199715388 /nfs/dbraw/zinc/71/53/88/1199715388.db2.gz IXHNVPCQLORLJN-QZTJIDSGSA-N 2 0 339.524 2.280 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213846 1200600504 /nfs/dbraw/zinc/60/05/04/1200600504.db2.gz SVLOQGMRQROCHW-IEBWSBKVSA-N 2 0 333.520 2.204 20 30 EEEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001133407674 1200875788 /nfs/dbraw/zinc/87/57/88/1200875788.db2.gz LTAPMZWHCPJRQP-KRWDZBQOSA-N 2 0 347.890 2.233 20 30 EEEDRP Cn1cncc1CCC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591214 1201161654 /nfs/dbraw/zinc/16/16/54/1201161654.db2.gz RHUDUHCPYCBKHT-UHFFFAOYSA-N 2 0 327.407 2.186 20 30 EEEDRP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131177226 1202028059 /nfs/dbraw/zinc/02/80/59/1202028059.db2.gz GMLFXKMIQCWHAT-HIRMHNASSA-N 2 0 336.524 2.108 20 30 EEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202588696 1202182007 /nfs/dbraw/zinc/18/20/07/1202182007.db2.gz KSSYRWZFBOWZND-UXHICEINSA-N 2 0 341.499 2.489 20 30 EEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001275414573 1205348019 /nfs/dbraw/zinc/34/80/19/1205348019.db2.gz WWMAJTVRGLRTQP-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)c1 ZINC000925701853 1206144955 /nfs/dbraw/zinc/14/49/55/1206144955.db2.gz HDCKWXFAKHTYLU-GBMAXXPESA-N 2 0 336.483 2.109 20 30 EEEDRP N#Cc1ccc(NCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893034 1206164543 /nfs/dbraw/zinc/16/45/43/1206164543.db2.gz JVVLXSGFHARTHH-PXNSSMCTSA-N 2 0 349.438 2.211 20 30 EEEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111268786 1208519158 /nfs/dbraw/zinc/51/91/58/1208519158.db2.gz BBDJLMQAFHFFKL-YRXWBPOGSA-N 2 0 325.456 2.034 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC000948039696 1208835195 /nfs/dbraw/zinc/83/51/95/1208835195.db2.gz JWHOXYZXDVDANX-APWZRJJASA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067387 1208852410 /nfs/dbraw/zinc/85/24/10/1208852410.db2.gz VNTMHLNKBJXBJE-AEFFLSMTSA-N 2 0 327.472 2.354 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCO2 ZINC000949250866 1209594593 /nfs/dbraw/zinc/59/45/93/1209594593.db2.gz BIPIMFSFCGNJHD-QZTJIDSGSA-N 2 0 349.519 2.129 20 30 EEEDRP CCc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000303783204 1213904756 /nfs/dbraw/zinc/90/47/56/1213904756.db2.gz NZVBFRJUKKQODD-RBUKOAKNSA-N 3 0 345.535 2.240 20 30 EEEDRP CCCCCCNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000303784001 1213905395 /nfs/dbraw/zinc/90/53/95/1213905395.db2.gz OUTIVKGTFFTPDA-UHFFFAOYSA-N 2 0 345.535 2.419 20 30 EEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCSCC1)Cc1ccccc1 ZINC000303884898 1213919442 /nfs/dbraw/zinc/91/94/42/1213919442.db2.gz JJMLABAGWXJGLF-KRWDZBQOSA-N 2 0 334.533 2.303 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713595 1225586816 /nfs/dbraw/zinc/58/68/16/1225586816.db2.gz PDNPOYWBTHGNND-HNNXBMFYSA-N 2 0 332.448 2.041 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000304781398 1216104834 /nfs/dbraw/zinc/10/48/34/1216104834.db2.gz GGHYYSZWICFZHY-DZGCQCFKSA-N 2 0 338.883 2.496 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1Cl ZINC000304814388 1216106677 /nfs/dbraw/zinc/10/66/77/1216106677.db2.gz ZPJOFWVJJOYXDD-KBPBESRZSA-N 2 0 338.883 2.496 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1Cl ZINC000305062768 1216138914 /nfs/dbraw/zinc/13/89/14/1216138914.db2.gz KGKACEIZHKKGQL-CZUORRHYSA-N 2 0 338.883 2.416 20 30 EEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC000960216992 1216430742 /nfs/dbraw/zinc/43/07/42/1216430742.db2.gz QINRLVRRDKFKOQ-IBGZPJMESA-N 2 0 340.471 2.125 20 30 EEEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197841 1217083415 /nfs/dbraw/zinc/08/34/15/1217083415.db2.gz HANPASOXNWMOEV-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961769498 1217319554 /nfs/dbraw/zinc/31/95/54/1217319554.db2.gz DYNMTMYRHMWBQE-BWTSREIZSA-N 2 0 327.472 2.027 20 30 EEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000964531068 1218433001 /nfs/dbraw/zinc/43/30/01/1218433001.db2.gz HFBXBVVPGZCANP-QAELIBMJSA-N 2 0 331.504 2.454 20 30 EEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965842553 1219281224 /nfs/dbraw/zinc/28/12/24/1219281224.db2.gz SUHCMVUQUJPZOB-HOUHCIJLSA-N 2 0 325.884 2.098 20 30 EEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928160 1221679256 /nfs/dbraw/zinc/67/92/56/1221679256.db2.gz DHSNPAWMERQJJH-MOPGFXCFSA-N 2 0 333.520 2.491 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000968967453 1221705743 /nfs/dbraw/zinc/70/57/43/1221705743.db2.gz PQLRSOGINXTQOF-RTBURBONSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990839 1221723404 /nfs/dbraw/zinc/72/34/04/1221723404.db2.gz OQQAWKXPHGCAPV-MOPGFXCFSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342186 1222182586 /nfs/dbraw/zinc/18/25/86/1222182586.db2.gz FNKPLBIQFSOSII-QZTJIDSGSA-N 2 0 331.504 2.245 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001009625939 1223307797 /nfs/dbraw/zinc/30/77/97/1223307797.db2.gz GDEADMCDRPLQDQ-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663880 1226748863 /nfs/dbraw/zinc/74/88/63/1226748863.db2.gz VZXFKPXLDGKPOS-ZWKOTPCHSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788535 1226878221 /nfs/dbraw/zinc/87/82/21/1226878221.db2.gz ZRAVCLJKKTUUKI-MOPGFXCFSA-N 2 0 343.515 2.387 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001016823019 1226905385 /nfs/dbraw/zinc/90/53/85/1226905385.db2.gz KKZGKWMEZMBKBF-GDBMZVCRSA-N 2 0 328.460 2.376 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019820489 1229363352 /nfs/dbraw/zinc/36/33/52/1229363352.db2.gz MCABXSXXWYNJTP-OALUTQOASA-N 2 0 340.471 2.123 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020214162 1229558097 /nfs/dbraw/zinc/55/80/97/1229558097.db2.gz KNWHXCPDDLCTIB-GUDVDZBRSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182120 1230409369 /nfs/dbraw/zinc/40/93/69/1230409369.db2.gz JILVOKCBVGBMNA-FQEVSTJZSA-N 2 0 345.531 2.446 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244317 1231128985 /nfs/dbraw/zinc/12/89/85/1231128985.db2.gz ITVCCYRGXNHGSG-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430355 1231227813 /nfs/dbraw/zinc/22/78/13/1231227813.db2.gz BGJWPJUJQBQSRY-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040700031 1231340301 /nfs/dbraw/zinc/34/03/01/1231340301.db2.gz GPFRWDQCEUQDFD-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044768079 1233250877 /nfs/dbraw/zinc/25/08/77/1233250877.db2.gz TYHIFAGWPXGCEG-ZBFHGGJFSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045942983 1234202095 /nfs/dbraw/zinc/20/20/95/1234202095.db2.gz DQTOTRMHDGCWAE-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045966677 1234246557 /nfs/dbraw/zinc/24/65/57/1234246557.db2.gz CGNYIQGQAMCDDQ-QUCCMNQESA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001046849191 1235246754 /nfs/dbraw/zinc/24/67/54/1235246754.db2.gz CFGFRVOWORVDBX-FQEVSTJZSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046941405 1235333528 /nfs/dbraw/zinc/33/35/28/1235333528.db2.gz NCNLQPGHSMNSBD-BZUAXINKSA-N 2 0 343.462 2.366 20 30 EEEDRP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046988453 1235397948 /nfs/dbraw/zinc/39/79/48/1235397948.db2.gz ODEPKIDUZHYNQX-INIZCTEOSA-N 2 0 343.462 2.366 20 30 EEEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047242505 1235730169 /nfs/dbraw/zinc/73/01/69/1235730169.db2.gz SXSSAHZSFSMDDW-YZGWKJHDSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001055014548 1249592147 /nfs/dbraw/zinc/59/21/47/1249592147.db2.gz HOTGFMBAXSDVFU-SMDDNHRTSA-N 2 0 325.840 2.144 20 30 EEEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910869 1239230227 /nfs/dbraw/zinc/23/02/27/1239230227.db2.gz MSIKEGJOCGTCGJ-CALCHBBNSA-N 2 0 331.504 2.053 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC001000208492 1240061611 /nfs/dbraw/zinc/06/16/11/1240061611.db2.gz AKIUZSGVERSZSI-UHFFFAOYSA-N 2 0 336.439 2.332 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)CC1 ZINC001000335499 1240181918 /nfs/dbraw/zinc/18/19/18/1240181918.db2.gz RRWQQYINAPCAPA-UHFFFAOYSA-N 2 0 349.494 2.052 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514654 1241188106 /nfs/dbraw/zinc/18/81/06/1241188106.db2.gz IFYLXYKLFVDNQT-IPMKNSEASA-N 2 0 331.504 2.053 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568399 1241453292 /nfs/dbraw/zinc/45/32/92/1241453292.db2.gz VKQBMDFVKNLWRQ-OTWHNJEPSA-N 2 0 331.504 2.195 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663808 1241813441 /nfs/dbraw/zinc/81/34/41/1241813441.db2.gz ODJPXUXNCWCCTQ-AQNXPRMDSA-N 2 0 343.515 2.482 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049912748 1242672157 /nfs/dbraw/zinc/67/21/57/1242672157.db2.gz OILCLIBAFQIBKG-MOPGFXCFSA-N 2 0 325.456 2.060 20 30 EEEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899588 1242762193 /nfs/dbraw/zinc/76/21/93/1242762193.db2.gz XYAXLPAGYONGHS-GOSISDBHSA-N 2 0 345.487 2.145 20 30 EEEDRP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050121616 1242924360 /nfs/dbraw/zinc/92/43/60/1242924360.db2.gz BOUDKGMNTNOVSX-GBESFXJTSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001050517877 1243770602 /nfs/dbraw/zinc/77/06/02/1243770602.db2.gz IXFWTAWDGWYJAQ-ROUUACIJSA-N 2 0 331.504 2.361 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001050630467 1243991096 /nfs/dbraw/zinc/99/10/96/1243991096.db2.gz QYCIVNDCTMAKTQ-SFHVURJKSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC001053054591 1245782021 /nfs/dbraw/zinc/78/20/21/1245782021.db2.gz OAZFIDKEDFIPAN-VQTJNVASSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC001052438852 1247285674 /nfs/dbraw/zinc/28/56/74/1247285674.db2.gz CVKIPMZHAARUKM-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164925 1247581258 /nfs/dbraw/zinc/58/12/58/1247581258.db2.gz XEZDWFDXXJCDAS-FQEVSTJZSA-N 2 0 336.439 2.286 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650979 1247772752 /nfs/dbraw/zinc/77/27/52/1247772752.db2.gz BZTAAMGFWWUTTI-HKUYNNGSSA-N 2 0 331.504 2.387 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229521 1247788290 /nfs/dbraw/zinc/78/82/90/1247788290.db2.gz XPIPAGZNNMCFAI-LJQANCHMSA-N 2 0 331.504 2.363 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895584 1254761837 /nfs/dbraw/zinc/76/18/37/1254761837.db2.gz AFYXVLOEFLEKIS-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099356 1254930119 /nfs/dbraw/zinc/93/01/19/1254930119.db2.gz PSKZFUOCRJRBTB-FUHWJXTLSA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C=C\Cl)C3)CC1 ZINC001099174223 1257993437 /nfs/dbraw/zinc/99/34/37/1257993437.db2.gz DVQIHNVSXXWDDU-LKSQIJGKSA-N 2 0 349.906 2.055 20 30 EEEDRP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310555 1258072766 /nfs/dbraw/zinc/07/27/66/1258072766.db2.gz PKKBGPNVZAJSIX-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299558 1278316958 /nfs/dbraw/zinc/31/69/58/1278316958.db2.gz XZOYJANLRTVGCW-LSDHHAIUSA-N 2 0 337.464 2.030 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001185772641 1278775748 /nfs/dbraw/zinc/77/57/48/1278775748.db2.gz UBNMUKHINCAAJS-SJORKVTESA-N 2 0 345.487 2.442 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062100 1287259678 /nfs/dbraw/zinc/25/96/78/1287259678.db2.gz HSOXIHRFDDCBTA-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052026 1287272212 /nfs/dbraw/zinc/27/22/12/1287272212.db2.gz DGFPMKRPBPZZDD-IBGZPJMESA-N 2 0 349.519 2.177 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001187322661 1279489931 /nfs/dbraw/zinc/48/99/31/1279489931.db2.gz QWYLMFRMYPOFEY-QGZVFWFLSA-N 2 0 347.890 2.224 20 30 EEEDRP CC(C)[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCC1 ZINC001152480387 1285244055 /nfs/dbraw/zinc/24/40/55/1285244055.db2.gz RWTDXTVFCIXMST-HXUWFJFHSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1OC ZINC001198902096 1285402813 /nfs/dbraw/zinc/40/28/13/1285402813.db2.gz DOMYQPBKUGTUSM-WMZOPIPTSA-N 2 0 345.487 2.360 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001201321770 1289480004 /nfs/dbraw/zinc/48/00/04/1289480004.db2.gz VUMOSIYKHMZBMD-UHFFFAOYSA-N 2 0 348.516 2.431 20 30 EEEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871676 1289794680 /nfs/dbraw/zinc/79/46/80/1289794680.db2.gz KFDPBEBDWNNUPY-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC3CC3)C2)CC1 ZINC001072095586 1295238033 /nfs/dbraw/zinc/23/80/33/1295238033.db2.gz KWCXXEHJCCDYDO-VQIMIIECSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636456 1296540026 /nfs/dbraw/zinc/54/00/26/1296540026.db2.gz KJSFYMZXOZIDQX-ZHALLVOQSA-N 2 0 331.504 2.101 20 30 EEEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001073742930 1297473603 /nfs/dbraw/zinc/47/36/03/1297473603.db2.gz JFDMIKCSFFCNGE-MOPGFXCFSA-N 2 0 349.519 2.177 20 30 EEEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801627 1297543689 /nfs/dbraw/zinc/54/36/89/1297543689.db2.gz QBOQBEBWAQCKEL-MSOLQXFVSA-N 2 0 337.508 2.033 20 30 EEEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c1 ZINC001218994484 1297898187 /nfs/dbraw/zinc/89/81/87/1297898187.db2.gz HKMALERWURNZMZ-MJGOQNOKSA-N 2 0 334.423 2.144 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684614 1298247998 /nfs/dbraw/zinc/24/79/98/1298247998.db2.gz XNKNEPIBYSDUAW-JYJNAYRXSA-N 2 0 327.900 2.296 20 30 EEEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220664176 1298494157 /nfs/dbraw/zinc/49/41/57/1298494157.db2.gz YLLGITZBUGYLIK-DOTOQJQBSA-N 2 0 343.471 2.303 20 30 EEEDRP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354741 1299078403 /nfs/dbraw/zinc/07/84/03/1299078403.db2.gz VKFVOSCQXVIKOB-QGZVFWFLSA-N 2 0 339.524 2.136 20 30 EEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551722 1299685625 /nfs/dbraw/zinc/68/56/25/1299685625.db2.gz ZAHZPXATYNLPEP-GOSISDBHSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[C@H](C(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001223605969 1300191611 /nfs/dbraw/zinc/19/16/11/1300191611.db2.gz ZGOWWRCPYHDUAQ-LJQANCHMSA-N 2 0 342.487 2.227 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103050164 1302129842 /nfs/dbraw/zinc/12/98/42/1302129842.db2.gz VGTILVAWEDJCKN-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147981 1302319060 /nfs/dbraw/zinc/31/90/60/1302319060.db2.gz IZSRWUPOHAHABQ-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001229291438 1302713457 /nfs/dbraw/zinc/71/34/57/1302713457.db2.gz DHPLJLZGDSGJJI-IBGZPJMESA-N 2 0 348.535 2.238 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](F)CC)CC1 ZINC001230252075 1303127924 /nfs/dbraw/zinc/12/79/24/1303127924.db2.gz ZBUCCTABDDDNIV-RCCFBDPRSA-N 2 0 337.483 2.097 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230714177 1303409931 /nfs/dbraw/zinc/40/99/31/1303409931.db2.gz XKZLKAQRJMKZMM-GOSISDBHSA-N 2 0 330.476 2.060 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC001230783146 1303454926 /nfs/dbraw/zinc/45/49/26/1303454926.db2.gz AGMNKRUHYGJENN-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(CCO)cc2)CC1 ZINC001232781046 1304244319 /nfs/dbraw/zinc/24/43/19/1304244319.db2.gz QYNGDEPTYIMQOG-UHFFFAOYSA-N 2 0 343.515 2.013 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166411 1304290213 /nfs/dbraw/zinc/29/02/13/1304290213.db2.gz SHRCVSMVAVUDIB-RBSFLKMASA-N 2 0 347.425 2.416 20 30 EEEDRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3C)CC[C@@H]2C1 ZINC001233082033 1304355464 /nfs/dbraw/zinc/35/54/64/1304355464.db2.gz YTPGDPIUFPOQSQ-WOJBJXKFSA-N 2 0 343.471 2.036 20 30 EEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001112379061 1304507114 /nfs/dbraw/zinc/50/71/14/1304507114.db2.gz OYACSZZJKJCLEX-LNLFQRSKSA-N 2 0 339.499 2.461 20 30 EEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115109029 1304691479 /nfs/dbraw/zinc/69/14/79/1304691479.db2.gz ROHIEVBAMFTLEU-DOADOZAASA-N 2 0 327.472 2.086 20 30 EEEDRP C[NH+](C)CC1(C[NH2+]C23CC(C(=O)NC4(C#N)CCC4)(C2)C3)CCCC1 ZINC001278074727 1305870356 /nfs/dbraw/zinc/87/03/56/1305870356.db2.gz RAWNEFJREOFTFQ-UHFFFAOYSA-N 2 0 344.503 2.183 20 30 EEEDRP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001121595624 1310063569 /nfs/dbraw/zinc/06/35/69/1310063569.db2.gz UIUXWIWHSSVQFF-ULQDDVLXSA-N 2 0 346.523 2.192 20 30 EEEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC001245980186 1310198982 /nfs/dbraw/zinc/19/89/82/1310198982.db2.gz BTOJJRGQJWASOP-SFHVURJKSA-N 2 0 341.540 2.290 20 30 EEEDRP CCCCCCCCCC[C@H](O)C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001246072393 1310230741 /nfs/dbraw/zinc/23/07/41/1310230741.db2.gz WCCVKIVHMWHOQQ-IBGZPJMESA-N 2 0 325.541 2.468 20 30 EEEDRP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC001246081923 1310232561 /nfs/dbraw/zinc/23/25/61/1310232561.db2.gz JYYJVPNSSBFWTD-RDJZCZTQSA-N 2 0 340.471 2.141 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855424 1316069029 /nfs/dbraw/zinc/06/90/29/1316069029.db2.gz YTZRJSGDYRTFFW-SJLPKXTDSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299705 1316229186 /nfs/dbraw/zinc/22/91/86/1316229186.db2.gz RECFLDZWPLSHHX-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001150451912 1316268039 /nfs/dbraw/zinc/26/80/39/1316268039.db2.gz BVVWZNGPYZFYNS-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP C=CCC[C@@H](C)[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626079 1316320523 /nfs/dbraw/zinc/32/05/23/1316320523.db2.gz SPHXZSRLCHAKHB-MSOLQXFVSA-N 2 0 339.524 2.280 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706788 1316349187 /nfs/dbraw/zinc/34/91/87/1316349187.db2.gz NKRFCTYFRGTAKQ-ROUUACIJSA-N 2 0 339.524 2.116 20 30 EEEDRP C=CCCC[NH+]1CCC(CCOC)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001151387779 1316518971 /nfs/dbraw/zinc/51/89/71/1316518971.db2.gz PSVLIFMLUSWDSC-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428623 1317084253 /nfs/dbraw/zinc/08/42/53/1317084253.db2.gz VOIOKKMSPICQRS-VQTJNVASSA-N 2 0 337.471 2.250 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC001249693533 1317154902 /nfs/dbraw/zinc/15/49/02/1317154902.db2.gz NBFGBDYBJJWXNX-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238113 1317517385 /nfs/dbraw/zinc/51/73/85/1317517385.db2.gz ZKRYHRXIUZZALP-CRAIPNDOSA-N 2 0 325.472 2.049 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001252471963 1317610087 /nfs/dbraw/zinc/61/00/87/1317610087.db2.gz LFIBXELGMXZCOY-PCCBWWKXSA-N 2 0 344.499 2.394 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC2CCCC2)CC1 ZINC001157091800 1318395430 /nfs/dbraw/zinc/39/54/30/1318395430.db2.gz CFISGOUKCIRXSJ-QGZVFWFLSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109520 1318410831 /nfs/dbraw/zinc/41/08/31/1318410831.db2.gz PYOAKYDNILFYPR-MRXNPFEDSA-N 2 0 330.476 2.225 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)s1 ZINC001158040742 1318981572 /nfs/dbraw/zinc/98/15/72/1318981572.db2.gz YYFIPYOBTLBHAI-GJZGRUSLSA-N 2 0 346.500 2.090 20 30 EEEDRP N#Cc1cc(Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc(C2C[NH2+]C2)c1 ZINC001159134520 1319631398 /nfs/dbraw/zinc/63/13/98/1319631398.db2.gz JXVZLUHTBHNUMM-ZDUSSCGKSA-N 2 0 325.441 2.261 20 30 EEEDRP N#Cc1cccc(Oc2nc(Cl)ncc2N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159788109 1319990938 /nfs/dbraw/zinc/99/09/38/1319990938.db2.gz HHEMBNBUKSDXAJ-CYBMUJFWSA-N 2 0 332.795 2.230 20 30 EEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142567 1320083000 /nfs/dbraw/zinc/08/30/00/1320083000.db2.gz OKEHBSOPGPGMII-LJQANCHMSA-N 2 0 343.515 2.413 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)(COC)CC1 ZINC001162320037 1320820077 /nfs/dbraw/zinc/82/00/77/1320820077.db2.gz GGPKMNWUHQCALJ-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001162848435 1320973195 /nfs/dbraw/zinc/97/31/95/1320973195.db2.gz ITSULOLFXAHVLM-HXUWFJFHSA-N 2 0 341.499 2.155 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001162928539 1320990421 /nfs/dbraw/zinc/99/04/21/1320990421.db2.gz JZQHTRUREPTOKZ-SFHVURJKSA-N 2 0 329.488 2.175 20 30 EEEDRP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001162997494 1321008637 /nfs/dbraw/zinc/00/86/37/1321008637.db2.gz VDSLOACPNRCVTH-GOSISDBHSA-N 2 0 349.906 2.352 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C12CCC2 ZINC001203358142 1321869265 /nfs/dbraw/zinc/86/92/65/1321869265.db2.gz IHBJMYUJQJXHPU-ZWKOTPCHSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770203 1321957465 /nfs/dbraw/zinc/95/74/65/1321957465.db2.gz FEIKVMNIDWMKIN-MSOLQXFVSA-N 2 0 349.519 2.082 20 30 EEEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547994 1323529828 /nfs/dbraw/zinc/52/98/28/1323529828.db2.gz MIKXEEMQEWDUHY-MOPGFXCFSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206794069 1323600499 /nfs/dbraw/zinc/60/04/99/1323600499.db2.gz HTFYFNDYOAXNGP-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208050074 1324289199 /nfs/dbraw/zinc/28/91/99/1324289199.db2.gz URQAOSJCELQNCT-QGZVFWFLSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001209403591 1324923428 /nfs/dbraw/zinc/92/34/28/1324923428.db2.gz OJNNAFAGAVDWIQ-OALUTQOASA-N 2 0 335.536 2.482 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209714797 1325019745 /nfs/dbraw/zinc/01/97/45/1325019745.db2.gz CFEZXCNHQISLFK-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210812364 1325446316 /nfs/dbraw/zinc/44/63/16/1325446316.db2.gz YRCVLSDKVSZGPZ-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001338852540 1336920018 /nfs/dbraw/zinc/92/00/18/1336920018.db2.gz YAOXBBDKJBTNRF-INIZCTEOSA-N 2 0 346.523 2.194 20 30 EEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001569597480 1342905893 /nfs/dbraw/zinc/90/58/93/1342905893.db2.gz GAJMXUWLMJWAIO-WOJBJXKFSA-N 2 0 335.451 2.314 20 30 EEEDRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152340690 1368620487 /nfs/dbraw/zinc/62/04/87/1368620487.db2.gz UIJZSHHRZVWPLJ-UHFFFAOYSA-N 2 0 347.890 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCC3)C2)CC1 ZINC001072096209 1370606144 /nfs/dbraw/zinc/60/61/44/1370606144.db2.gz VLGOWORLMKQSKH-QFBILLFUSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781421646 1371228377 /nfs/dbraw/zinc/22/83/77/1371228377.db2.gz RWYNRTWTMKHTQK-XUVXKRRUSA-N 2 0 339.483 2.016 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396948 1371430917 /nfs/dbraw/zinc/43/09/17/1371430917.db2.gz LWSZTTMWOPWDIN-RDJZCZTQSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CCNC(=[NH2+])NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000849076553 1373204113 /nfs/dbraw/zinc/20/41/13/1373204113.db2.gz LDTFBJWDRGAAOF-IAGOWNOFSA-N 2 0 344.503 2.496 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001367183543 1374116851 /nfs/dbraw/zinc/11/68/51/1374116851.db2.gz GGPZBGPKKMVHRZ-UYAOXDASSA-N 2 0 340.471 2.027 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001390076896 1388431795 /nfs/dbraw/zinc/43/17/95/1388431795.db2.gz OKIJORIKLRAGQY-OAHLLOKOSA-N 2 0 348.516 2.290 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001375496224 1377787710 /nfs/dbraw/zinc/78/77/10/1377787710.db2.gz CBAQGSKNESBTSW-VBQJREDUSA-N 2 0 348.516 2.190 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001376886225 1378830293 /nfs/dbraw/zinc/83/02/93/1378830293.db2.gz XHEKNJMKHSMSGV-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394040 1379201440 /nfs/dbraw/zinc/20/14/40/1379201440.db2.gz YCRUYBHRPCEGFH-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001379464890 1380716558 /nfs/dbraw/zinc/71/65/58/1380716558.db2.gz KZJCYPIDNJUEGE-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001381485333 1381623449 /nfs/dbraw/zinc/62/34/49/1381623449.db2.gz ONSXGERGUKEWJG-SFHVURJKSA-N 2 0 342.487 2.084 20 30 EEEDRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399430094 1395081701 /nfs/dbraw/zinc/08/17/01/1395081701.db2.gz JRUGRTGBDTXIRV-QGZVFWFLSA-N 2 0 342.487 2.419 20 30 EEEDRP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC001399667052 1395378382 /nfs/dbraw/zinc/37/83/82/1395378382.db2.gz LGYYVUZWEVMZMA-UHFFFAOYSA-N 2 0 346.450 2.121 20 30 EEEDRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001753723191 1406765743 /nfs/dbraw/zinc/76/57/43/1406765743.db2.gz GYKXRRCZQFHAHB-INIZCTEOSA-N 2 0 349.906 2.470 20 30 EEEDRP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001754004833 1406797141 /nfs/dbraw/zinc/79/71/41/1406797141.db2.gz JZJUHIYTNVICOA-INIZCTEOSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001403144720 1398425083 /nfs/dbraw/zinc/42/50/83/1398425083.db2.gz REVDUNQANRUVJO-AWEZNQCLSA-N 2 0 346.313 2.255 20 30 EEEDRP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755074212 1407083628 /nfs/dbraw/zinc/08/36/28/1407083628.db2.gz SHGYNGUEXFSINJ-IBGZPJMESA-N 2 0 333.520 2.350 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CCC[NH+](C)C ZINC001425876299 1401785825 /nfs/dbraw/zinc/78/58/25/1401785825.db2.gz JWCAFTKLBCHMQA-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755205678 1407219514 /nfs/dbraw/zinc/21/95/14/1407219514.db2.gz WFPJFRPKPAWUHJ-VQTJNVASSA-N 2 0 345.531 2.446 20 30 EEEDRP C#CC[C@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001574515851 1403521524 /nfs/dbraw/zinc/52/15/24/1403521524.db2.gz AITGKINUKNPJFO-FXAWDEMLSA-N 2 0 327.472 2.159 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001755685555 1407731383 /nfs/dbraw/zinc/73/13/83/1407731383.db2.gz ZAUVKJNJWXTHAM-CVEARBPZSA-N 2 0 339.443 2.426 20 30 EEEDRP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193542 1410215201 /nfs/dbraw/zinc/21/52/01/1410215201.db2.gz FDGSPPQQICRHMN-QAELIBMJSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942442808 782437635 /nfs/dbraw/zinc/43/76/35/782437635.db2.gz AKYNQNJNEDFXDX-DOTOQJQBSA-N 2 0 339.443 2.284 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001075397622 757999119 /nfs/dbraw/zinc/99/91/19/757999119.db2.gz PKAQIRRVINMHMZ-RTBURBONSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001075397620 757999394 /nfs/dbraw/zinc/99/93/94/757999394.db2.gz PKAQIRRVINMHMZ-OALUTQOASA-N 2 0 349.519 2.034 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167628246 760774196 /nfs/dbraw/zinc/77/41/96/760774196.db2.gz XZRMHUGGTWRUQS-LJQANCHMSA-N 2 0 342.487 2.417 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C[C@H](C)O2 ZINC001098603030 764968260 /nfs/dbraw/zinc/96/82/60/764968260.db2.gz JDELEZLLPDOXAH-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089510720 770026132 /nfs/dbraw/zinc/02/61/32/770026132.db2.gz DPKYMEMHROBIPC-ROUUACIJSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087423232 770083222 /nfs/dbraw/zinc/08/32/22/770083222.db2.gz PVMGIYBHARXVGX-VAMGGRTRSA-N 2 0 339.483 2.078 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718974 783049570 /nfs/dbraw/zinc/04/95/70/783049570.db2.gz FAFUXWWZMWPQRW-YLJYHZDGSA-N 2 0 341.499 2.254 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212368 783063045 /nfs/dbraw/zinc/06/30/45/783063045.db2.gz GVVSCXBBSQOSQO-AEFFLSMTSA-N 2 0 327.472 2.328 20 30 EEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683925 774308370 /nfs/dbraw/zinc/30/83/70/774308370.db2.gz KMUFXIQBSKIEMO-MSOLQXFVSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCC3CCCC3)C2)CC1 ZINC000980477349 774701008 /nfs/dbraw/zinc/70/10/08/774701008.db2.gz FBAJBKSWBXCIEV-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997595569 790374040 /nfs/dbraw/zinc/37/40/40/790374040.db2.gz FIIMJHCJNITOTD-SQWLQELKSA-N 2 0 327.900 2.296 20 30 EEEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001089828278 777216430 /nfs/dbraw/zinc/21/64/30/777216430.db2.gz RXKBCCUDPNNLJT-KNTRFNDTSA-N 2 0 348.450 2.058 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280104 779520218 /nfs/dbraw/zinc/52/02/18/779520218.db2.gz UOSJWQZCWOHXPK-LFGUQSLTSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4nccn43)C[C@@]2(C)C1 ZINC000982295962 779605360 /nfs/dbraw/zinc/60/53/60/779605360.db2.gz HPHGYXJFLAYKMH-ZYSHUDEJSA-N 2 0 328.460 2.117 20 30 EEEDRP C=C(Cl)CN1C[C@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC000982306203 779658656 /nfs/dbraw/zinc/65/86/56/779658656.db2.gz MXNJZYXBBWLZMH-OIISXLGYSA-N 2 0 327.900 2.250 20 30 EEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997726320 790885165 /nfs/dbraw/zinc/88/51/65/790885165.db2.gz QMRXNSYKCSUNPC-HKUYNNGSSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997725186 790899598 /nfs/dbraw/zinc/89/95/98/790899598.db2.gz CMOVZXGGRBWEPT-PKOBYXMFSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035200178 784040305 /nfs/dbraw/zinc/04/03/05/784040305.db2.gz ZOSSTURVIVHKGO-LJQANCHMSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035538353 784641153 /nfs/dbraw/zinc/64/11/53/784641153.db2.gz ZQBRILDRHIABDN-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170871685 784815669 /nfs/dbraw/zinc/81/56/69/784815669.db2.gz QUYYPBLVHRBYRM-OKZBNKHCSA-N 2 0 339.524 2.184 20 30 EEEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OC ZINC000817917798 785068230 /nfs/dbraw/zinc/06/82/30/785068230.db2.gz HXPOIHVDBKXUID-MWQQHZPXSA-N 2 0 347.459 2.218 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036095564 785749127 /nfs/dbraw/zinc/74/91/27/785749127.db2.gz WYVJJLWTSUMCEI-DZGCQCFKSA-N 2 0 325.884 2.194 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1)[NH+](C)C ZINC000996315970 786255019 /nfs/dbraw/zinc/25/50/19/786255019.db2.gz VUKLUJYXBDVHBQ-ROUUACIJSA-N 2 0 342.487 2.225 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203456156 788008467 /nfs/dbraw/zinc/00/84/67/788008467.db2.gz QFSHSFVNFGCMJT-UHFFFAOYSA-N 2 0 334.489 2.042 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996905752 788133655 /nfs/dbraw/zinc/13/36/55/788133655.db2.gz SDQBPXNYLPUHBO-OAHLLOKOSA-N 2 0 327.900 2.442 20 30 EEEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714692 805895371 /nfs/dbraw/zinc/89/53/71/805895371.db2.gz SPTUHGGUELUJKH-XDNAFOTISA-N 2 0 337.508 2.031 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997086741 788746078 /nfs/dbraw/zinc/74/60/78/788746078.db2.gz VEUGRXWVHQONHV-MJGOQNOKSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859177 788821153 /nfs/dbraw/zinc/82/11/53/788821153.db2.gz MLMNEAILRZFIGL-VNTMZGSJSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171120629 789040930 /nfs/dbraw/zinc/04/09/30/789040930.db2.gz OPSJDIGJNYBNKU-QZTJIDSGSA-N 2 0 339.524 2.328 20 30 EEEDRP N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354696 789434289 /nfs/dbraw/zinc/43/42/89/789434289.db2.gz UWQLQHHFIGJZIW-SFHVURJKSA-N 2 0 331.460 2.139 20 30 EEEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001147359946 791800759 /nfs/dbraw/zinc/80/07/59/791800759.db2.gz XQNYLNSWPFEALG-LJQANCHMSA-N 2 0 342.487 2.419 20 30 EEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009346 791825927 /nfs/dbraw/zinc/82/59/27/791825927.db2.gz WNIAFQVDLVHSRI-RBUKOAKNSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000998044350 791880860 /nfs/dbraw/zinc/88/08/60/791880860.db2.gz GQFGWHISBYSEJT-QZTJIDSGSA-N 2 0 342.487 2.172 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001147823915 791981854 /nfs/dbraw/zinc/98/18/54/791981854.db2.gz GPUBPNJOPGLMMS-NVXWUHKLSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC000998270841 792412650 /nfs/dbraw/zinc/41/26/50/792412650.db2.gz VOSCMBXPRRGACW-KBPBESRZSA-N 2 0 347.425 2.416 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998270847 792412994 /nfs/dbraw/zinc/41/29/94/792412994.db2.gz VOSCMBXPRRGACW-ZIAGYGMSSA-N 2 0 347.425 2.416 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480979 792541496 /nfs/dbraw/zinc/54/14/96/792541496.db2.gz XRXOOTKGKIPHGN-NRFANRHFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611904 792559060 /nfs/dbraw/zinc/55/90/60/792559060.db2.gz RKPOVTVJBNMABH-IBGZPJMESA-N 2 0 339.483 2.237 20 30 EEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952444 793085755 /nfs/dbraw/zinc/08/57/55/793085755.db2.gz IRKQFXAOVMJXNU-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071250 793534431 /nfs/dbraw/zinc/53/44/31/793534431.db2.gz NCPYYZNJYKKGJT-GGPKGHCWSA-N 2 0 331.504 2.055 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC000999348381 794341559 /nfs/dbraw/zinc/34/15/59/794341559.db2.gz OCPYXDRSLQOIBE-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907651 794426685 /nfs/dbraw/zinc/42/66/85/794426685.db2.gz WEMZCXYDZULZAW-GGPKGHCWSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@H](F)CC)CC3)CC1 ZINC000992502969 794429552 /nfs/dbraw/zinc/42/95/52/794429552.db2.gz CNMLBEYQDJJECG-HBFSDRIKSA-N 2 0 349.494 2.193 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999432953 794456069 /nfs/dbraw/zinc/45/60/69/794456069.db2.gz ICAPCHVYVDBFQH-KGLIPLIRSA-N 2 0 346.313 2.062 20 30 EEEDRP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093360732 795086596 /nfs/dbraw/zinc/08/65/96/795086596.db2.gz FGPAKTWWYYMBLY-MOPGFXCFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001093360945 795087411 /nfs/dbraw/zinc/08/74/11/795087411.db2.gz GOGSGMIPSOMIPI-OALUTQOASA-N 2 0 343.515 2.197 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479873 795682918 /nfs/dbraw/zinc/68/29/18/795682918.db2.gz VPQZEZOGXYAZTG-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905708 796450390 /nfs/dbraw/zinc/45/03/90/796450390.db2.gz OBZBLDDDRAJNEB-FUHWJXTLSA-N 2 0 343.471 2.291 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001080997834 796548092 /nfs/dbraw/zinc/54/80/92/796548092.db2.gz LRJOTFLAPIGRON-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001099306720 797884256 /nfs/dbraw/zinc/88/42/56/797884256.db2.gz PRUJGYZCRXRVMC-ZIAGYGMSSA-N 2 0 347.425 2.273 20 30 EEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175295137 798051279 /nfs/dbraw/zinc/05/12/79/798051279.db2.gz BZWAOXDVINQGGY-IBGZPJMESA-N 2 0 343.515 2.449 20 30 EEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001175297363 798052617 /nfs/dbraw/zinc/05/26/17/798052617.db2.gz VODURPOZJLGAIC-LJQANCHMSA-N 2 0 343.515 2.449 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958122 798577754 /nfs/dbraw/zinc/57/77/54/798577754.db2.gz MIDNMGQUFRFGLP-RLLQIKCJSA-N 2 0 343.515 2.340 20 30 EEEDRP N#Cc1ccccc1C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177333190 798868501 /nfs/dbraw/zinc/86/85/01/798868501.db2.gz UTFJWSCKJAGARL-UHFFFAOYSA-N 2 0 342.487 2.420 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177466743 798951637 /nfs/dbraw/zinc/95/16/37/798951637.db2.gz DSHBMYDEYSPZRD-IBGZPJMESA-N 2 0 333.520 2.350 20 30 EEEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001179461308 799933706 /nfs/dbraw/zinc/93/37/06/799933706.db2.gz GHSVVWBEIOXNBF-UHFFFAOYSA-N 2 0 348.466 2.415 20 30 EEEDRP C=CCC[NH2+]CCCCCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001179620415 800027142 /nfs/dbraw/zinc/02/71/42/800027142.db2.gz NNUVCCLVWIVNDJ-GOSISDBHSA-N 2 0 339.524 2.330 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001179933732 800167531 /nfs/dbraw/zinc/16/75/31/800167531.db2.gz ZIWXABWYAUOUTI-UHFFFAOYSA-N 2 0 339.524 2.330 20 30 EEEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180259503 800336042 /nfs/dbraw/zinc/33/60/42/800336042.db2.gz ITPLBPMGGRULDD-AWEZNQCLSA-N 2 0 346.313 2.113 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085422458 800480879 /nfs/dbraw/zinc/48/08/79/800480879.db2.gz UMIKFMBZMXUUOU-IPMKNSEASA-N 2 0 340.471 2.027 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586358 801460914 /nfs/dbraw/zinc/46/09/14/801460914.db2.gz DYZOGRULPUTQCE-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165120 801511588 /nfs/dbraw/zinc/51/15/88/801511588.db2.gz NXVVVIMKGXWWCW-UKPHBRMFSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185293586 802447268 /nfs/dbraw/zinc/44/72/68/802447268.db2.gz HXSNRVNMNXOTGQ-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221521 802530560 /nfs/dbraw/zinc/53/05/60/802530560.db2.gz XKQFSLWSTLCDDT-QXSJWSMHSA-N 2 0 325.884 2.240 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001086278479 802659565 /nfs/dbraw/zinc/65/95/65/802659565.db2.gz YEAFZGVWRNMVMQ-PUZFROQSSA-N 2 0 345.531 2.396 20 30 EEEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588916 808829176 /nfs/dbraw/zinc/82/91/76/808829176.db2.gz WICREUPLDSKWAW-SLFFLAALSA-N 2 0 339.483 2.098 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129416685 810830602 /nfs/dbraw/zinc/83/06/02/810830602.db2.gz ILGADUJRUMQMFR-GOSISDBHSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001439637369 1092559367 /nfs/dbraw/zinc/55/93/67/1092559367.db2.gz XGBNKNNPGMMLJP-UHFFFAOYSA-N 2 0 335.879 2.395 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3ccccc3C#N)CCCC2)C1 ZINC001444089847 1098619632 /nfs/dbraw/zinc/61/96/32/1098619632.db2.gz PUANAQADYKRSJF-SFHVURJKSA-N 2 0 340.471 2.029 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001444819230 1099751819 /nfs/dbraw/zinc/75/18/19/1099751819.db2.gz CGERCXYYDKXLPE-CJNGLKHVSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496238568 1100806343 /nfs/dbraw/zinc/80/63/43/1100806343.db2.gz LVRWPFIVZYHACS-KRWDZBQOSA-N 2 0 342.487 2.371 20 30 EEEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001446442847 1100864293 /nfs/dbraw/zinc/86/42/93/1100864293.db2.gz WUHUFKYLAGCWKO-KRWDZBQOSA-N 2 0 346.450 2.120 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003415 1113870726 /nfs/dbraw/zinc/87/07/26/1113870726.db2.gz RCDQXXRVKWQBMO-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001503646029 1113894183 /nfs/dbraw/zinc/89/41/83/1113894183.db2.gz VHUBMMSFALPIES-HNNXBMFYSA-N 2 0 347.528 2.386 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001507292618 1115177195 /nfs/dbraw/zinc/17/71/95/1115177195.db2.gz LCWUYMGLNUGLSN-KBXCAEBGSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978740 240315335 /nfs/dbraw/zinc/31/53/35/240315335.db2.gz KLCGPSDTWJEKAK-JXSMBQFASA-N 2 0 346.450 2.008 20 30 EEEDRP C[C@H](CNc1cc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C#N)[NH+](C)C ZINC000288638693 267163388 /nfs/dbraw/zinc/16/33/88/267163388.db2.gz YZPYYHOSUGQPLH-CHWSQXEVSA-N 2 0 348.451 2.190 20 30 EEEDRP Cn1ccnc1[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000581615937 324290730 /nfs/dbraw/zinc/29/07/30/324290730.db2.gz XSXALFHDGBIVJR-HNNXBMFYSA-N 2 0 334.383 2.331 20 30 EEEDRP CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086740989 462580528 /nfs/dbraw/zinc/58/05/28/462580528.db2.gz GXGIOQWYDQFNPN-QFBILLFUSA-N 2 0 348.491 2.013 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000067274132 462986513 /nfs/dbraw/zinc/98/65/13/462986513.db2.gz ADLWFOQUANLAHH-KRWDZBQOSA-N 2 0 331.460 2.124 20 30 EEEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000105476387 463454335 /nfs/dbraw/zinc/45/43/35/463454335.db2.gz UIFSKGCPDWENFK-UHFFFAOYSA-N 2 0 344.503 2.486 20 30 EEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000262828327 464048088 /nfs/dbraw/zinc/04/80/88/464048088.db2.gz ZCDFUIMSUYRJLN-QGZVFWFLSA-N 2 0 328.460 2.289 20 30 EEEDRP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180997997 464432400 /nfs/dbraw/zinc/43/24/00/464432400.db2.gz SZKFOCFTADNFQJ-QGZVFWFLSA-N 2 0 327.453 2.476 20 30 EEEDRP CN(CCC#N)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000264798277 464469429 /nfs/dbraw/zinc/46/94/29/464469429.db2.gz ZCUJHLZHGSXMON-FQEVSTJZSA-N 2 0 344.503 2.363 20 30 EEEDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181856556 464533499 /nfs/dbraw/zinc/53/34/99/464533499.db2.gz RVWRITOZPKMSCA-MRXNPFEDSA-N 2 0 330.476 2.266 20 30 EEEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])N2CCOCC2)CCCC1)c1ccccc1 ZINC000267429163 464931998 /nfs/dbraw/zinc/93/19/98/464931998.db2.gz MBTQHVYYBNMNOL-INIZCTEOSA-N 2 0 330.476 2.297 20 30 EEEDRP C[C@@H]1CC[NH2+][C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593919111 468433782 /nfs/dbraw/zinc/43/37/82/468433782.db2.gz OTJMWKANYRLJJN-BEFAXECRSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361431453 465990508 /nfs/dbraw/zinc/99/05/08/465990508.db2.gz DSLYWVPFBGVTRW-SJORKVTESA-N 2 0 334.508 2.285 20 30 EEEDRP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367263162 466226156 /nfs/dbraw/zinc/22/61/56/466226156.db2.gz TXNBGDJFCVTUOH-LJQANCHMSA-N 2 0 342.487 2.167 20 30 EEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000581602853 468496186 /nfs/dbraw/zinc/49/61/86/468496186.db2.gz WHQOJXQQDXONGB-GOSISDBHSA-N 2 0 345.487 2.345 20 30 EEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])C(C)C ZINC000417068571 466770563 /nfs/dbraw/zinc/77/05/63/466770563.db2.gz SLAJJLWIDHVPAK-KZNAEPCWSA-N 2 0 336.524 2.454 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417535550 466879410 /nfs/dbraw/zinc/87/94/10/466879410.db2.gz WTNIOQORUYEMMW-WMZOPIPTSA-N 2 0 334.508 2.201 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424147772 466990513 /nfs/dbraw/zinc/99/05/13/466990513.db2.gz SEROXRMZAVPQEB-BPQIPLTHSA-N 2 0 328.460 2.034 20 30 EEEDRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424171262 466995796 /nfs/dbraw/zinc/99/57/96/466995796.db2.gz CDQOYBRQVZYFMA-INIZCTEOSA-N 2 0 336.867 2.251 20 30 EEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784531 467436062 /nfs/dbraw/zinc/43/60/62/467436062.db2.gz IKVROHYAGBFCTO-QGZVFWFLSA-N 2 0 346.471 2.447 20 30 EEEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000442818381 467577829 /nfs/dbraw/zinc/57/78/29/467577829.db2.gz NVPPQBQWLHNZIA-HKUYNNGSSA-N 2 0 340.471 2.294 20 30 EEEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000530486764 467988338 /nfs/dbraw/zinc/98/83/38/467988338.db2.gz SJPGYCOAOKKZRY-UHFFFAOYSA-N 2 0 330.476 2.053 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712033 468239383 /nfs/dbraw/zinc/23/93/83/468239383.db2.gz CRRFFGBLIPOJST-FXAWDEMLSA-N 2 0 341.499 2.448 20 30 EEEDRP CC1CC[NH+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600713818 468630248 /nfs/dbraw/zinc/63/02/48/468630248.db2.gz FKAUHVPTJSUYBN-SFHVURJKSA-N 2 0 331.460 2.010 20 30 EEEDRP COc1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)ccc1C#N ZINC000601069058 468734254 /nfs/dbraw/zinc/73/42/54/468734254.db2.gz RGWSZCWIMOEJCM-UHFFFAOYSA-N 2 0 337.427 2.326 20 30 EEEDRP C=CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000658117347 471267340 /nfs/dbraw/zinc/26/73/40/471267340.db2.gz UNGPAAMRKGJIGP-OAHLLOKOSA-N 2 0 339.505 2.143 20 30 EEEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OCC#N)cc1 ZINC000776153799 577453348 /nfs/dbraw/zinc/45/33/48/577453348.db2.gz INYFDLFGOJIUOH-QGZVFWFLSA-N 2 0 330.476 2.267 20 30 EEEDRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001020591755 675224806 /nfs/dbraw/zinc/22/48/06/675224806.db2.gz UUNITWIXYZWODL-HDJSIYSDSA-N 2 0 346.500 2.088 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638400 676294048 /nfs/dbraw/zinc/29/40/48/676294048.db2.gz DSRGNSMAPGURHC-QUCCMNQESA-N 2 0 348.450 2.432 20 30 EEEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023130550 679137638 /nfs/dbraw/zinc/13/76/38/679137638.db2.gz UDOCMYNRBFHKKW-CEXWTWQISA-N 2 0 340.471 2.169 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411676 679296023 /nfs/dbraw/zinc/29/60/23/679296023.db2.gz IGXMJDAPRNUAHH-IEBWSBKVSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001024276999 679861404 /nfs/dbraw/zinc/86/14/04/679861404.db2.gz NMDLYOVZJKDRMG-LJQANCHMSA-N 2 0 345.531 2.350 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984800136 685275321 /nfs/dbraw/zinc/27/53/21/685275321.db2.gz OMTBDDPDSSOVAW-GPMSIDNRSA-N 2 0 340.471 2.027 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028600685 681346181 /nfs/dbraw/zinc/34/61/81/681346181.db2.gz BVSRDJMTVJSCPH-UXHICEINSA-N 2 0 345.531 2.493 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553743 681635227 /nfs/dbraw/zinc/63/52/27/681635227.db2.gz PWKREDKJUICCJE-BGYRXZFFSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273406 682379503 /nfs/dbraw/zinc/37/95/03/682379503.db2.gz DYUPRGZHADYHDD-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281331 682390988 /nfs/dbraw/zinc/39/09/88/682390988.db2.gz TWMBQZAZIREISY-MOPGFXCFSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590771 683051471 /nfs/dbraw/zinc/05/14/71/683051471.db2.gz RMPXSRWIMPAWPW-FXAWDEMLSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001026548169 684731817 /nfs/dbraw/zinc/73/18/17/684731817.db2.gz RGEQRULUDLABTB-FXQLRMTLSA-N 2 0 327.900 2.486 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000974665707 685191861 /nfs/dbraw/zinc/19/18/61/685191861.db2.gz SKDASQZJIHHAFW-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262432734 686049982 /nfs/dbraw/zinc/04/99/82/686049982.db2.gz SRTIKOUQEDLFRS-FJIDUMEYSA-N 2 0 346.519 2.102 20 30 EEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089880101 1192633554 /nfs/dbraw/zinc/63/35/54/1192633554.db2.gz HXUWSYJICGMCOZ-VJANTYMQSA-N 2 0 331.504 2.073 20 30 EEEDRP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001481726818 1182383061 /nfs/dbraw/zinc/38/30/61/1182383061.db2.gz ODARMDDBZCVSFE-LJQANCHMSA-N 2 0 340.471 2.075 20 30 EEEDRP C=C(Br)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001482234080 1184427662 /nfs/dbraw/zinc/42/76/62/1184427662.db2.gz OKCTYQAKUIMHMV-UHFFFAOYSA-N 2 0 346.313 2.255 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001088406677 1186815395 /nfs/dbraw/zinc/81/53/95/1186815395.db2.gz CCLPXPIALAJETF-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088620604 1187961133 /nfs/dbraw/zinc/96/11/33/1187961133.db2.gz SMZLPDPKOSBDDC-NZSAHSFTSA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(Cl)CN1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001483971924 1191131820 /nfs/dbraw/zinc/13/18/20/1191131820.db2.gz OICMEXVXGXURMB-UHFFFAOYSA-N 2 0 327.900 2.442 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001486211349 1193751694 /nfs/dbraw/zinc/75/16/94/1193751694.db2.gz VPFOEAGREZSEHO-MOPGFXCFSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033423690 1194560098 /nfs/dbraw/zinc/56/00/98/1194560098.db2.gz UHQLKRATGPUDBI-MRXNPFEDSA-N 2 0 346.475 2.383 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001033687448 1195071249 /nfs/dbraw/zinc/07/12/49/1195071249.db2.gz GORPWALTDNEYBX-HXUWFJFHSA-N 2 0 343.515 2.365 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001034539262 1196363405 /nfs/dbraw/zinc/36/34/05/1196363405.db2.gz ZVHPKYHEIVUDGB-AEFFLSMTSA-N 2 0 337.483 2.050 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001034539263 1196363640 /nfs/dbraw/zinc/36/36/40/1196363640.db2.gz ZVHPKYHEIVUDGB-FUHWJXTLSA-N 2 0 337.483 2.050 20 30 EEEDRP CC[C@@H](C(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001202531181 1200802494 /nfs/dbraw/zinc/80/24/94/1200802494.db2.gz BCTZPQVEXBREDG-IBGZPJMESA-N 2 0 345.462 2.098 20 30 EEEDRP COCC[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274981733 1205224618 /nfs/dbraw/zinc/22/46/18/1205224618.db2.gz UHCBZLVOCOPXKC-UHFFFAOYSA-N 2 0 330.476 2.221 20 30 EEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CC2CCOCC2)CC3)cc1C#N ZINC001275171540 1205273223 /nfs/dbraw/zinc/27/32/23/1205273223.db2.gz KZUVJRAPLFPANA-UHFFFAOYSA-N 2 0 342.487 2.221 20 30 EEEDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001275290255 1205299315 /nfs/dbraw/zinc/29/93/15/1205299315.db2.gz BZXRCEZFNPBFBH-HXUWFJFHSA-N 2 0 326.488 2.408 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnco4)C[C@H]3CC2)cc1C#N ZINC001276161812 1205806974 /nfs/dbraw/zinc/80/69/74/1205806974.db2.gz UBPRMRPULMXQBC-CALCHBBNSA-N 2 0 339.443 2.229 20 30 EEEDRP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1)[NH+](C)C ZINC001111035753 1207634208 /nfs/dbraw/zinc/63/42/08/1207634208.db2.gz LMUFXGVVFDCKNE-ZRNYENFQSA-N 2 0 339.483 2.100 20 30 EEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303768929 1213903404 /nfs/dbraw/zinc/90/34/04/1213903404.db2.gz AQOWCDFKRZZMGE-MSOLQXFVSA-N 2 0 339.572 2.378 20 30 EEEDRP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303896113 1213922415 /nfs/dbraw/zinc/92/24/15/1213922415.db2.gz UFMWUOVZGMKGDV-SFHVURJKSA-N 2 0 332.492 2.463 20 30 EEEDRP Cc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)cc1 ZINC000303903187 1213924416 /nfs/dbraw/zinc/92/44/16/1213924416.db2.gz YHGJETRCHVIZPP-KRWDZBQOSA-N 2 0 332.517 2.495 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961197840 1217083557 /nfs/dbraw/zinc/08/35/57/1217083557.db2.gz HANPASOXNWMOEV-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000961375841 1217163845 /nfs/dbraw/zinc/16/38/45/1217163845.db2.gz XOFYUMOCKROENR-VQTJNVASSA-N 2 0 345.531 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961412663 1217180316 /nfs/dbraw/zinc/18/03/16/1217180316.db2.gz UIJAMMPUWYUOHZ-ICSRJNTNSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000963390961 1217587821 /nfs/dbraw/zinc/58/78/21/1217587821.db2.gz PLGCKMJFWOXXKF-FUHWJXTLSA-N 2 0 340.471 2.097 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000965816824 1219264170 /nfs/dbraw/zinc/26/41/70/1219264170.db2.gz UTBWBOFBIHCWLM-WZXTXQKWSA-N 2 0 331.504 2.291 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000968850746 1221621378 /nfs/dbraw/zinc/62/13/78/1221621378.db2.gz HICFFVCCYWNTAV-RHSMWYFYSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000968861228 1221629620 /nfs/dbraw/zinc/62/96/20/1221629620.db2.gz KEUOVWPNEHISKH-YJBOKZPZSA-N 2 0 345.491 2.337 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001016338047 1226362039 /nfs/dbraw/zinc/36/20/39/1226362039.db2.gz VSKJTXFEGGLBHI-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818415 1226902311 /nfs/dbraw/zinc/90/23/11/1226902311.db2.gz DKQKHJUWKLJYFP-UZLBHIALSA-N 2 0 349.494 2.193 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018837417 1228444974 /nfs/dbraw/zinc/44/49/74/1228444974.db2.gz MDQOPUBBUVDZRX-OALUTQOASA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039132588 1230341917 /nfs/dbraw/zinc/34/19/17/1230341917.db2.gz AJZZPMQXBKYSBU-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039134190 1230345199 /nfs/dbraw/zinc/34/51/99/1230345199.db2.gz XSLYDPBDCSRZLW-NZSAHSFTSA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205126 1230431726 /nfs/dbraw/zinc/43/17/26/1230431726.db2.gz KUINWGLNBOPNKE-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233467 1230466551 /nfs/dbraw/zinc/46/65/51/1230466551.db2.gz BPLZBQQKULHYRJ-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542364 1231283284 /nfs/dbraw/zinc/28/32/84/1231283284.db2.gz HHJLWDGNOYDTFU-FQEVSTJZSA-N 2 0 331.504 2.200 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882227 1231394921 /nfs/dbraw/zinc/39/49/21/1231394921.db2.gz AWSJADISDZFFDR-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001045499937 1233781512 /nfs/dbraw/zinc/78/15/12/1233781512.db2.gz KMUVUIQSWKRUNW-UHFFFAOYSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001045673627 1233899255 /nfs/dbraw/zinc/89/92/55/1233899255.db2.gz VTZRCYNPYYGQQA-ZWKOTPCHSA-N 2 0 349.519 2.034 20 30 EEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000900246663 1234119574 /nfs/dbraw/zinc/11/95/74/1234119574.db2.gz RYTHYMJZISSXFZ-GOSISDBHSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001046849220 1235246298 /nfs/dbraw/zinc/24/62/98/1235246298.db2.gz CPSLPQSUPQWHLF-FQEVSTJZSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242871 1235731144 /nfs/dbraw/zinc/73/11/44/1235731144.db2.gz HQJRZNUDIHRQOE-WOJBJXKFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001048480719 1237743784 /nfs/dbraw/zinc/74/37/84/1237743784.db2.gz VKPAJGVJEQXMPK-XLIONFOSSA-N 2 0 345.531 2.206 20 30 EEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001048531373 1237885610 /nfs/dbraw/zinc/88/56/10/1237885610.db2.gz MFVWQAHZKUBWEO-RDGPPVDQSA-N 2 0 331.504 2.243 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC001000334636 1240180834 /nfs/dbraw/zinc/18/08/34/1240180834.db2.gz IYKREXKEEWTQCN-UHFFFAOYSA-N 2 0 331.504 2.101 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768370 1242137123 /nfs/dbraw/zinc/13/71/23/1242137123.db2.gz VYGBVQXXLKKPJP-IPMKNSEASA-N 2 0 331.504 2.340 20 30 EEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001001477133 1242345980 /nfs/dbraw/zinc/34/59/80/1242345980.db2.gz PATGNPFFXUYJOB-IBGZPJMESA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCC)CC1 ZINC001049909735 1242656202 /nfs/dbraw/zinc/65/62/02/1242656202.db2.gz CBUVCYCDGOXLJQ-RBUKOAKNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171597 1247597611 /nfs/dbraw/zinc/59/76/11/1247597611.db2.gz VAOGBCDSHZUKGM-CTNGQTDRSA-N 2 0 343.515 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001054245024 1247862438 /nfs/dbraw/zinc/86/24/38/1247862438.db2.gz MYFSDEWLJCLTAU-OAQYLSRUSA-N 2 0 343.515 2.056 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001099263317 1258051539 /nfs/dbraw/zinc/05/15/39/1258051539.db2.gz QSNODMBOURZCOH-CHWSQXEVSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001099530018 1258193419 /nfs/dbraw/zinc/19/34/19/1258193419.db2.gz ZCTVICCXCXQYNY-VJANTYMQSA-N 2 0 345.531 2.156 20 30 EEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC2(CCOCC2)C1 ZINC001099598723 1258247623 /nfs/dbraw/zinc/24/76/23/1258247623.db2.gz KYHCTQYYJSZJJS-SFHVURJKSA-N 2 0 349.519 2.036 20 30 EEEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001100769276 1259238247 /nfs/dbraw/zinc/23/82/47/1259238247.db2.gz BNJXEQBIACLUGV-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958559 1278092776 /nfs/dbraw/zinc/09/27/76/1278092776.db2.gz BRYDLOSYXJQESU-GJZGRUSLSA-N 2 0 327.432 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC(C)C)[C@@H](C)C2)CC1 ZINC001185729422 1278766412 /nfs/dbraw/zinc/76/64/12/1278766412.db2.gz HRRPVYYJUFYXKY-ICSRJNTNSA-N 2 0 347.547 2.452 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001201149699 1287302848 /nfs/dbraw/zinc/30/28/48/1287302848.db2.gz HHFVUOMAFYJUEW-FQEVSTJZSA-N 2 0 341.499 2.205 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001190899077 1281130443 /nfs/dbraw/zinc/13/04/43/1281130443.db2.gz GXJAVUHJEVRELH-RBUKOAKNSA-N 2 0 345.462 2.050 20 30 EEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201931542 1289804079 /nfs/dbraw/zinc/80/40/79/1289804079.db2.gz LZTAMGPLHKXHCI-GOSISDBHSA-N 2 0 339.524 2.282 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702451 1294757274 /nfs/dbraw/zinc/75/72/74/1294757274.db2.gz ZTJFOSWCDLEDAA-HKUYNNGSSA-N 2 0 341.499 2.397 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001215001692 1296687530 /nfs/dbraw/zinc/68/75/30/1296687530.db2.gz ORGMPNQQBQOYED-CZUORRHYSA-N 2 0 348.516 2.287 20 30 EEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166246 1297045707 /nfs/dbraw/zinc/04/57/07/1297045707.db2.gz UTXLVGIWHMEZIJ-AEFFLSMTSA-N 2 0 345.491 2.092 20 30 EEEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220663844 1298492480 /nfs/dbraw/zinc/49/24/80/1298492480.db2.gz PFQMNYVDGBKNOW-WBVHZDCISA-N 2 0 333.476 2.488 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225087618 1300883452 /nfs/dbraw/zinc/88/34/52/1300883452.db2.gz JTGXICQMQWWEQX-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229860151 1302968799 /nfs/dbraw/zinc/96/87/99/1302968799.db2.gz MVLUECIODZKURH-ZIAGYGMSSA-N 2 0 346.313 2.254 20 30 EEEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001103631295 1303175430 /nfs/dbraw/zinc/17/54/30/1303175430.db2.gz GTOHKJBHYGFWQT-QRVBRYPASA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230618900 1303327265 /nfs/dbraw/zinc/32/72/65/1303327265.db2.gz SPGKFDKNASIUFC-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1cccnc1 ZINC001230763382 1303439900 /nfs/dbraw/zinc/43/99/00/1303439900.db2.gz XQQCBYVZYVRYPS-LJQANCHMSA-N 2 0 344.503 2.449 20 30 EEEDRP C=C(C)C[NH+](CCCNC(=O)C[N@@H+](C)CCC)Cc1cccnc1 ZINC001230905561 1303538514 /nfs/dbraw/zinc/53/85/14/1303538514.db2.gz IIMUGENJLCZKFP-UHFFFAOYSA-N 2 0 332.492 2.308 20 30 EEEDRP CN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(F)c1C#N ZINC001233095769 1304359714 /nfs/dbraw/zinc/35/97/14/1304359714.db2.gz AASVOPPZPDBXPS-UHFFFAOYSA-N 2 0 339.418 2.481 20 30 EEEDRP C=CCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001277787987 1304496091 /nfs/dbraw/zinc/49/60/91/1304496091.db2.gz CIBBKMGTCVERSY-QFBILLFUSA-N 2 0 345.491 2.204 20 30 EEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001115117147 1304703153 /nfs/dbraw/zinc/70/31/53/1304703153.db2.gz VEWQCCUNYTXAPH-MANSERQUSA-N 2 0 327.472 2.302 20 30 EEEDRP CCc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1C#N ZINC001238776955 1308954252 /nfs/dbraw/zinc/95/42/52/1308954252.db2.gz XCZHCFBBCTXPGM-VQTJNVASSA-N 2 0 326.488 2.331 20 30 EEEDRP N#Cc1cc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240350705 1309309613 /nfs/dbraw/zinc/30/96/13/1309309613.db2.gz DYWLTENIENABRL-UHFFFAOYSA-N 2 0 332.451 2.317 20 30 EEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC001245980185 1310198875 /nfs/dbraw/zinc/19/88/75/1310198875.db2.gz BTOJJRGQJWASOP-GOSISDBHSA-N 2 0 341.540 2.290 20 30 EEEDRP C=C[C@](C)(O)C[NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1 ZINC001246011833 1310209720 /nfs/dbraw/zinc/20/97/20/1310209720.db2.gz KATHWXCMSCZCMH-WMZOPIPTSA-N 2 0 336.501 2.471 20 30 EEEDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC001246081921 1310231744 /nfs/dbraw/zinc/23/17/44/1310231744.db2.gz JYYJVPNSSBFWTD-NVXWUHKLSA-N 2 0 340.471 2.141 20 30 EEEDRP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001248750380 1310931287 /nfs/dbraw/zinc/93/12/87/1310931287.db2.gz IAUKYPVJZRXJOU-VQTJNVASSA-N 2 0 326.488 2.331 20 30 EEEDRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152224437 1316647398 /nfs/dbraw/zinc/64/73/98/1316647398.db2.gz XJTRXVKCNORWSF-UHFFFAOYSA-N 2 0 347.890 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](CC)c2ccc(F)cc2)CC1 ZINC001152329813 1316657500 /nfs/dbraw/zinc/65/75/00/1316657500.db2.gz BKBUXSYFPOHMDQ-IBGZPJMESA-N 2 0 345.462 2.328 20 30 EEEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001152557213 1316688607 /nfs/dbraw/zinc/68/86/07/1316688607.db2.gz VNROHTQAWBSJEW-SJORKVTESA-N 2 0 327.513 2.114 20 30 EEEDRP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155247205 1317520506 /nfs/dbraw/zinc/52/05/06/1317520506.db2.gz DBAIRBIIQURIEO-GFCCVEGCSA-N 2 0 332.411 2.348 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@H](C(=O)OCC)C2)CC1 ZINC001257070734 1318934928 /nfs/dbraw/zinc/93/49/28/1318934928.db2.gz OLADGHSOORXKPU-OALUTQOASA-N 2 0 349.519 2.010 20 30 EEEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC001257204795 1318963046 /nfs/dbraw/zinc/96/30/46/1318963046.db2.gz PCTQQIATXZIJOJ-SFHVURJKSA-N 2 0 329.488 2.354 20 30 EEEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001160267716 1320116915 /nfs/dbraw/zinc/11/69/15/1320116915.db2.gz QOCUEWGQPWKZSV-IBGZPJMESA-N 2 0 327.472 2.008 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001160826732 1320281662 /nfs/dbraw/zinc/28/16/62/1320281662.db2.gz OSARXGBDQNGBLQ-UHFFFAOYSA-N 2 0 339.483 2.010 20 30 EEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)(COC)CC1 ZINC001162539192 1320891694 /nfs/dbraw/zinc/89/16/94/1320891694.db2.gz LIOLUUWGOIFGIA-UHFFFAOYSA-N 2 0 339.524 2.139 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001162810120 1320964965 /nfs/dbraw/zinc/96/49/65/1320964965.db2.gz DRUJTMXIRSOCOE-HXUWFJFHSA-N 2 0 341.499 2.175 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001162832331 1320970090 /nfs/dbraw/zinc/97/00/90/1320970090.db2.gz PCHPBSPYJNSACV-UHFFFAOYSA-N 2 0 341.499 2.155 20 30 EEEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001166971955 1321828504 /nfs/dbraw/zinc/82/85/04/1321828504.db2.gz TXRRSRHPLAKXLA-UHFFFAOYSA-N 2 0 346.450 2.025 20 30 EEEDRP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001203902515 1321985329 /nfs/dbraw/zinc/98/53/29/1321985329.db2.gz HWXPWLDGHLTRBE-UHFFFAOYSA-N 2 0 335.455 2.409 20 30 EEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4CCCO4)C[C@H]3CC2)cc1C#N ZINC001276433708 1322008769 /nfs/dbraw/zinc/00/87/69/1322008769.db2.gz OOIQVZDDAZHYDA-NSHGMRRFSA-N 2 0 342.487 2.220 20 30 EEEDRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266170255 1323738799 /nfs/dbraw/zinc/73/87/99/1323738799.db2.gz PQXAUWHVABEMIH-INIZCTEOSA-N 2 0 345.462 2.003 20 30 EEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210340954 1325247038 /nfs/dbraw/zinc/24/70/38/1325247038.db2.gz ZMMCCGYUYWUJFF-IRXDYDNUSA-N 2 0 337.508 2.033 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210482018 1325302054 /nfs/dbraw/zinc/30/20/54/1325302054.db2.gz JFGHWXWUMCFMLC-GOSISDBHSA-N 2 0 346.450 2.120 20 30 EEEDRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001333139842 1335969731 /nfs/dbraw/zinc/96/97/31/1335969731.db2.gz CXNZSENDQYJPPG-SOAGJPPSSA-N 2 0 341.499 2.203 20 30 EEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)CCCO1 ZINC001200653242 1338503169 /nfs/dbraw/zinc/50/31/69/1338503169.db2.gz HDOFVMVFMSYTKJ-GOSISDBHSA-N 2 0 348.491 2.296 20 30 EEEDRP N#CCCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c(-c2ccncc2)n1 ZINC001580052745 1344459889 /nfs/dbraw/zinc/45/98/89/1344459889.db2.gz UJNZOQPEBKIYSR-IRXDYDNUSA-N 2 0 336.443 2.218 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202148466 1368880992 /nfs/dbraw/zinc/88/09/92/1368880992.db2.gz VPMZPJCOVUNQAR-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001367775338 1374259007 /nfs/dbraw/zinc/25/90/07/1374259007.db2.gz DMUOHFHFRBOMSS-HNNXBMFYSA-N 2 0 346.450 2.168 20 30 EEEDRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001371867081 1375658661 /nfs/dbraw/zinc/65/86/61/1375658661.db2.gz GNYVCMRMBSSKQZ-YJBOKZPZSA-N 2 0 330.476 2.129 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001374384697 1376755504 /nfs/dbraw/zinc/75/55/04/1376755504.db2.gz NNMGMKAGCNAYJC-RHSMWYFYSA-N 2 0 348.516 2.288 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001378457879 1380000480 /nfs/dbraw/zinc/00/04/80/1380000480.db2.gz XTUKRHOOFBSYPY-WGSAOQKQSA-N 2 0 342.487 2.417 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001380155409 1381077489 /nfs/dbraw/zinc/07/74/89/1381077489.db2.gz AOMDBQQXKBOVPJ-ACBHZAAOSA-N 2 0 342.487 2.223 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001394672821 1390735594 /nfs/dbraw/zinc/73/55/94/1390735594.db2.gz SNDOPLCCIUHBJS-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001401086750 1396923997 /nfs/dbraw/zinc/92/39/97/1396923997.db2.gz QFCLFRNXEVXDJF-GOSISDBHSA-N 2 0 349.906 2.494 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001401507405 1397414526 /nfs/dbraw/zinc/41/45/26/1397414526.db2.gz XPVBFOUEJJUHSW-OALUTQOASA-N 2 0 342.487 2.275 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001402977742 1398301244 /nfs/dbraw/zinc/30/12/44/1398301244.db2.gz VLTXGSVGVJOJCL-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586558 1400051832 /nfs/dbraw/zinc/05/18/32/1400051832.db2.gz BCMSKHHKDJOJBD-QAPCUYQASA-N 2 0 330.476 2.081 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001422936109 1400292626 /nfs/dbraw/zinc/29/26/26/1400292626.db2.gz MULHAKYDUOYZGF-HZPDHXFCSA-N 2 0 327.900 2.345 20 30 EEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001755183985 1407189280 /nfs/dbraw/zinc/18/92/80/1407189280.db2.gz VRDYBGFXYCYTRJ-UHFFFAOYSA-N 2 0 331.504 2.056 20 30 EEEDRP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755516992 1407571139 /nfs/dbraw/zinc/57/11/39/1407571139.db2.gz RAPIURWZJKIMON-IAGOWNOFSA-N 2 0 342.487 2.275 20 30 EEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071973 1410518846 /nfs/dbraw/zinc/51/88/46/1410518846.db2.gz MYFXDNSEELVGOE-QZTJIDSGSA-N 2 0 339.524 2.016 20 30 EEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104257001 757740709 /nfs/dbraw/zinc/74/07/09/757740709.db2.gz ZSMBYUUDFYTCTR-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075454045 760709019 /nfs/dbraw/zinc/70/90/19/760709019.db2.gz JWYOKMQLFAWZNN-QUCCMNQESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@H]21 ZINC001087293166 761498802 /nfs/dbraw/zinc/49/88/02/761498802.db2.gz ZKPUTJNETRHGCL-OLMNPRSZSA-N 2 0 336.439 2.415 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH]ccc-2n1 ZINC001087293164 761498935 /nfs/dbraw/zinc/49/89/35/761498935.db2.gz ZKPUTJNETRHGCL-FHLIZLRMSA-N 2 0 336.439 2.415 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098606780 765221773 /nfs/dbraw/zinc/22/17/73/765221773.db2.gz VKXWZIQJBHHPSY-ROUUACIJSA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001104896513 765524489 /nfs/dbraw/zinc/52/44/89/765524489.db2.gz CBVPUSRANXFHNP-RLLQIKCJSA-N 2 0 341.499 2.387 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540208 770171128 /nfs/dbraw/zinc/17/11/28/770171128.db2.gz SIOUPAMZHCICGI-OAHLLOKOSA-N 2 0 339.911 2.442 20 30 EEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]2C1 ZINC001088052230 782824163 /nfs/dbraw/zinc/82/41/63/782824163.db2.gz DPRJKIAQZJZUIR-MOPGFXCFSA-N 2 0 341.499 2.371 20 30 EEEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(C#N)c3)CC2)CC1 ZINC000893564843 770861410 /nfs/dbraw/zinc/86/14/10/770861410.db2.gz VKIIGBPSJOIQPW-UHFFFAOYSA-N 2 0 332.517 2.469 20 30 EEEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027892503 774072347 /nfs/dbraw/zinc/07/23/47/774072347.db2.gz XINAJMIMZKHDSV-JKIFEVAISA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719687 774685493 /nfs/dbraw/zinc/68/54/93/774685493.db2.gz JFSHJKYRHCPFAT-LJQANCHMSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981341198 777184805 /nfs/dbraw/zinc/18/48/05/777184805.db2.gz RBNGOGSHAVENQB-RBUKOAKNSA-N 2 0 327.472 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089847743 777907173 /nfs/dbraw/zinc/90/71/73/777907173.db2.gz XKPGGMOLKYYABI-OKYOBFRVSA-N 2 0 343.515 2.053 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720306 779709421 /nfs/dbraw/zinc/70/94/21/779709421.db2.gz DQQNGPPUUOTVOU-GBESFXJTSA-N 2 0 327.472 2.098 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(CC)CC)CC1 ZINC001028332970 780772134 /nfs/dbraw/zinc/77/21/34/780772134.db2.gz AFZLIBDISFMVKQ-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087519703 781646482 /nfs/dbraw/zinc/64/64/82/781646482.db2.gz YRUWNMSMIJTATC-IPMKNSEASA-N 2 0 340.471 2.122 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395645 781887135 /nfs/dbraw/zinc/88/71/35/781887135.db2.gz BYKRMCQAIDQAJH-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001135437148 783766764 /nfs/dbraw/zinc/76/67/64/783766764.db2.gz PBEZVOVZBCDDTP-UHFFFAOYSA-N 2 0 330.476 2.276 20 30 EEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575043 783900020 /nfs/dbraw/zinc/90/00/20/783900020.db2.gz OMNINOIJEMVWLJ-OALUTQOASA-N 2 0 333.520 2.443 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257272 784206950 /nfs/dbraw/zinc/20/69/50/784206950.db2.gz VGCQIHNYFSDKOZ-HDICACEKSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035538352 784641394 /nfs/dbraw/zinc/64/13/94/784641394.db2.gz ZQBRILDRHIABDN-ROUUACIJSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995825002 785726202 /nfs/dbraw/zinc/72/62/02/785726202.db2.gz MEWADBGLHWDMON-RRFJBIMHSA-N 2 0 327.900 2.296 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC000996691203 787150169 /nfs/dbraw/zinc/15/01/69/787150169.db2.gz ICSUSRBQBJHBNB-IBGZPJMESA-N 2 0 342.487 2.225 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859176 788820992 /nfs/dbraw/zinc/82/09/92/788820992.db2.gz MLMNEAILRZFIGL-HAGHYFMRSA-N 2 0 345.531 2.301 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c(OC)c1 ZINC000923346867 789424611 /nfs/dbraw/zinc/42/46/11/789424611.db2.gz WIPCMJVOGYITDA-RCCFBDPRSA-N 2 0 348.487 2.223 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114566 790135478 /nfs/dbraw/zinc/13/54/78/790135478.db2.gz WRTQALFPKCQBCM-KFWWJZLASA-N 2 0 347.425 2.272 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC001089059215 792021509 /nfs/dbraw/zinc/02/15/09/792021509.db2.gz DSEDMEMZKZTVEA-AEFFLSMTSA-N 2 0 333.520 2.347 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC000998265367 792385329 /nfs/dbraw/zinc/38/53/29/792385329.db2.gz HJWRHNZMBZPXFE-KBPBESRZSA-N 2 0 344.381 2.287 20 30 EEEDRP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629580 792590745 /nfs/dbraw/zinc/59/07/45/792590745.db2.gz DNHYKZLMYUTZRG-OALUTQOASA-N 2 0 327.472 2.266 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C/C=C/Cl)CC3)CC1 ZINC000992510250 794455712 /nfs/dbraw/zinc/45/57/12/794455712.db2.gz PFIWIZYAONJPNG-CZXUICPOSA-N 2 0 349.906 2.197 20 30 EEEDRP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C(C)(C)[NH+]1CCCC1)CCO2 ZINC001093403337 795139867 /nfs/dbraw/zinc/13/98/67/795139867.db2.gz PMXSGAUVOAULHL-UHFFFAOYSA-N 2 0 349.519 2.177 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001093408221 795146588 /nfs/dbraw/zinc/14/65/88/795146588.db2.gz ZCCZOVAWINRDPE-HFCFLWKCSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378316 795477752 /nfs/dbraw/zinc/47/77/52/795477752.db2.gz LVWGHOFSMAHFNX-IUODEOHRSA-N 2 0 332.835 2.385 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036860012 795510781 /nfs/dbraw/zinc/51/07/81/795510781.db2.gz ZIERXXMYJPSQIL-OALUTQOASA-N 2 0 331.504 2.053 20 30 EEEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)[NH+](C)C ZINC001093858887 795741839 /nfs/dbraw/zinc/74/18/39/795741839.db2.gz LIFVEEMWBUFELG-ATZDWAIDSA-N 2 0 342.487 2.083 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081667840 796844118 /nfs/dbraw/zinc/84/41/18/796844118.db2.gz BQUZWBIGMLZESY-IAGOWNOFSA-N 2 0 337.508 2.033 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757671 796936687 /nfs/dbraw/zinc/93/66/87/796936687.db2.gz YURPXGMXMTUXGP-CVEARBPZSA-N 2 0 339.911 2.488 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012495 797226371 /nfs/dbraw/zinc/22/63/71/797226371.db2.gz UXZZEFZPAPGBGU-APWZRJJASA-N 2 0 327.472 2.354 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C)CC1 ZINC000994498558 798095307 /nfs/dbraw/zinc/09/53/07/798095307.db2.gz NBMKCTBVRLTGCC-YLJYHZDGSA-N 2 0 345.531 2.491 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470430 798218286 /nfs/dbraw/zinc/21/82/86/798218286.db2.gz JDKMUCSUVAYYQF-SJLPKXTDSA-N 2 0 331.504 2.195 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084446207 798230654 /nfs/dbraw/zinc/23/06/54/798230654.db2.gz XMSQXRJQPJLBKA-QZTJIDSGSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176601385 798516394 /nfs/dbraw/zinc/51/63/94/798516394.db2.gz TZHWDKXGIGHBQE-ROUUACIJSA-N 2 0 339.524 2.186 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176737041 798542129 /nfs/dbraw/zinc/54/21/29/798542129.db2.gz FWUADBFKGIABIT-SFHVURJKSA-N 2 0 339.524 2.330 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001016335543 798677842 /nfs/dbraw/zinc/67/78/42/798677842.db2.gz DVZHEABJDWYWFN-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001112585519 806695356 /nfs/dbraw/zinc/69/53/56/806695356.db2.gz CQTSYICTLOJLJK-ZVDOUQERSA-N 2 0 345.531 2.348 20 30 EEEDRP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001178902586 799692246 /nfs/dbraw/zinc/69/22/46/799692246.db2.gz XSJVXYCHKUZQLR-PXNSSMCTSA-N 2 0 339.483 2.101 20 30 EEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561850 799974275 /nfs/dbraw/zinc/97/42/75/799974275.db2.gz UAWMBFYMZMIXPK-BZSNNMDCSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554238 799989093 /nfs/dbraw/zinc/98/90/93/799989093.db2.gz WMDXZUXFNMKCDC-HKUYNNGSSA-N 2 0 329.488 2.316 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179764231 800095715 /nfs/dbraw/zinc/09/57/15/800095715.db2.gz VEFCMTCFZKPREO-BBRMVZONSA-N 2 0 334.489 2.041 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001179763593 800096161 /nfs/dbraw/zinc/09/61/61/800096161.db2.gz MFUYYKLPIZFLTJ-KSSFIOAISA-N 2 0 346.450 2.118 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001180259333 800336429 /nfs/dbraw/zinc/33/64/29/800336429.db2.gz BWZGICLKPCAKDK-FQEVSTJZSA-N 2 0 341.499 2.256 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181800777 800908677 /nfs/dbraw/zinc/90/86/77/800908677.db2.gz BEVKVIKPLQDZFE-UKPHBRMFSA-N 2 0 329.916 2.399 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085646982 800959140 /nfs/dbraw/zinc/95/91/40/800959140.db2.gz XOVRGUCVIKOZJR-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346803 801129357 /nfs/dbraw/zinc/12/93/57/801129357.db2.gz XXILQFNUKNKCPP-QWFCFKBJSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498100 802229850 /nfs/dbraw/zinc/22/98/50/802229850.db2.gz MJYIRMWSISMGMT-UXHICEINSA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086400156 802896760 /nfs/dbraw/zinc/89/67/60/802896760.db2.gz XNYYJKHZHMEDEY-SHTZXODSSA-N 2 0 325.884 2.099 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607189 809714483 /nfs/dbraw/zinc/71/44/83/809714483.db2.gz PCOFQYRXVNEUGU-VQTJNVASSA-N 2 0 341.499 2.489 20 30 EEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436840883 1088474523 /nfs/dbraw/zinc/47/45/23/1088474523.db2.gz KLQMFFDLQJWWJO-HNNXBMFYSA-N 2 0 327.900 2.251 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001445502441 1091280522 /nfs/dbraw/zinc/28/05/22/1091280522.db2.gz KSTNFHOXVSQUSN-CQSZACIVSA-N 2 0 346.313 2.255 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001441670735 1095643062 /nfs/dbraw/zinc/64/30/62/1095643062.db2.gz FDKMGVMXHWOIDV-LSDHHAIUSA-N 2 0 327.900 2.440 20 30 EEEDRP CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(C#N)s1 ZINC001442697121 1097067311 /nfs/dbraw/zinc/06/73/11/1097067311.db2.gz XIROWMVJGVYXIR-UHFFFAOYSA-N 2 0 346.500 2.186 20 30 EEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCC[NH+](C)C ZINC001446444450 1100865719 /nfs/dbraw/zinc/86/57/19/1100865719.db2.gz PCLILODEPHAPEZ-HUUCEWRRSA-N 2 0 348.516 2.431 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001498493690 1107629469 /nfs/dbraw/zinc/62/94/69/1107629469.db2.gz YVOLICZUMZDNHM-GJZGRUSLSA-N 2 0 327.900 2.345 20 30 EEEDRP N#Cc1cccc(CN2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001499127887 1112138251 /nfs/dbraw/zinc/13/82/51/1112138251.db2.gz RJCGPLURGVBQDK-LJQANCHMSA-N 2 0 340.471 2.125 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001507328501 1115194912 /nfs/dbraw/zinc/19/49/12/1115194912.db2.gz PHHHMHAJKTVHTA-WMLDXEAASA-N 2 0 346.450 2.118 20 30 EEEDRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Cn3cc(C)cn3)CC2)CC1 ZINC000329107900 539766946 /nfs/dbraw/zinc/76/69/46/539766946.db2.gz FBTXSDXIWVVZNI-UHFFFAOYSA-N 2 0 347.507 2.344 20 30 EEEDRP COc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000174325642 533658679 /nfs/dbraw/zinc/65/86/79/533658679.db2.gz ZSKLOIHBKANCHA-UHFFFAOYSA-N 2 0 342.487 2.215 20 30 EEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000550157215 318447566 /nfs/dbraw/zinc/44/75/66/318447566.db2.gz VISIEXLJAKFQPY-HZPDHXFCSA-N 2 0 340.475 2.449 20 30 EEEDRP COCCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000066243395 462865853 /nfs/dbraw/zinc/86/58/53/462865853.db2.gz DWOBBFLEIHFPIL-HZPDHXFCSA-N 2 0 332.492 2.215 20 30 EEEDRP CC[NH+]=C(NCc1cc(F)ccc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000125606819 463561589 /nfs/dbraw/zinc/56/15/89/463561589.db2.gz QVUZFHRNBZJZFJ-MRXNPFEDSA-N 2 0 334.414 2.376 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555460 463615513 /nfs/dbraw/zinc/61/55/13/463615513.db2.gz YYCBZGJMHCQJJL-MSOLQXFVSA-N 2 0 336.524 2.326 20 30 EEEDRP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cn1ccnc1 ZINC000278765995 463982823 /nfs/dbraw/zinc/98/28/23/463982823.db2.gz XVYZOKFXEWPHAB-INIZCTEOSA-N 2 0 349.442 2.481 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CC1 ZINC000264162849 464288835 /nfs/dbraw/zinc/28/88/35/464288835.db2.gz BPXYFZPJPMXAFC-OAHLLOKOSA-N 2 0 330.476 2.115 20 30 EEEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000245685395 464506265 /nfs/dbraw/zinc/50/62/65/464506265.db2.gz KUDDMUGAHDFRGJ-ROUUACIJSA-N 2 0 334.508 2.335 20 30 EEEDRP COCCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000267436272 464931748 /nfs/dbraw/zinc/93/17/48/464931748.db2.gz NYNFJHFAXKZMEE-UHFFFAOYSA-N 2 0 338.883 2.103 20 30 EEEDRP CCNC(NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)=[NH+]CC ZINC000267471603 464934001 /nfs/dbraw/zinc/93/40/01/464934001.db2.gz YANUXMDQFICISE-UHFFFAOYSA-N 2 0 335.471 2.043 20 30 EEEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345804400 465905575 /nfs/dbraw/zinc/90/55/75/465905575.db2.gz ZGTJKXNWJXXLQR-MRXNPFEDSA-N 2 0 334.508 2.381 20 30 EEEDRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000421358797 466654510 /nfs/dbraw/zinc/65/45/10/466654510.db2.gz UVOXITTWDBSHFX-UHFFFAOYSA-N 2 0 330.451 2.157 20 30 EEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000368531340 466661427 /nfs/dbraw/zinc/66/14/27/466661427.db2.gz UTIPAKFZDDHHNX-KURKYZTESA-N 2 0 335.492 2.270 20 30 EEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000422163373 466668478 /nfs/dbraw/zinc/66/84/78/466668478.db2.gz FPWGHRGWWHZNCZ-ROUUACIJSA-N 2 0 336.524 2.421 20 30 EEEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000592260333 468666979 /nfs/dbraw/zinc/66/69/79/468666979.db2.gz XDIIYUIKTHCWFZ-QZTJIDSGSA-N 2 0 328.460 2.351 20 30 EEEDRP C[C@@H](CC#N)NCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862112 469126330 /nfs/dbraw/zinc/12/63/30/469126330.db2.gz LBIMBODHRNIDIM-WMLDXEAASA-N 2 0 348.878 2.485 20 30 EEEDRP N#Cc1cccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000563340279 469230403 /nfs/dbraw/zinc/23/04/03/469230403.db2.gz XJCQBCWORZDVOH-UHFFFAOYSA-N 2 0 348.450 2.282 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021200 782133726 /nfs/dbraw/zinc/13/37/26/782133726.db2.gz CJQJHEFCICIIPV-WOJBJXKFSA-N 2 0 339.483 2.151 20 30 EEEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]CCC#N)CC2)CC1 ZINC000496176333 534834854 /nfs/dbraw/zinc/83/48/54/534834854.db2.gz SUDWTNRMHIBZLD-UHFFFAOYSA-N 2 0 336.480 2.354 20 30 EEEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCc2ccccc21 ZINC000088328856 528803480 /nfs/dbraw/zinc/80/34/80/528803480.db2.gz APOBRZAVABRALO-UHFFFAOYSA-N 2 0 330.476 2.125 20 30 EEEDRP C#CCCOc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000733324162 577222796 /nfs/dbraw/zinc/22/27/96/577222796.db2.gz KSLJXNVGBMDDRY-UHFFFAOYSA-N 2 0 329.488 2.204 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396171 674608002 /nfs/dbraw/zinc/60/80/02/674608002.db2.gz IKSKZUOFWRLDIT-JOCQHMNTSA-N 2 0 349.232 2.093 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001021090516 675716220 /nfs/dbraw/zinc/71/62/20/675716220.db2.gz YBVPXNQZAUILOS-NSISKUIASA-N 2 0 339.483 2.330 20 30 EEEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021094573 675719197 /nfs/dbraw/zinc/71/91/97/675719197.db2.gz UDOCMYNRBFHKKW-FHWLQOOXSA-N 2 0 340.471 2.169 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001021638399 676293943 /nfs/dbraw/zinc/29/39/43/676293943.db2.gz DSRGNSMAPGURHC-ICSRJNTNSA-N 2 0 348.450 2.432 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001022165755 676713074 /nfs/dbraw/zinc/71/30/74/676713074.db2.gz DWIANIIMWURDAI-HZSPNIEDSA-N 2 0 344.297 2.006 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972419158 678714130 /nfs/dbraw/zinc/71/41/30/678714130.db2.gz BOXLPZFRSALPNW-ICSRJNTNSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369139 679276213 /nfs/dbraw/zinc/27/62/13/679276213.db2.gz AMCQMWWSAQSJTH-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001023411815 679296081 /nfs/dbraw/zinc/29/60/81/679296081.db2.gz JQXMNGFIYXXLDG-HKUYNNGSSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802200 682258874 /nfs/dbraw/zinc/25/88/74/682258874.db2.gz KGBYVARPALZOHT-GOSISDBHSA-N 2 0 329.488 2.419 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627625 683153607 /nfs/dbraw/zinc/15/36/07/683153607.db2.gz AJQBPNDPGFWFEA-PXNSSMCTSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC000992865829 683602290 /nfs/dbraw/zinc/60/22/90/683602290.db2.gz ZRRJSCIAMGUEKN-HSALFYBXSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001026319206 684253434 /nfs/dbraw/zinc/25/34/34/684253434.db2.gz QCKMUTNNFJCGRB-YSIASYRMSA-N 2 0 341.499 2.417 20 30 EEEDRP CC(C)[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CC[NH+](C)CC1 ZINC000236697388 684884316 /nfs/dbraw/zinc/88/43/16/684884316.db2.gz VVLYRKVKASYOJJ-FXAWDEMLSA-N 2 0 344.503 2.339 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262370460 685680980 /nfs/dbraw/zinc/68/09/80/685680980.db2.gz INFUJAHOIWBJAI-GVDBMIGSSA-N 2 0 334.508 2.005 20 30 EEEDRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C#N)C1)[NH+](C)C ZINC001029767039 687035350 /nfs/dbraw/zinc/03/53/50/687035350.db2.gz KSFVSROZUIQERW-VQIMIIECSA-N 2 0 342.487 2.179 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391386 691668342 /nfs/dbraw/zinc/66/83/42/691668342.db2.gz ROXBHHZWSOOGEQ-ZFWWWQNUSA-N 2 0 346.500 2.041 20 30 EEEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@@H](C)C1 ZINC000086230679 692385015 /nfs/dbraw/zinc/38/50/15/692385015.db2.gz RGPJZMGCXBGCRS-QGZVFWFLSA-N 2 0 336.524 2.329 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107029452 1192716505 /nfs/dbraw/zinc/71/65/05/1192716505.db2.gz VWPCCMAGJHSSAD-VQIMIIECSA-N 2 0 327.472 2.069 20 30 EEEDRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001482532653 1186535969 /nfs/dbraw/zinc/53/59/69/1186535969.db2.gz HJOCLFAZEXJFON-LJQANCHMSA-N 2 0 342.487 2.273 20 30 EEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105561146 1188177636 /nfs/dbraw/zinc/17/76/36/1188177636.db2.gz IKLDPHZLGOXSJK-LJQANCHMSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001168308500 1188279729 /nfs/dbraw/zinc/27/97/29/1188279729.db2.gz VUDIHXRMHVRJSB-KRWDZBQOSA-N 2 0 333.520 2.254 20 30 EEEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCCCC1)C[C@@H](C)O2 ZINC001098662981 1188849180 /nfs/dbraw/zinc/84/91/80/1188849180.db2.gz RSBKVBQWVPHNEP-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001483908468 1191120306 /nfs/dbraw/zinc/12/03/06/1191120306.db2.gz KVVWOFBKGLJJBC-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033414828 1194534292 /nfs/dbraw/zinc/53/42/92/1194534292.db2.gz FFVPELLPDJVHIS-VQIMIIECSA-N 2 0 340.471 2.075 20 30 EEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442656 1194574318 /nfs/dbraw/zinc/57/43/18/1194574318.db2.gz PYGIRTAVWDPLOW-OTWHNJEPSA-N 2 0 327.472 2.051 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202226 1199446185 /nfs/dbraw/zinc/44/61/85/1199446185.db2.gz DYGGRLMYFDIXAI-ROUUACIJSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001132264785 1199502268 /nfs/dbraw/zinc/50/22/68/1199502268.db2.gz BLCSFWSIOGLTSY-NVXWUHKLSA-N 2 0 349.475 2.127 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001133016003 1200314323 /nfs/dbraw/zinc/31/43/23/1200314323.db2.gz KKZVODQDNSBOGI-IEBWSBKVSA-N 2 0 341.499 2.112 20 30 EEEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001133090925 1200432413 /nfs/dbraw/zinc/43/24/13/1200432413.db2.gz MJKVZEMXYNOJST-HUUCEWRRSA-N 2 0 348.516 2.146 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)CN2CCc3sccc3C2)CC1 ZINC001006439027 1209465921 /nfs/dbraw/zinc/46/59/21/1209465921.db2.gz NGWYCIOCGOPBCM-UHFFFAOYSA-N 2 0 345.512 2.052 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCc3ccccc3[C@H]2C[NH2+]CC)CC1 ZINC000958809059 1213847880 /nfs/dbraw/zinc/84/78/80/1213847880.db2.gz AKVYKMPPDSNYIM-HXUWFJFHSA-N 2 0 339.483 2.067 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1 ZINC000303768703 1213903337 /nfs/dbraw/zinc/90/33/37/1213903337.db2.gz ANWJFFFVOIWRBV-CQSZACIVSA-N 2 0 339.281 2.338 20 30 EEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000303881101 1213919385 /nfs/dbraw/zinc/91/93/85/1213919385.db2.gz HKFPKVUENBXZOT-HZPDHXFCSA-N 2 0 332.492 2.358 20 30 EEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCSCC1)Cc1ccccc1 ZINC000303884902 1213919612 /nfs/dbraw/zinc/91/96/12/1213919612.db2.gz JJMLABAGWXJGLF-QGZVFWFLSA-N 2 0 334.533 2.303 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603035 1215248477 /nfs/dbraw/zinc/24/84/77/1215248477.db2.gz LUVLUULLVWGJRP-ROUUACIJSA-N 2 0 333.520 2.465 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000304806855 1216106906 /nfs/dbraw/zinc/10/69/06/1216106906.db2.gz SOUUCKCCNRANDH-UKRRQHHQSA-N 2 0 338.883 2.496 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC000959922800 1216233342 /nfs/dbraw/zinc/23/33/42/1216233342.db2.gz DHYMZGBYCRAUST-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960717080 1216829095 /nfs/dbraw/zinc/82/90/95/1216829095.db2.gz KNUJSABPEAPJFQ-RTBURBONSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206472 1217089071 /nfs/dbraw/zinc/08/90/71/1217089071.db2.gz DVLIUIKAYKMXEC-SJORKVTESA-N 2 0 336.439 2.142 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226621 1217097653 /nfs/dbraw/zinc/09/76/53/1217097653.db2.gz BXTLPGCCWGFIDT-RTBURBONSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](C(C)C)C3)C2)CC1 ZINC000961293795 1217132212 /nfs/dbraw/zinc/13/22/12/1217132212.db2.gz QZMCGYYARIUGCY-UXHICEINSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961375757 1217164067 /nfs/dbraw/zinc/16/40/67/1217164067.db2.gz QIFIWCDQYZHTLH-PMACEKPBSA-N 2 0 345.531 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961376816 1217164545 /nfs/dbraw/zinc/16/45/45/1217164545.db2.gz DJDMOWHSWNUZGM-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961384179 1217168095 /nfs/dbraw/zinc/16/80/95/1217168095.db2.gz NVLPGACETRJRBY-IBGZPJMESA-N 2 0 343.515 2.199 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410269 1217179228 /nfs/dbraw/zinc/17/92/28/1217179228.db2.gz GFGICTPXYGCLDC-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961440139 1217191109 /nfs/dbraw/zinc/19/11/09/1217191109.db2.gz JYTQYOUTYXFJKR-MOPGFXCFSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384291 1217580851 /nfs/dbraw/zinc/58/08/51/1217580851.db2.gz SSEDBMYZBYUWGF-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037859231 1219615794 /nfs/dbraw/zinc/61/57/94/1219615794.db2.gz IMRICSDFLYYHKR-GOEBONIOSA-N 2 0 327.900 2.440 20 30 EEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000968947083 1221693928 /nfs/dbraw/zinc/69/39/28/1221693928.db2.gz LDQTXZYIYXTZCG-KRWDZBQOSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001016621288 1226694014 /nfs/dbraw/zinc/69/40/14/1226694014.db2.gz NWITWPXAQGLLCN-ZWKOTPCHSA-N 2 0 331.504 2.265 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754555 1226843139 /nfs/dbraw/zinc/84/31/39/1226843139.db2.gz OLRKOYGRSQURCD-ZWKOTPCHSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C/C=C/Cl)CC3)CC1 ZINC001016984579 1227014380 /nfs/dbraw/zinc/01/43/80/1227014380.db2.gz FHPHGQSOPZYSKC-HJYWZVSTSA-N 2 0 349.906 2.055 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020250390 1229583329 /nfs/dbraw/zinc/58/33/29/1229583329.db2.gz FAJOCFLQIJQKNQ-FHWLQOOXSA-N 2 0 329.488 2.211 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205123 1230431399 /nfs/dbraw/zinc/43/13/99/1230431399.db2.gz KUINWGLNBOPNKE-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235855 1230468669 /nfs/dbraw/zinc/46/86/69/1230468669.db2.gz RTYNXDDEAAMTNB-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039301437 1230516749 /nfs/dbraw/zinc/51/67/49/1230516749.db2.gz IPQZIBHREYJILL-XVLXNVKGSA-N 2 0 331.504 2.384 20 30 EEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039308699 1230520074 /nfs/dbraw/zinc/52/00/74/1230520074.db2.gz IUXTVLIJNGISEK-IHWFROFDSA-N 2 0 343.515 2.243 20 30 EEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040722703 1231348557 /nfs/dbraw/zinc/34/85/57/1231348557.db2.gz DRMKTZZBLSBXHA-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757389 1231359685 /nfs/dbraw/zinc/35/96/85/1231359685.db2.gz RRMJUWYJROOURU-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC001040947692 1231408356 /nfs/dbraw/zinc/40/83/56/1231408356.db2.gz ATJNYUCPVZRUCL-UHFFFAOYSA-N 2 0 343.515 2.056 20 30 EEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001041677383 1231647001 /nfs/dbraw/zinc/64/70/01/1231647001.db2.gz BJOHAHIUYRDQNQ-RTBURBONSA-N 2 0 337.483 2.309 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC4CCC4)[C@H]3C2)CC1 ZINC001042367609 1232049748 /nfs/dbraw/zinc/04/97/48/1232049748.db2.gz ITAJCGSTYKOAPN-ICSRJNTNSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCC)[C@H]3C2)CC1 ZINC001042368220 1232050151 /nfs/dbraw/zinc/05/01/51/1232050151.db2.gz OVKZJCWIJQICNN-MJGOQNOKSA-N 2 0 331.504 2.055 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001045078202 1233489170 /nfs/dbraw/zinc/48/91/70/1233489170.db2.gz DZNIJOCEVLYVQQ-YOEHRIQHSA-N 2 0 348.516 2.287 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001045089946 1233495887 /nfs/dbraw/zinc/49/58/87/1233495887.db2.gz RQRAIGQYCIEWEB-ZWKOTPCHSA-N 2 0 346.450 2.118 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047241156 1235727013 /nfs/dbraw/zinc/72/70/13/1235727013.db2.gz LTINOMUCZDCTPC-YZGWKJHDSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047243388 1235732485 /nfs/dbraw/zinc/73/24/85/1235732485.db2.gz KKBKZWSWRPUGST-GOSISDBHSA-N 2 0 331.504 2.055 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001000216786 1240070327 /nfs/dbraw/zinc/07/03/27/1240070327.db2.gz DXSIIYXFQAYQJW-WMZOPIPTSA-N 2 0 346.450 2.118 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049472793 1241052562 /nfs/dbraw/zinc/05/25/62/1241052562.db2.gz HCRCRALNZRBRMU-MISYRCLQSA-N 2 0 343.515 2.340 20 30 EEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001258205 1241927767 /nfs/dbraw/zinc/92/77/67/1241927767.db2.gz ZOZJJGCDNLRXAW-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001261066 1241933493 /nfs/dbraw/zinc/93/34/93/1241933493.db2.gz YGPYCQDXCWXOBD-UHFFFAOYSA-N 2 0 325.456 2.133 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC=C(C)C)CC2)CC1 ZINC001001471164 1242334629 /nfs/dbraw/zinc/33/46/29/1242334629.db2.gz FVWOOPMNCVCFLJ-UHFFFAOYSA-N 2 0 329.488 2.046 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845359 1242401101 /nfs/dbraw/zinc/40/11/01/1242401101.db2.gz XXGQICYYJVKYPI-WOJBJXKFSA-N 2 0 343.515 2.197 20 30 EEEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461605 1242505064 /nfs/dbraw/zinc/50/50/64/1242505064.db2.gz GPZWPSBBFHKNQP-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919842 1242711852 /nfs/dbraw/zinc/71/18/52/1242711852.db2.gz PSHWVHKOABACKN-WOJBJXKFSA-N 2 0 339.483 2.450 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C[C@@H](F)CC)C[C@H]32)CC1 ZINC001050208122 1243123281 /nfs/dbraw/zinc/12/32/81/1243123281.db2.gz CAXHYQVKZOLNSF-GBESFXJTSA-N 2 0 349.494 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)CC2)CC1 ZINC001052953731 1245544577 /nfs/dbraw/zinc/54/45/77/1245544577.db2.gz GYEMCFGGASEOEO-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310603 1245642848 /nfs/dbraw/zinc/64/28/48/1245642848.db2.gz OJZXXSSLKHGKJS-MJGOQNOKSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029535 1245712365 /nfs/dbraw/zinc/71/23/65/1245712365.db2.gz SRCXQDANJBIREA-QZTJIDSGSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053042204 1245750477 /nfs/dbraw/zinc/75/04/77/1245750477.db2.gz ADYXBCDPGYSQIM-UXHICEINSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108021 1245928391 /nfs/dbraw/zinc/92/83/91/1245928391.db2.gz ONGSTWWIVMUKEX-RBUKOAKNSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042331 1247204774 /nfs/dbraw/zinc/20/47/74/1247204774.db2.gz VYBZECSEXFZRRH-LSTHTHJFSA-N 2 0 341.499 2.446 20 30 EEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001071243834 1254088275 /nfs/dbraw/zinc/08/82/75/1254088275.db2.gz MAHWBBBCAJONJP-AZUAARDMSA-N 2 0 349.519 2.130 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099275231 1258053488 /nfs/dbraw/zinc/05/34/88/1258053488.db2.gz VTMOSRCNSLKZDY-KFWWJZLASA-N 2 0 347.425 2.272 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CCC)C1 ZINC001099552898 1258201999 /nfs/dbraw/zinc/20/19/99/1258201999.db2.gz QBZJNOUJPCANSU-VJANTYMQSA-N 2 0 333.520 2.463 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100756679 1259220207 /nfs/dbraw/zinc/22/02/07/1259220207.db2.gz IEGWWVSDSYZKMV-UHFFFAOYSA-N 2 0 345.487 2.049 20 30 EEEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766081 1259234647 /nfs/dbraw/zinc/23/46/47/1259234647.db2.gz OVESHXFKWFBGGP-ABHNRTSZSA-N 2 0 339.524 2.040 20 30 EEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200886892 1287217005 /nfs/dbraw/zinc/21/70/05/1287217005.db2.gz FMBWACOOISGDBX-MSOLQXFVSA-N 2 0 349.519 2.177 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232933 1279312499 /nfs/dbraw/zinc/31/24/99/1279312499.db2.gz YKXPECKTHJRDAP-IRXDYDNUSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC001201238945 1289373195 /nfs/dbraw/zinc/37/31/95/1289373195.db2.gz DUQXAJOHLDYKDU-OALUTQOASA-N 2 0 349.519 2.177 20 30 EEEDRP C#CCOCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000851899554 1291909179 /nfs/dbraw/zinc/90/91/79/1291909179.db2.gz ZPEXFIYVXLVJPW-INIZCTEOSA-N 2 0 333.451 2.268 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001211233788 1295772644 /nfs/dbraw/zinc/77/26/44/1295772644.db2.gz OXRSJQRFDUYCNU-HKUYNNGSSA-N 2 0 331.504 2.267 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)C1 ZINC001219757524 1298136690 /nfs/dbraw/zinc/13/66/90/1298136690.db2.gz PCUVBSQZHVJCQT-QUCCMNQESA-N 2 0 339.483 2.485 20 30 EEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001220868283 1298566664 /nfs/dbraw/zinc/56/66/64/1298566664.db2.gz GABOWZOMBMQLEH-FHWLQOOXSA-N 2 0 327.472 2.289 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099345714 1299064087 /nfs/dbraw/zinc/06/40/87/1299064087.db2.gz PTKGVJWMUYAKMP-HUUCEWRRSA-N 2 0 347.425 2.417 20 30 EEEDRP CC[C@H](C(=O)NCC1CC[NH+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001223597907 1300187304 /nfs/dbraw/zinc/18/73/04/1300187304.db2.gz QVVFXTXHECFNTE-HXUWFJFHSA-N 2 0 341.499 2.207 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271307 1302622030 /nfs/dbraw/zinc/62/20/30/1302622030.db2.gz IPRODKONBPLDAV-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755850 1303300386 /nfs/dbraw/zinc/30/03/86/1303300386.db2.gz QGBBKODXKXJZKK-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206542 1304330392 /nfs/dbraw/zinc/33/03/92/1304330392.db2.gz UANSGLKPZOAKSM-ZIAGYGMSSA-N 2 0 333.398 2.027 20 30 EEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001112379062 1304507319 /nfs/dbraw/zinc/50/73/19/1304507319.db2.gz OYACSZZJKJCLEX-SCTDSRPQSA-N 2 0 339.499 2.461 20 30 EEEDRP N#CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277950010 1305257233 /nfs/dbraw/zinc/25/72/33/1305257233.db2.gz QKEIGPAJGORXRF-SFHVURJKSA-N 2 0 344.503 2.089 20 30 EEEDRP CCCCCCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000799802479 1305438411 /nfs/dbraw/zinc/43/84/11/1305438411.db2.gz QQGCKNXALUBPOF-UHFFFAOYSA-N 2 0 347.569 2.244 20 30 EEEDRP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCCC1 ZINC001115708224 1305644730 /nfs/dbraw/zinc/64/47/30/1305644730.db2.gz UYOQMZGGKHNVOV-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001121509853 1310035663 /nfs/dbraw/zinc/03/56/63/1310035663.db2.gz OZFSHRNWHNWBOI-KRWDZBQOSA-N 2 0 344.507 2.153 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CCCC=C)C3)CC1 ZINC001122243039 1310247373 /nfs/dbraw/zinc/24/73/73/1310247373.db2.gz YAABNMDEGIJFSQ-UHFFFAOYSA-N 2 0 343.515 2.315 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246443353 1310313202 /nfs/dbraw/zinc/31/32/02/1310313202.db2.gz BVELOGJBTGTUHV-CABCVRRESA-N 2 0 332.879 2.195 20 30 EEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2ccc(F)cc2)CCN1 ZINC001246444339 1310313511 /nfs/dbraw/zinc/31/35/11/1310313511.db2.gz KKQMIWZJKCPFCF-QYZOEREBSA-N 2 0 330.451 2.490 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC001143102091 1315863235 /nfs/dbraw/zinc/86/32/35/1315863235.db2.gz XWNQQSQVPCEXOE-UHFFFAOYSA-N 2 0 339.487 2.355 20 30 EEEDRP C=CCC[NH+]1CCC(CCOC)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001151402890 1316522282 /nfs/dbraw/zinc/52/22/82/1316522282.db2.gz NTCLCLAKSQVAAH-UHFFFAOYSA-N 2 0 339.524 2.282 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC001152329982 1316657753 /nfs/dbraw/zinc/65/77/53/1316657753.db2.gz GLTLWWITNWNHCY-SFHVURJKSA-N 2 0 341.499 2.415 20 30 EEEDRP N#Cc1cc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)ccc1F ZINC001153309277 1316808383 /nfs/dbraw/zinc/80/83/83/1316808383.db2.gz JXINIFGHUVKWNB-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP N#Cc1cccc(OCC[NH2+]C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001256685064 1318829859 /nfs/dbraw/zinc/82/98/59/1318829859.db2.gz XOKFIGZIEXRBFU-UHFFFAOYSA-N 2 0 329.444 2.170 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290134 1319146822 /nfs/dbraw/zinc/14/68/22/1319146822.db2.gz YTUFAJPOMPPOSQ-RTBURBONSA-N 2 0 331.504 2.197 20 30 EEEDRP C#C[C@](C)([NH3+])C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001161146938 1320400984 /nfs/dbraw/zinc/40/09/84/1320400984.db2.gz URFQGJRNFIBASF-FQEVSTJZSA-N 2 0 339.483 2.242 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952707 1320692516 /nfs/dbraw/zinc/69/25/16/1320692516.db2.gz JQFDIVZKPGVTNT-LJQANCHMSA-N 2 0 331.504 2.269 20 30 EEEDRP N#Cc1c2c(cnc1-n1cncc1-c1cccc(C[NH3+])c1)C[NH2+]CCC2 ZINC001162562343 1320898727 /nfs/dbraw/zinc/89/87/27/1320898727.db2.gz OWOSKEIOIIDHMU-UHFFFAOYSA-N 2 0 344.422 2.300 20 30 EEEDRP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001162849925 1320973461 /nfs/dbraw/zinc/97/34/61/1320973461.db2.gz OFTQIASIGPQVIO-FQEVSTJZSA-N 2 0 341.499 2.155 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164450181 1321382632 /nfs/dbraw/zinc/38/26/32/1321382632.db2.gz ZXESGCSBZCUEEW-AWEZNQCLSA-N 2 0 346.313 2.113 20 30 EEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001166381073 1321709136 /nfs/dbraw/zinc/70/91/36/1321709136.db2.gz YTVKQKIVXYMDBI-UHFFFAOYSA-N 2 0 341.499 2.304 20 30 EEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203558081 1321912282 /nfs/dbraw/zinc/91/22/82/1321912282.db2.gz VPCLHRURBTYFFP-ROUUACIJSA-N 2 0 331.504 2.147 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)C12CCC2 ZINC001203813292 1321965510 /nfs/dbraw/zinc/96/55/10/1321965510.db2.gz CASIOQZPANLYNX-RTBURBONSA-N 2 0 339.483 2.159 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205410133 1323118094 /nfs/dbraw/zinc/11/80/94/1323118094.db2.gz AJSNEBAMIVHIEY-UHFFFAOYSA-N 2 0 333.501 2.275 20 30 EEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208049876 1324289052 /nfs/dbraw/zinc/28/90/52/1324289052.db2.gz RRVUELFWNIFHJL-ZWKOTPCHSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331275 1324430646 /nfs/dbraw/zinc/43/06/46/1324430646.db2.gz PBNKEYJGQLUTLO-ZWKOTPCHSA-N 2 0 337.508 2.033 20 30 EEEDRP C#CCCN1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC001335988980 1336460856 /nfs/dbraw/zinc/46/08/56/1336460856.db2.gz YAETWQNXHOUKDB-LJQANCHMSA-N 2 0 330.472 2.120 20 30 EEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001353580725 1338291875 /nfs/dbraw/zinc/29/18/75/1338291875.db2.gz CSRLJYMLJALOBH-GOSISDBHSA-N 2 0 330.476 2.451 20 30 EEEDRP C#CCN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CC[NH+](C)CC1 ZINC001574590601 1343686417 /nfs/dbraw/zinc/68/64/17/1343686417.db2.gz GJSSDRZATNHPLL-SFHVURJKSA-N 2 0 339.483 2.235 20 30 EEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC001578416822 1344276217 /nfs/dbraw/zinc/27/62/17/1344276217.db2.gz FXDYVZNDUBAQCX-GOSISDBHSA-N 2 0 342.487 2.228 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001122005648 1371939992 /nfs/dbraw/zinc/93/99/92/1371939992.db2.gz QPKPRAZJKOWQSK-MSOLQXFVSA-N 2 0 339.524 2.245 20 30 EEEDRP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC001368036519 1374324719 /nfs/dbraw/zinc/32/47/19/1374324719.db2.gz MKIOGMPCLLUCEA-QGZVFWFLSA-N 2 0 346.450 2.022 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001375568073 1377854937 /nfs/dbraw/zinc/85/49/37/1377854937.db2.gz PBGZAVYIWRUEDY-OAGGEKHMSA-N 2 0 327.900 2.488 20 30 EEEDRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC001377488228 1379287729 /nfs/dbraw/zinc/28/77/29/1379287729.db2.gz YEHOKEGVDCOSEB-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001377496224 1379298477 /nfs/dbraw/zinc/29/84/77/1379298477.db2.gz JZIGAUIOICCHFH-QGZVFWFLSA-N 2 0 342.487 2.228 20 30 EEEDRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccccc1C#N ZINC001378577767 1380078527 /nfs/dbraw/zinc/07/85/27/1380078527.db2.gz TXVCUPMAELDHGR-MRXNPFEDSA-N 2 0 340.471 2.029 20 30 EEEDRP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C#N)CCC1)[NH+](C)C ZINC001380881372 1381418783 /nfs/dbraw/zinc/41/87/83/1381418783.db2.gz UCYBMTAVSUQCFM-KRWDZBQOSA-N 2 0 328.460 2.027 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC001382518163 1382112549 /nfs/dbraw/zinc/11/25/49/1382112549.db2.gz HSCKETPTVJKGFH-HZPDHXFCSA-N 2 0 348.516 2.334 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001391335088 1389272863 /nfs/dbraw/zinc/27/28/63/1389272863.db2.gz GMEXXGKOPQGEBL-KRWDZBQOSA-N 2 0 342.487 2.228 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001752832704 1406459246 /nfs/dbraw/zinc/45/92/46/1406459246.db2.gz CDUOKQQLNCHMRN-HXUWFJFHSA-N 2 0 341.499 2.349 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001753074358 1406666978 /nfs/dbraw/zinc/66/69/78/1406666978.db2.gz ISHJTASQOOVHTR-INIZCTEOSA-N 2 0 345.462 2.280 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001423650228 1400721247 /nfs/dbraw/zinc/72/12/47/1400721247.db2.gz ZDDKEIKLKCYZHJ-GOSISDBHSA-N 2 0 348.516 2.290 20 30 EEEDRP C[C@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001755655571 1407707506 /nfs/dbraw/zinc/70/75/06/1407707506.db2.gz XSJVXYCHKUZQLR-FXAWDEMLSA-N 2 0 339.483 2.101 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCC)[C@H]3C2)CC1 ZINC001755713000 1407766725 /nfs/dbraw/zinc/76/67/25/1407766725.db2.gz SPSXNVDKGSQXBI-UFYCRDLUSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755721505 1407781520 /nfs/dbraw/zinc/78/15/20/1407781520.db2.gz BOGCSZSAFOEIEX-MSOLQXFVSA-N 2 0 337.508 2.034 20 30 EEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115537004 1411034860 /nfs/dbraw/zinc/03/48/60/1411034860.db2.gz RNQWCHZHLSQCCD-ROUUACIJSA-N 2 0 331.504 2.293 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)s1 ZINC001168030030 782398714 /nfs/dbraw/zinc/39/87/14/782398714.db2.gz LVGWMDZXBKGKMM-PBHICJAKSA-N 2 0 346.500 2.233 20 30 EEEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001167242544 757559907 /nfs/dbraw/zinc/55/99/07/757559907.db2.gz CLAWLZPVZBRZOK-UHFFFAOYSA-N 2 0 329.488 2.223 20 30 EEEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115581910 758040810 /nfs/dbraw/zinc/04/08/10/758040810.db2.gz BNMBTRYJSJZXIX-KRWDZBQOSA-N 2 0 339.524 2.184 20 30 EEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104290507 758124212 /nfs/dbraw/zinc/12/42/12/758124212.db2.gz AWYQFHXJBQGGEO-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001210789400 758131333 /nfs/dbraw/zinc/13/13/33/758131333.db2.gz OXWUOLYPFRAWNY-SFHVURJKSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461420 760930016 /nfs/dbraw/zinc/93/00/16/760930016.db2.gz GRQOEDVCSRVCMM-HKUYNNGSSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530101 782631782 /nfs/dbraw/zinc/63/17/82/782631782.db2.gz PESQVZNZHMTDJU-LPHOPBHVSA-N 2 0 329.488 2.417 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070937 768841471 /nfs/dbraw/zinc/84/14/71/768841471.db2.gz LGAGNFRJWOKTRP-MGPQQGTHSA-N 2 0 333.398 2.026 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527621 770118724 /nfs/dbraw/zinc/11/87/24/770118724.db2.gz RFGICFCMJAREMJ-SFHVURJKSA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129700 782949614 /nfs/dbraw/zinc/94/96/14/782949614.db2.gz AYDLBIRVSAKNJD-OTWHNJEPSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718887 783049611 /nfs/dbraw/zinc/04/96/11/783049611.db2.gz DKAGGCNSWCFAOD-QFBILLFUSA-N 2 0 329.488 2.417 20 30 EEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089638420 773644123 /nfs/dbraw/zinc/64/41/23/773644123.db2.gz BRZMOPDRNULBPN-MSOLQXFVSA-N 2 0 333.520 2.489 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664519 774083444 /nfs/dbraw/zinc/08/34/44/774083444.db2.gz MAQIPIAUSLMRKS-QGZVFWFLSA-N 2 0 331.504 2.245 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980212172 774103442 /nfs/dbraw/zinc/10/34/42/774103442.db2.gz IGEBEGLMKULNAT-HRCADAONSA-N 2 0 328.460 2.164 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@H]12 ZINC000991786761 790495247 /nfs/dbraw/zinc/49/52/47/790495247.db2.gz SPPMACXBLORUCZ-ICSRJNTNSA-N 2 0 349.438 2.017 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982117038 779127975 /nfs/dbraw/zinc/12/79/75/779127975.db2.gz XWMDWNCMAXIPMN-MSOLQXFVSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](C[C@@H](C)CC)C3)CC1 ZINC000982162587 779182447 /nfs/dbraw/zinc/18/24/47/779182447.db2.gz VQQLLANEUUCIJJ-SFHVURJKSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163749 779182831 /nfs/dbraw/zinc/18/28/31/779182831.db2.gz RUUMUNZVPYFWAS-IBGZPJMESA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306257 779659028 /nfs/dbraw/zinc/65/90/28/779659028.db2.gz OSIWPRPLCFVPRD-JYAXBFRTSA-N 2 0 343.515 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396100 781909249 /nfs/dbraw/zinc/90/92/49/781909249.db2.gz IEGIECOCCJWGRX-IBGZPJMESA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001135308277 783568939 /nfs/dbraw/zinc/56/89/39/783568939.db2.gz QQUOOUSUVKRCOR-HZPDHXFCSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CCC[NH+](C)C ZINC001135315508 783598539 /nfs/dbraw/zinc/59/85/39/783598539.db2.gz PBAHXXHGFZTMCY-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135371723 783660075 /nfs/dbraw/zinc/66/00/75/783660075.db2.gz IHGPQKXRDPVVAZ-KGLIPLIRSA-N 2 0 334.439 2.022 20 30 EEEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001135976826 784926830 /nfs/dbraw/zinc/92/68/30/784926830.db2.gz OEYPMJOFEQCANC-CABCVRRESA-N 2 0 348.466 2.412 20 30 EEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705522 784986490 /nfs/dbraw/zinc/98/64/90/784986490.db2.gz DYWGJIQIRTVVEB-ZWKOTPCHSA-N 2 0 331.504 2.361 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478687 786434360 /nfs/dbraw/zinc/43/43/60/786434360.db2.gz TUQQHGAUVRLXEI-GOEBONIOSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614554 787914104 /nfs/dbraw/zinc/91/41/04/787914104.db2.gz FUBGKGLDSURFPM-NVXWUHKLSA-N 2 0 327.900 2.442 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001030031473 789099545 /nfs/dbraw/zinc/09/95/45/789099545.db2.gz OKCQLSUEGLAMCA-IHPCNDPISA-N 2 0 339.483 2.426 20 30 EEEDRP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(OC)c1 ZINC000923284113 789282333 /nfs/dbraw/zinc/28/23/33/789282333.db2.gz HPRMICYLWSNTLO-MAUKXSAKSA-N 2 0 348.487 2.223 20 30 EEEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001171162402 789578749 /nfs/dbraw/zinc/57/87/49/789578749.db2.gz XQJNCNZULYUVOA-VQIMIIECSA-N 2 0 342.487 2.275 20 30 EEEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221304 790129969 /nfs/dbraw/zinc/12/99/69/790129969.db2.gz KFSKJGZIVWIMPF-MRXNPFEDSA-N 2 0 331.460 2.306 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000998044354 791880587 /nfs/dbraw/zinc/88/05/87/791880587.db2.gz GQFGWHISBYSEJT-ROUUACIJSA-N 2 0 342.487 2.172 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000948040393 791889699 /nfs/dbraw/zinc/88/96/99/791889699.db2.gz PJCWTBHPTBTXSU-GJZGRUSLSA-N 2 0 346.500 2.185 20 30 EEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147830468 791989240 /nfs/dbraw/zinc/98/92/40/791989240.db2.gz UHQPMKOGQUFRDX-UHFFFAOYSA-N 2 0 328.460 2.018 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC000998195700 792200973 /nfs/dbraw/zinc/20/09/73/792200973.db2.gz GUNZHSZQKAYBHI-FQEVSTJZSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(Cl)CN1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156452 792953477 /nfs/dbraw/zinc/95/34/77/792953477.db2.gz WGCWGPJPZUTVSB-RDJZCZTQSA-N 2 0 325.884 2.194 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940924 793030046 /nfs/dbraw/zinc/03/00/46/793030046.db2.gz DQKMUJLOXSDHID-QGZVFWFLSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086953041 793089763 /nfs/dbraw/zinc/08/97/63/793089763.db2.gz XPCNQDZLZFFQKQ-ROUUACIJSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126586 793179368 /nfs/dbraw/zinc/17/93/68/793179368.db2.gz VQHAUKKKQYMPGN-IAGOWNOFSA-N 2 0 339.524 2.136 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106112617 793287331 /nfs/dbraw/zinc/28/73/31/793287331.db2.gz OKWDNLFCZDKSTQ-FVQBIDKESA-N 2 0 327.900 2.296 20 30 EEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302903 793779300 /nfs/dbraw/zinc/77/93/00/793779300.db2.gz FFKRNLATXNKTTC-GGPKGHCWSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(Cl)CN1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992421984 794045721 /nfs/dbraw/zinc/04/57/21/794045721.db2.gz YVSYVYDTMASJES-HLLBOEOZSA-N 2 0 325.884 2.194 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675497 794222994 /nfs/dbraw/zinc/22/29/94/794222994.db2.gz IUHBLPRRDHQYSM-HYVNUMGLSA-N 2 0 341.927 2.401 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079162592 794438271 /nfs/dbraw/zinc/43/82/71/794438271.db2.gz RVQFAVPARDCALL-YTQUADARSA-N 2 0 345.462 2.238 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717269 794609955 /nfs/dbraw/zinc/60/99/55/794609955.db2.gz SSASLDPRPZICEF-ROUUACIJSA-N 2 0 331.504 2.197 20 30 EEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736319 794692283 /nfs/dbraw/zinc/69/22/83/794692283.db2.gz YHTGRCBHBBKLOJ-CABCVRRESA-N 2 0 325.884 2.146 20 30 EEEDRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999682143 794775984 /nfs/dbraw/zinc/77/59/84/794775984.db2.gz LOSHKVATHJFATD-WLYUNCDWSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371823 795103801 /nfs/dbraw/zinc/10/38/01/795103801.db2.gz VNAGUDYEDKHFOM-MOPGFXCFSA-N 2 0 343.515 2.053 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+]1CCCCC1 ZINC001127317866 795362240 /nfs/dbraw/zinc/36/22/40/795362240.db2.gz XWVBBLZGQFKETE-UHFFFAOYSA-N 2 0 346.450 2.168 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672053 796084314 /nfs/dbraw/zinc/08/43/14/796084314.db2.gz BUPJLOZZBKFPPF-IEBWSBKVSA-N 2 0 329.488 2.031 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498327 796291543 /nfs/dbraw/zinc/29/15/43/796291543.db2.gz GFMXEHQIUXORAN-YLJYHZDGSA-N 2 0 343.471 2.339 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(=C)Cl)C2)CC1 ZINC001036902138 796439884 /nfs/dbraw/zinc/43/98/84/796439884.db2.gz FTHUVCZDLFBQHE-ZWKOTPCHSA-N 2 0 349.906 2.007 20 30 EEEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001171579243 796647058 /nfs/dbraw/zinc/64/70/58/796647058.db2.gz RJSVDBXMTARKCK-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC2(CCOCC2)C1 ZINC001089969652 796691455 /nfs/dbraw/zinc/69/14/55/796691455.db2.gz MBMMGFLKHGJULA-QZTJIDSGSA-N 2 0 349.519 2.034 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001171725025 796705009 /nfs/dbraw/zinc/70/50/09/796705009.db2.gz DQHZRETXVGGPKR-UHFFFAOYSA-N 2 0 334.439 2.025 20 30 EEEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812202 796758179 /nfs/dbraw/zinc/75/81/79/796758179.db2.gz LWRZGKXHUIELJB-INIZCTEOSA-N 2 0 344.459 2.415 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993631212 796885564 /nfs/dbraw/zinc/88/55/64/796885564.db2.gz MFBIDFAOVSUASQ-PXNSSMCTSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799551 796912860 /nfs/dbraw/zinc/91/28/60/796912860.db2.gz UVTOZYDACISWHF-CEXWTWQISA-N 2 0 349.519 2.175 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094938017 797058835 /nfs/dbraw/zinc/05/88/35/797058835.db2.gz SBCDMOBJOFONDR-LZWOXQAQSA-N 2 0 325.884 2.192 20 30 EEEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173423323 797443089 /nfs/dbraw/zinc/44/30/89/797443089.db2.gz JDZOAVNMOIQNBQ-SFHVURJKSA-N 2 0 340.471 2.237 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099306437 797880889 /nfs/dbraw/zinc/88/08/89/797880889.db2.gz CRMQIXWDZHSAAW-BFHYXJOUSA-N 2 0 333.398 2.026 20 30 EEEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543153 798004456 /nfs/dbraw/zinc/00/44/56/798004456.db2.gz HNGGYLSEWAQOQL-UYAOXDASSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048716 798447938 /nfs/dbraw/zinc/44/79/38/798447938.db2.gz BWBLKNCBTWCDAG-HKUYNNGSSA-N 2 0 349.519 2.177 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001176926452 798631240 /nfs/dbraw/zinc/63/12/40/798631240.db2.gz NBLAEJPJQBSOLH-UHFFFAOYSA-N 2 0 345.462 2.075 20 30 EEEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176931309 798634567 /nfs/dbraw/zinc/63/45/67/798634567.db2.gz ZZBIERWMENHZDK-UHFFFAOYSA-N 2 0 328.460 2.030 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101245 798675288 /nfs/dbraw/zinc/67/52/88/798675288.db2.gz YSXYKKUOADCFTL-CEXWTWQISA-N 2 0 331.504 2.053 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001177472971 798958379 /nfs/dbraw/zinc/95/83/79/798958379.db2.gz KQLFEPRVWZUQLA-FQEVSTJZSA-N 2 0 331.504 2.104 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001177489230 798979710 /nfs/dbraw/zinc/97/97/10/798979710.db2.gz VXUSZUOFGXDKCX-UHFFFAOYSA-N 2 0 333.520 2.494 20 30 EEEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212486992 798991526 /nfs/dbraw/zinc/99/15/26/798991526.db2.gz NCNYEDAEPGCATB-IAGOWNOFSA-N 2 0 339.524 2.279 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)c(F)c1 ZINC001151361495 801762908 /nfs/dbraw/zinc/76/29/08/801762908.db2.gz IXMADSKBANYIJR-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC(CC)CC)CC1 ZINC001085986842 801840392 /nfs/dbraw/zinc/84/03/92/801840392.db2.gz OCGGPFJFABZEIB-LJQANCHMSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004455766 802114333 /nfs/dbraw/zinc/11/43/33/802114333.db2.gz ASTIIHBIMIACIX-GOSISDBHSA-N 2 0 331.504 2.197 20 30 EEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001184693051 802130028 /nfs/dbraw/zinc/13/00/28/802130028.db2.gz NLJVYAGBHIXHRX-SJORKVTESA-N 2 0 330.476 2.168 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184702470 802138560 /nfs/dbraw/zinc/13/85/60/802138560.db2.gz YSOFBRXVHRPNDN-WBVHZDCISA-N 2 0 338.455 2.354 20 30 EEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001185293550 802447416 /nfs/dbraw/zinc/44/74/16/802447416.db2.gz HKPXUCIMQQNZLK-YLJYHZDGSA-N 2 0 341.499 2.459 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608350 802475955 /nfs/dbraw/zinc/47/59/55/802475955.db2.gz YTDFLITZNKXUFE-GOSISDBHSA-N 2 0 331.504 2.361 20 30 EEEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169807964 804083413 /nfs/dbraw/zinc/08/34/13/804083413.db2.gz AHDBIEKABCWBIR-QFBILLFUSA-N 2 0 342.487 2.417 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809513 804085430 /nfs/dbraw/zinc/08/54/30/804085430.db2.gz IESOJBIYLLPPSW-UYAOXDASSA-N 2 0 341.499 2.397 20 30 EEEDRP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109418111 805432636 /nfs/dbraw/zinc/43/26/36/805432636.db2.gz XTRJLCMQXYRMKV-WCVJEAGWSA-N 2 0 325.884 2.335 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001130425369 811620451 /nfs/dbraw/zinc/62/04/51/811620451.db2.gz WEBKNPXAEAKEFO-UHFFFAOYSA-N 2 0 335.879 2.128 20 30 EEEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130711235 811960731 /nfs/dbraw/zinc/96/07/31/811960731.db2.gz RKPVOUZKYRJENM-GOSISDBHSA-N 2 0 346.450 2.024 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001131701515 813132909 /nfs/dbraw/zinc/13/29/09/813132909.db2.gz WKMSKBUGPRIXIZ-QUCCMNQESA-N 2 0 349.519 2.130 20 30 EEEDRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC001437407267 1089686686 /nfs/dbraw/zinc/68/66/86/1089686686.db2.gz BKFHJOAXULUBFK-MRXNPFEDSA-N 2 0 342.487 2.275 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001441625743 1095504502 /nfs/dbraw/zinc/50/45/02/1095504502.db2.gz YLOLMYWCBWCZTC-HNNXBMFYSA-N 2 0 348.516 2.290 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001444192635 1098744469 /nfs/dbraw/zinc/74/44/69/1098744469.db2.gz ZHVREFYOSHRKTD-WGSAOQKQSA-N 2 0 342.487 2.417 20 30 EEEDRP C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001523991361 1119948018 /nfs/dbraw/zinc/94/80/18/1119948018.db2.gz KVERJAITZIVCAR-KRWDZBQOSA-N 2 0 344.507 2.295 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1C ZINC000338121111 279329433 /nfs/dbraw/zinc/32/94/33/279329433.db2.gz PLGIMDFNIGHDMG-SFHVURJKSA-N 2 0 342.487 2.355 20 30 EEEDRP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000086740990 462580814 /nfs/dbraw/zinc/58/08/14/462580814.db2.gz GXGIOQWYDQFNPN-APWZRJJASA-N 2 0 348.491 2.013 20 30 EEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000119592662 462913837 /nfs/dbraw/zinc/91/38/37/462913837.db2.gz QLHFXFZCSMOWNN-IBGZPJMESA-N 2 0 329.488 2.463 20 30 EEEDRP C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000134113746 463004894 /nfs/dbraw/zinc/00/48/94/463004894.db2.gz HECANZFRWPTOQX-OAHLLOKOSA-N 2 0 336.443 2.297 20 30 EEEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000095948319 463112445 /nfs/dbraw/zinc/11/24/45/463112445.db2.gz KYVDRPDOJVXFKS-HZPDHXFCSA-N 2 0 332.492 2.452 20 30 EEEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)NC1CC[NH+](C(C)C)CC1 ZINC000262196034 463970248 /nfs/dbraw/zinc/97/02/48/463970248.db2.gz HIMJMLWNQMSMTK-UHFFFAOYSA-N 2 0 342.491 2.181 20 30 EEEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000262376444 464014509 /nfs/dbraw/zinc/01/45/09/464014509.db2.gz JPRGMHCICIQEAM-VQIMIIECSA-N 2 0 326.488 2.409 20 30 EEEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000264066128 464278486 /nfs/dbraw/zinc/27/84/86/464278486.db2.gz FACHXNASGMUOGA-LJQANCHMSA-N 2 0 343.519 2.174 20 30 EEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[NH+]2CC)c1 ZINC000264077360 464279842 /nfs/dbraw/zinc/27/98/42/464279842.db2.gz GGHTYYDEUTVJFH-SFHVURJKSA-N 3 0 331.508 2.027 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)cc1OC ZINC000273496117 464717860 /nfs/dbraw/zinc/71/78/60/464717860.db2.gz QLLQUFWRFZCZIF-UHFFFAOYSA-N 2 0 348.491 2.230 20 30 EEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282216042 464739316 /nfs/dbraw/zinc/73/93/16/464739316.db2.gz HQSDUABHQAZQJW-QGZVFWFLSA-N 2 0 329.488 2.375 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000267435055 464931626 /nfs/dbraw/zinc/93/16/26/464931626.db2.gz NQLVPKUOOLZSRM-AWEZNQCLSA-N 2 0 335.471 2.170 20 30 EEEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000343576320 465530308 /nfs/dbraw/zinc/53/03/08/465530308.db2.gz GSYYCSVDZZTFJF-APWZRJJASA-N 2 0 336.524 2.483 20 30 EEEDRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000330893373 465849881 /nfs/dbraw/zinc/84/98/81/465849881.db2.gz QUDQEUVTTDDZJP-CHWSQXEVSA-N 2 0 347.463 2.201 20 30 EEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C#N)c(F)c2)CC1 ZINC000591502196 468477908 /nfs/dbraw/zinc/47/79/08/468477908.db2.gz KQQIVXGESDHFSM-UHFFFAOYSA-N 2 0 325.391 2.456 20 30 EEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000591570808 468485197 /nfs/dbraw/zinc/48/51/97/468485197.db2.gz QYCOEZJXCQEDDR-CEXWTWQISA-N 2 0 339.487 2.432 20 30 EEEDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000423377098 466732534 /nfs/dbraw/zinc/73/25/34/466732534.db2.gz DYZCFMNROVROCY-NHYWBVRUSA-N 2 0 344.356 2.184 20 30 EEEDRP C[C@@H](CCC#N)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000411400554 466819542 /nfs/dbraw/zinc/81/95/42/466819542.db2.gz UTGKKKOIZUULSI-KRWDZBQOSA-N 2 0 334.508 2.383 20 30 EEEDRP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000424130726 466985646 /nfs/dbraw/zinc/98/56/46/466985646.db2.gz HQVZMOXKMOXXCJ-RTBURBONSA-N 2 0 342.487 2.207 20 30 EEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000578618892 468228244 /nfs/dbraw/zinc/22/82/44/468228244.db2.gz YYCNBORDLVHTBW-LJQANCHMSA-N 2 0 345.487 2.202 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000490739463 468244842 /nfs/dbraw/zinc/24/48/42/468244842.db2.gz DRMYDXLZJUUQPD-SFHVURJKSA-N 2 0 347.890 2.404 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000106339326 526590205 /nfs/dbraw/zinc/59/02/05/526590205.db2.gz XEMJVIFKQCPJLX-SFHVURJKSA-N 2 0 336.524 2.447 20 30 EEEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(OCC#N)cc1 ZINC000776153798 577453362 /nfs/dbraw/zinc/45/33/62/577453362.db2.gz INYFDLFGOJIUOH-KRWDZBQOSA-N 2 0 330.476 2.267 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970448534 675901999 /nfs/dbraw/zinc/90/19/99/675901999.db2.gz WHSKPHDDRVOVRD-MRXNPFEDSA-N 2 0 325.884 2.051 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000969869263 675270841 /nfs/dbraw/zinc/27/08/41/675270841.db2.gz OGTMSYFVBVSVID-PXNSSMCTSA-N 2 0 339.483 2.029 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039139219 675643308 /nfs/dbraw/zinc/64/33/08/675643308.db2.gz FRMGWRRJFDPRTG-RTBURBONSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(CC)CC)C2)CC1 ZINC000970919356 676241391 /nfs/dbraw/zinc/24/13/91/676241391.db2.gz BXVKVIHPMSFAAI-INIZCTEOSA-N 2 0 333.520 2.204 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508018 679346710 /nfs/dbraw/zinc/34/67/10/679346710.db2.gz GIGPIYQHIHDXME-QGZVFWFLSA-N 2 0 329.488 2.419 20 30 EEEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC001024366996 679883892 /nfs/dbraw/zinc/88/38/92/679883892.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 0 339.483 2.103 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921830 685308030 /nfs/dbraw/zinc/30/80/30/685308030.db2.gz YAAKKASVQBXZOP-YOEHRIQHSA-N 2 0 346.500 2.042 20 30 EEEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001026921829 685308110 /nfs/dbraw/zinc/30/81/10/685308110.db2.gz YAAKKASVQBXZOP-WMLDXEAASA-N 2 0 346.500 2.042 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028591491 681232644 /nfs/dbraw/zinc/23/26/44/681232644.db2.gz HXNZOZSSRIMHSP-MJGOQNOKSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025630734 683168804 /nfs/dbraw/zinc/16/88/04/683168804.db2.gz VKHULFCFKQSWDM-YLJYHZDGSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974864131 685639264 /nfs/dbraw/zinc/63/92/64/685639264.db2.gz PPXBPEZFDKUFMS-GOSISDBHSA-N 2 0 329.488 2.417 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000162288632 683244972 /nfs/dbraw/zinc/24/49/72/683244972.db2.gz WOTRNTYEEBDHJF-KSZLIROESA-N 2 0 346.519 2.126 20 30 EEEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC000992746399 683361342 /nfs/dbraw/zinc/36/13/42/683361342.db2.gz WPMCTGQOFSOTCD-NZSAHSFTSA-N 2 0 345.531 2.489 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000992815370 683516507 /nfs/dbraw/zinc/51/65/07/683516507.db2.gz MGFGZYPTOPXXMZ-GVDBMIGSSA-N 2 0 339.911 2.297 20 30 EEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001026377174 684490795 /nfs/dbraw/zinc/49/07/95/684490795.db2.gz MLCRPKMNWAHKHZ-GBESFXJTSA-N 2 0 327.472 2.374 20 30 EEEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001026429220 684633962 /nfs/dbraw/zinc/63/39/62/684633962.db2.gz UBXNQKOIBZMGPC-RYQLBKOJSA-N 2 0 343.471 2.195 20 30 EEEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347343 693970810 /nfs/dbraw/zinc/97/08/10/693970810.db2.gz JJTHITRBPLVBIG-UYAOXDASSA-N 2 0 331.504 2.056 20 30 EEEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262483481 686322304 /nfs/dbraw/zinc/32/23/04/686322304.db2.gz WCZXXOAVODJMCQ-GVDBMIGSSA-N 2 0 336.524 2.228 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978912906 694018867 /nfs/dbraw/zinc/01/88/67/694018867.db2.gz XXFWBWHPMSGQAW-LDLYASANSA-N 2 0 333.520 2.367 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC001027234377 686870733 /nfs/dbraw/zinc/87/07/33/686870733.db2.gz VHXBQPCWOALLIX-MRXNPFEDSA-N 2 0 345.512 2.031 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991016222 694192293 /nfs/dbraw/zinc/19/22/93/694192293.db2.gz FPNSURIIAWVYGE-CMKODMSKSA-N 2 0 331.504 2.101 20 30 EEEDRP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001268069257 1181666904 /nfs/dbraw/zinc/66/69/04/1181666904.db2.gz RGJDFDDYABTGCI-MJGOQNOKSA-N 2 0 329.488 2.061 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)C[C@@H]2C)CC1 ZINC000945177597 1193413605 /nfs/dbraw/zinc/41/36/05/1193413605.db2.gz BKFOCKMKKHRLNE-PKOBYXMFSA-N 2 0 331.504 2.124 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991064327 1189766703 /nfs/dbraw/zinc/76/67/03/1189766703.db2.gz CWHRBDQDJTYSEF-NLWGTHIKSA-N 2 0 331.504 2.386 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H]1C ZINC001483916159 1191115396 /nfs/dbraw/zinc/11/53/96/1191115396.db2.gz MCIBQPHQGQXJPP-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C[NH+]1CCC(CC[NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273039096 1194344069 /nfs/dbraw/zinc/34/40/69/1194344069.db2.gz NGDWYYKKACMHQA-SFHVURJKSA-N 2 0 346.519 2.240 20 30 EEEDRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001273039769 1194344344 /nfs/dbraw/zinc/34/43/44/1194344344.db2.gz VBBOMZFNKOJILN-FQEVSTJZSA-N 2 0 346.519 2.479 20 30 EEEDRP C#CCN1CC2(CCC1=O)CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273128154 1194411432 /nfs/dbraw/zinc/41/14/32/1194411432.db2.gz PDVKOHHQHWFTOH-UHFFFAOYSA-N 2 0 345.531 2.446 20 30 EEEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001128779319 1195484848 /nfs/dbraw/zinc/48/48/48/1195484848.db2.gz SDVDMXJMBNJLLL-SFHVURJKSA-N 2 0 347.890 2.272 20 30 EEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034018483 1195640756 /nfs/dbraw/zinc/64/07/56/1195640756.db2.gz YZKAIECALJPAGL-LJQANCHMSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478569 1196268727 /nfs/dbraw/zinc/26/87/27/1196268727.db2.gz LUZBDPWSQATAEB-IBGZPJMESA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001034660191 1196485737 /nfs/dbraw/zinc/48/57/37/1196485737.db2.gz WHTTUABVVPABJD-LNLFQRSKSA-N 2 0 349.519 2.223 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001134585044 1199674430 /nfs/dbraw/zinc/67/44/30/1199674430.db2.gz YPXPOFNMNALDOI-CVEARBPZSA-N 2 0 342.487 2.415 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)cc2)C1 ZINC001132411393 1199681360 /nfs/dbraw/zinc/68/13/60/1199681360.db2.gz ZDARCUQIMXBZTA-LPHOPBHVSA-N 2 0 342.487 2.369 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133082396 1200413131 /nfs/dbraw/zinc/41/31/31/1200413131.db2.gz GAWACNLBRFWOCG-CZUORRHYSA-N 2 0 327.900 2.155 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133332863 1200754813 /nfs/dbraw/zinc/75/48/13/1200754813.db2.gz ACUCCGSMWJTCEV-RBUKOAKNSA-N 2 0 333.520 2.350 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](C(C)C)CC1 ZINC000130870975 1202004391 /nfs/dbraw/zinc/00/43/91/1202004391.db2.gz JGVPSYYLLFIEHB-KSZLIROESA-N 2 0 348.535 2.372 20 30 EEEDRP C[NH+](C)CCN1CCC2(C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001275950469 1205600507 /nfs/dbraw/zinc/60/05/07/1205600507.db2.gz XGKMAOACSNFTJZ-UHFFFAOYSA-N 2 0 337.471 2.109 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435455 1209136865 /nfs/dbraw/zinc/13/68/65/1209136865.db2.gz LTMQFSYCBWGKNI-RBUKOAKNSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001006439133 1209470023 /nfs/dbraw/zinc/47/00/23/1209470023.db2.gz ODHJTZXKAHQDIW-UHFFFAOYSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1CC)CCO2 ZINC000949250908 1209594432 /nfs/dbraw/zinc/59/44/32/1209594432.db2.gz CXWUMVGBTANSNV-GOSISDBHSA-N 2 0 349.519 2.130 20 30 EEEDRP CC#CC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006441904 1209649169 /nfs/dbraw/zinc/64/91/69/1209649169.db2.gz GMIGNXCRSAXNGQ-UHFFFAOYSA-N 2 0 327.472 2.308 20 30 EEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603033 1215248405 /nfs/dbraw/zinc/24/84/05/1215248405.db2.gz LUVLUULLVWGJRP-MSOLQXFVSA-N 2 0 333.520 2.465 20 30 EEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001114835988 1215697339 /nfs/dbraw/zinc/69/73/39/1215697339.db2.gz VPLRYARYXYHFNE-MKSNKDDYSA-N 2 0 337.483 2.212 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253577 1217112119 /nfs/dbraw/zinc/11/21/19/1217112119.db2.gz QOIZPPZRDPDDFO-WOJBJXKFSA-N 2 0 345.531 2.302 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961293308 1217132193 /nfs/dbraw/zinc/13/21/93/1217132193.db2.gz NVVGZEOERYYBQG-VQTJNVASSA-N 2 0 345.531 2.446 20 30 EEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000963912296 1218121697 /nfs/dbraw/zinc/12/16/97/1218121697.db2.gz IOYITJJJOUQTSN-JEYLPNPQSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)CC[C@H]2C)CC1 ZINC000968680615 1221486945 /nfs/dbraw/zinc/48/69/45/1221486945.db2.gz BWYSTPNSLSSOQI-IEBWSBKVSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818033 1226901556 /nfs/dbraw/zinc/90/15/56/1226901556.db2.gz ABZFMKRILBBXME-BEFAXECRSA-N 2 0 337.483 2.356 20 30 EEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001016822922 1226905486 /nfs/dbraw/zinc/90/54/86/1226905486.db2.gz IVEBILJBMIEZOL-HOCLYGCPSA-N 2 0 328.460 2.376 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020146126 1229510159 /nfs/dbraw/zinc/51/01/59/1229510159.db2.gz WEFFKPWKXFHYDS-GUDVDZBRSA-N 2 0 340.471 2.168 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCC2)CC1 ZINC001039041250 1230257750 /nfs/dbraw/zinc/25/77/50/1230257750.db2.gz AWOXGLKSHMCETD-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204827 1230431418 /nfs/dbraw/zinc/43/14/18/1230431418.db2.gz FFQRVCNUASIYMC-PMACEKPBSA-N 2 0 345.531 2.445 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039228607 1230460903 /nfs/dbraw/zinc/46/09/03/1230460903.db2.gz GLUTZWYYNUEIDS-MOPGFXCFSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255611 1230491114 /nfs/dbraw/zinc/49/11/14/1230491114.db2.gz DFEOSGSETXJVBF-VQTJNVASSA-N 2 0 345.531 2.443 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452156 1230619514 /nfs/dbraw/zinc/61/95/14/1230619514.db2.gz JMZVWSVMUIAELG-UXHICEINSA-N 2 0 339.483 2.450 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240491 1231125369 /nfs/dbraw/zinc/12/53/69/1231125369.db2.gz HDFOIFISPBPODR-CTNGQTDRSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040847849 1231386956 /nfs/dbraw/zinc/38/69/56/1231386956.db2.gz AHFROMXIJYRITP-QZTJIDSGSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CC(=C)C)CC3)CC1 ZINC001040947985 1231408389 /nfs/dbraw/zinc/40/83/89/1231408389.db2.gz LOWQEEFZSRUMIQ-UHFFFAOYSA-N 2 0 343.515 2.222 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001041356631 1231518166 /nfs/dbraw/zinc/51/81/66/1231518166.db2.gz AEGRTLYGWWOWBG-QFBILLFUSA-N 2 0 328.460 2.261 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041695279 1231651148 /nfs/dbraw/zinc/65/11/48/1231651148.db2.gz AHMAMIJCSDGYHT-MDZRGWNJSA-N 2 0 328.460 2.024 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCCC)C3)C2)CC1 ZINC001041844546 1231728121 /nfs/dbraw/zinc/72/81/21/1231728121.db2.gz KLGKXMIKQHUEIK-HXUWFJFHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949569 1234214579 /nfs/dbraw/zinc/21/45/79/1234214579.db2.gz JVRDEOCNEUIBME-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@]3(CC[N@@H+](CC)C3)C2)CC1 ZINC001045986151 1234281767 /nfs/dbraw/zinc/28/17/67/1234281767.db2.gz IMTSTHFSOVLNEH-FQEVSTJZSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001046849808 1235247462 /nfs/dbraw/zinc/24/74/62/1235247462.db2.gz JJAADAALBRITQJ-OAQYLSRUSA-N 2 0 343.515 2.413 20 30 EEEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046942521 1235336335 /nfs/dbraw/zinc/33/63/35/1235336335.db2.gz KEGUUOZEQGCARD-CVEARBPZSA-N 2 0 343.462 2.224 20 30 EEEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001047255816 1235758816 /nfs/dbraw/zinc/75/88/16/1235758816.db2.gz DONYQDCQAQYGOM-UYAOXDASSA-N 2 0 345.531 2.445 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048914086 1239239705 /nfs/dbraw/zinc/23/97/05/1239239705.db2.gz NYJPZTWTMRBEIJ-CEXWTWQISA-N 2 0 333.520 2.463 20 30 EEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC001001013237 1241447428 /nfs/dbraw/zinc/44/74/28/1241447428.db2.gz YIKLWBQLUSDQEV-UHFFFAOYSA-N 2 0 334.423 2.258 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCC(C)C)CC2)CC1 ZINC001001471934 1242338051 /nfs/dbraw/zinc/33/80/51/1242338051.db2.gz NUMBIPWZLQSNEF-UHFFFAOYSA-N 2 0 331.504 2.126 20 30 EEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001001478169 1242348098 /nfs/dbraw/zinc/34/80/98/1242348098.db2.gz YBDVXJAIQCSFBV-LJQANCHMSA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062515 1242755174 /nfs/dbraw/zinc/75/51/74/1242755174.db2.gz VRJQHSFXHYHZBE-IPMKNSEASA-N 2 0 333.520 2.463 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)CC)CC1 ZINC001096605528 1242778062 /nfs/dbraw/zinc/77/80/62/1242778062.db2.gz SEGNIMTWDSDPGI-NQYYFHDYSA-N 2 0 331.504 2.099 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CC(C)C2)CC1 ZINC001096605345 1242779682 /nfs/dbraw/zinc/77/96/82/1242779682.db2.gz KERPZWPRKFVKQE-BLXWGWSPSA-N 2 0 343.515 2.099 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C/C=C\Cl)C[C@H]32)CC1 ZINC001050208936 1243124687 /nfs/dbraw/zinc/12/46/87/1243124687.db2.gz WQXCKPSLPQHSDH-OICRMLJZSA-N 2 0 349.906 2.007 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC1 ZINC001050393394 1243497788 /nfs/dbraw/zinc/49/77/88/1243497788.db2.gz UJKNSWQFUSQSCW-KESTWPANSA-N 2 0 345.531 2.396 20 30 EEEDRP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)cccc2C1 ZINC001051289561 1245483490 /nfs/dbraw/zinc/48/34/90/1245483490.db2.gz JYEMRMJKFUWVEF-VQTJNVASSA-N 2 0 339.483 2.024 20 30 EEEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053104158 1245916285 /nfs/dbraw/zinc/91/62/85/1245916285.db2.gz CQGQPWXRABKTNG-MSOLQXFVSA-N 2 0 331.504 2.361 20 30 EEEDRP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052353 1247242000 /nfs/dbraw/zinc/24/20/00/1247242000.db2.gz UTTPPHSHBWDIEV-FQEVSTJZSA-N 2 0 341.499 2.447 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054147783 1247526801 /nfs/dbraw/zinc/52/68/01/1247526801.db2.gz XYPOOANQZRRAPD-UYAOXDASSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171303 1247597293 /nfs/dbraw/zinc/59/72/93/1247597293.db2.gz OCPLRKISYYYFHZ-QUCCMNQESA-N 2 0 331.504 2.361 20 30 EEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186693 1247655605 /nfs/dbraw/zinc/65/56/05/1247655605.db2.gz ZUCHPRFITKSDNU-HXUWFJFHSA-N 2 0 343.471 2.293 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054228740 1247783399 /nfs/dbraw/zinc/78/33/99/1247783399.db2.gz YRQGGTBDESFBQQ-AEFFLSMTSA-N 2 0 339.911 2.395 20 30 EEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098958851 1257877263 /nfs/dbraw/zinc/87/72/63/1257877263.db2.gz CVTNIUMQGJRLPU-NSHGMRRFSA-N 2 0 331.504 2.408 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098990957 1257918794 /nfs/dbraw/zinc/91/87/94/1257918794.db2.gz LKKMJOTWFIUCOT-BJLQDIEVSA-N 2 0 331.504 2.102 20 30 EEEDRP C=C(Br)C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001491361391 1259001142 /nfs/dbraw/zinc/00/11/42/1259001142.db2.gz QJIMNCNTFIAQJA-UHFFFAOYSA-N 2 0 346.313 2.254 20 30 EEEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001100859784 1259358750 /nfs/dbraw/zinc/35/87/50/1259358750.db2.gz BYNAHVYJIYWZDD-NKELODKYSA-N 2 0 327.472 2.187 20 30 EEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200893721 1287210608 /nfs/dbraw/zinc/21/06/08/1287210608.db2.gz FSGJALUXHGJPTB-GOSISDBHSA-N 2 0 342.443 2.121 20 30 EEEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001134762798 1278011852 /nfs/dbraw/zinc/01/18/52/1278011852.db2.gz HGUZSRFEZYHBSF-SFHVURJKSA-N 2 0 328.460 2.027 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107263 1279766458 /nfs/dbraw/zinc/76/64/58/1279766458.db2.gz MLTDTYHVFTZCNO-GVDBMIGSSA-N 2 0 325.472 2.165 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001193600666 1282628987 /nfs/dbraw/zinc/62/89/87/1282628987.db2.gz JAKURWHHNMWRDQ-HXUWFJFHSA-N 2 0 341.499 2.303 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001211233730 1295772432 /nfs/dbraw/zinc/77/24/32/1295772432.db2.gz NIVLKYVHPWBOKN-FQEVSTJZSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855624 1296621806 /nfs/dbraw/zinc/62/18/06/1296621806.db2.gz IKTMYNWIDFBKHX-QRQLOZEOSA-N 2 0 349.519 2.033 20 30 EEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223707248 1300236905 /nfs/dbraw/zinc/23/69/05/1300236905.db2.gz QYNOIYFMTGGMGT-QYZOEREBSA-N 2 0 333.520 2.299 20 30 EEEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290395 1300749699 /nfs/dbraw/zinc/74/96/99/1300749699.db2.gz CBGGWBUTXQTCRR-VQIMIIECSA-N 2 0 342.487 2.084 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994130 1302040197 /nfs/dbraw/zinc/04/01/97/1302040197.db2.gz RTOJVEOZSGKCFI-QRQLOZEOSA-N 2 0 333.520 2.369 20 30 EEEDRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001228255136 1302176873 /nfs/dbraw/zinc/17/68/73/1302176873.db2.gz PROXDYXFORXXRB-RTBURBONSA-N 2 0 342.487 2.417 20 30 EEEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001228365387 1302226188 /nfs/dbraw/zinc/22/61/88/1302226188.db2.gz DNKXEHPYYGCMBG-QZTJIDSGSA-N 2 0 328.460 2.027 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559662 1302316594 /nfs/dbraw/zinc/31/65/94/1302316594.db2.gz WTVOYAFDDZFXAK-KURKYZTESA-N 2 0 339.524 2.326 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)C1 ZINC001230138089 1303082718 /nfs/dbraw/zinc/08/27/18/1303082718.db2.gz FOIJFYSBRJEJER-VAMGGRTRSA-N 2 0 339.483 2.007 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591746 1303299938 /nfs/dbraw/zinc/29/99/38/1303299938.db2.gz IJGDPWYWGHJQHL-MRXNPFEDSA-N 2 0 327.900 2.394 20 30 EEEDRP N#CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940785 1305209627 /nfs/dbraw/zinc/20/96/27/1305209627.db2.gz GFEXFFNETGYTLL-UYAOXDASSA-N 2 0 344.503 2.089 20 30 EEEDRP N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCCC[NH3+])C3)C2)c1 ZINC001235638168 1305310266 /nfs/dbraw/zinc/31/02/66/1305310266.db2.gz WOBGIPWUTSJWSH-FQEVSTJZSA-N 2 0 342.487 2.216 20 30 EEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546495 1305318405 /nfs/dbraw/zinc/31/84/05/1305318405.db2.gz PSSOTESRHRLVGJ-ZWKOTPCHSA-N 2 0 349.519 2.225 20 30 EEEDRP CCc1cc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc1C#N ZINC001278034266 1305753199 /nfs/dbraw/zinc/75/31/99/1305753199.db2.gz RNZXXCFPKIAUDO-VQTJNVASSA-N 2 0 326.488 2.188 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238115581 1306229434 /nfs/dbraw/zinc/22/94/34/1306229434.db2.gz JKIFZANKICTPNM-UHFFFAOYSA-N 2 0 339.487 2.126 20 30 EEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001121112031 1309918430 /nfs/dbraw/zinc/91/84/30/1309918430.db2.gz MZOADRYCXVBGJE-UHFFFAOYSA-N 2 0 331.504 2.291 20 30 EEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001121123782 1309923313 /nfs/dbraw/zinc/92/33/13/1309923313.db2.gz YQBMBHGNBGGQLL-WZXTXQKWSA-N 2 0 331.504 2.311 20 30 EEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122074538 1310213875 /nfs/dbraw/zinc/21/38/75/1310213875.db2.gz APUYFZHEUCAMNA-ZWKOTPCHSA-N 2 0 339.524 2.434 20 30 EEEDRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC001246081925 1310232088 /nfs/dbraw/zinc/23/20/88/1310232088.db2.gz JYYJVPNSSBFWTD-WBVHZDCISA-N 2 0 340.471 2.141 20 30 EEEDRP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866274 1320296370 /nfs/dbraw/zinc/29/63/70/1320296370.db2.gz AIFZMOAFAGVYQM-PMACEKPBSA-N 2 0 339.483 2.151 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C12CCC2 ZINC001203103624 1315055438 /nfs/dbraw/zinc/05/54/38/1315055438.db2.gz LWMFCNDXRLUONZ-IAGOWNOFSA-N 2 0 331.504 2.290 20 30 EEEDRP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606584 1316313556 /nfs/dbraw/zinc/31/35/56/1316313556.db2.gz HGOPTFXURNTHRE-ROUUACIJSA-N 2 0 339.524 2.280 20 30 EEEDRP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706786 1316349487 /nfs/dbraw/zinc/34/94/87/1316349487.db2.gz NKRFCTYFRGTAKQ-MSOLQXFVSA-N 2 0 339.524 2.116 20 30 EEEDRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206653408 1317479824 /nfs/dbraw/zinc/47/98/24/1317479824.db2.gz BMHMMRJABKPJCJ-UHFFFAOYSA-N 2 0 342.487 2.228 20 30 EEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158154953 1319046258 /nfs/dbraw/zinc/04/62/58/1319046258.db2.gz DZKTVCIDOCCFGM-LJQANCHMSA-N 2 0 342.487 2.244 20 30 EEEDRP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001158397805 1319219762 /nfs/dbraw/zinc/21/97/62/1319219762.db2.gz PULLCJQJUJNGOZ-RTBURBONSA-N 2 0 333.520 2.445 20 30 EEEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001158403279 1319221730 /nfs/dbraw/zinc/22/17/30/1319221730.db2.gz CJNONYCJXOJARC-RBUKOAKNSA-N 2 0 345.462 2.003 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(C)C)CC1 ZINC001158914989 1319505219 /nfs/dbraw/zinc/50/52/19/1319505219.db2.gz YAKZRULPAKYVHV-LJQANCHMSA-N 2 0 333.520 2.301 20 30 EEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160546738 1320193288 /nfs/dbraw/zinc/19/32/88/1320193288.db2.gz WZLZVNGYLDARPS-UHFFFAOYSA-N 2 0 340.471 2.070 20 30 EEEDRP N#CC1(c2ccc(-n3cc(CC[NH3+])c4c[nH+]ccc43)nc2)CCOCC1 ZINC001160950623 1320329253 /nfs/dbraw/zinc/32/92/53/1320329253.db2.gz OLIBBJJNLPWRBH-UHFFFAOYSA-N 2 0 347.422 2.493 20 30 EEEDRP CC(C)(C)CN(C(=O)[C@@H]([NH3+])Cc1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC001161257934 1320436822 /nfs/dbraw/zinc/43/68/22/1320436822.db2.gz GCYWIJRPGCUFOZ-SFHVURJKSA-N 2 0 342.487 2.055 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001161863759 1320653384 /nfs/dbraw/zinc/65/33/84/1320653384.db2.gz QOIVKVCNOBSCBS-UHFFFAOYSA-N 2 0 333.395 2.116 20 30 EEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001162928089 1320989910 /nfs/dbraw/zinc/98/99/10/1320989910.db2.gz FAXKRXMKZXWJET-IEBWSBKVSA-N 2 0 329.488 2.031 20 30 EEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164536640 1321411521 /nfs/dbraw/zinc/41/15/21/1321411521.db2.gz PBOZTOHCCIKQJY-KRWDZBQOSA-N 2 0 331.504 2.150 20 30 EEEDRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001165253501 1321484364 /nfs/dbraw/zinc/48/43/64/1321484364.db2.gz HLDWMIBQWLBKIL-UHFFFAOYSA-N 2 0 347.890 2.129 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001166627413 1321753597 /nfs/dbraw/zinc/75/35/97/1321753597.db2.gz VBYFYSSVYLNAEY-MRXNPFEDSA-N 2 0 347.890 2.272 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823492 1321968685 /nfs/dbraw/zinc/96/86/85/1321968685.db2.gz KVTIYKONLCSLIP-QZTJIDSGSA-N 2 0 331.504 2.293 20 30 EEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458626 1323144935 /nfs/dbraw/zinc/14/49/35/1323144935.db2.gz PZZMWOKTXJZHBC-RBUKOAKNSA-N 2 0 345.462 2.073 20 30 EEEDRP C=CCCC[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209160793 1324827780 /nfs/dbraw/zinc/82/77/80/1324827780.db2.gz CDAPHKPPNRRELD-UHFFFAOYSA-N 2 0 333.480 2.062 20 30 EEEDRP C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210477353 1325300257 /nfs/dbraw/zinc/30/02/57/1325300257.db2.gz RUMFWEMIDSYHDY-TZMCWYRMSA-N 2 0 346.313 2.063 20 30 EEEDRP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001340207424 1337137615 /nfs/dbraw/zinc/13/76/15/1337137615.db2.gz PLEMRSMANAXJFX-IRXDYDNUSA-N 2 0 346.523 2.194 20 30 EEEDRP N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001580036405 1344453698 /nfs/dbraw/zinc/45/36/98/1344453698.db2.gz UQSJTGZAKYBIOG-IBGZPJMESA-N 2 0 330.451 2.398 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702031 1370559922 /nfs/dbraw/zinc/55/99/22/1370559922.db2.gz RXKQNVREQXSSDC-HKUYNNGSSA-N 2 0 341.499 2.397 20 30 EEEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001112396943 1371430510 /nfs/dbraw/zinc/43/05/10/1371430510.db2.gz LSRDZZVEZDWPCX-CUWPLCDZSA-N 2 0 343.515 2.245 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(F)c(C#N)c(F)c3)CC2)CC1 ZINC001140755567 1372665340 /nfs/dbraw/zinc/66/53/40/1372665340.db2.gz LAGWEZQNUUEWGH-UHFFFAOYSA-N 2 0 348.441 2.296 20 30 EEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001389729501 1388273040 /nfs/dbraw/zinc/27/30/40/1388273040.db2.gz OQIBHIUELITIGY-OAHLLOKOSA-N 2 0 327.900 2.394 20 30 EEEDRP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC001372483177 1376032953 /nfs/dbraw/zinc/03/29/53/1376032953.db2.gz ZRGDIHBBBGWGPO-UHFFFAOYSA-N 2 0 342.487 2.372 20 30 EEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001374933559 1377194964 /nfs/dbraw/zinc/19/49/64/1377194964.db2.gz KATNABMVILVFEI-AWEZNQCLSA-N 2 0 348.466 2.270 20 30 EEEDRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1ccc(C#N)cc1 ZINC001377046727 1378945527 /nfs/dbraw/zinc/94/55/27/1378945527.db2.gz JVSDOEMFVOKZJB-MRXNPFEDSA-N 2 0 340.471 2.171 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390609343 1388697528 /nfs/dbraw/zinc/69/75/28/1388697528.db2.gz HLAZIFITIMBNKW-CABCVRRESA-N 2 0 348.516 2.479 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001380670371 1381330661 /nfs/dbraw/zinc/33/06/61/1381330661.db2.gz NNYPNFWITQNRSE-LSDHHAIUSA-N 2 0 348.516 2.288 20 30 EEEDRP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001381177926 1381547606 /nfs/dbraw/zinc/54/76/06/1381547606.db2.gz YJVOXNKHPHUCQD-CABCVRRESA-N 2 0 348.516 2.431 20 30 EEEDRP C=C(Br)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001381277004 1381580942 /nfs/dbraw/zinc/58/09/42/1381580942.db2.gz VAEZTPNVNYIYNV-KBPBESRZSA-N 2 0 346.313 2.206 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001382361676 1382086850 /nfs/dbraw/zinc/08/68/50/1382086850.db2.gz QIWYQKDCTPFWIM-APWZRJJASA-N 2 0 342.487 2.369 20 30 EEEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885764 1389686015 /nfs/dbraw/zinc/68/60/15/1389686015.db2.gz HEUTVFVDDZIFNB-APWZRJJASA-N 2 0 342.487 2.273 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001393804642 1390547895 /nfs/dbraw/zinc/54/78/95/1390547895.db2.gz QQQKQLQJRVFYLW-AWEZNQCLSA-N 2 0 346.450 2.166 20 30 EEEDRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001397124316 1391094183 /nfs/dbraw/zinc/09/41/83/1391094183.db2.gz WWISPVUHMIVRIM-IYARVYRRSA-N 2 0 340.471 2.027 20 30 EEEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001752921203 1406548593 /nfs/dbraw/zinc/54/85/93/1406548593.db2.gz NSMDRUAQHQISRV-QUCCMNQESA-N 2 0 341.499 2.253 20 30 EEEDRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001402822902 1398225489 /nfs/dbraw/zinc/22/54/89/1398225489.db2.gz LZHFXWNFUKJQPT-HNNXBMFYSA-N 2 0 328.460 2.027 20 30 EEEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001754947233 1407008886 /nfs/dbraw/zinc/00/88/86/1407008886.db2.gz IBEZRLMUIJKPOR-QGZVFWFLSA-N 2 0 339.483 2.463 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001423317406 1400517142 /nfs/dbraw/zinc/51/71/42/1400517142.db2.gz FEMHGRNVFMCMDU-XJKSGUPXSA-N 2 0 334.489 2.041 20 30 EEEDRP C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CCC[NH+](C)C ZINC001425876307 1401785829 /nfs/dbraw/zinc/78/58/29/1401785829.db2.gz JWCAFTKLBCHMQA-RDTXWAMCSA-N 2 0 346.450 2.118 20 30 EEEDRP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755521743 1407580609 /nfs/dbraw/zinc/58/06/09/1407580609.db2.gz PIIGJAFUGVFHOJ-AZUAARDMSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001755573453 1407643970 /nfs/dbraw/zinc/64/39/70/1407643970.db2.gz REXDYYRKWYDJQE-MOPGFXCFSA-N 2 0 333.520 2.347 20 30 EEEDRP C=CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001075411086 759385843 /nfs/dbraw/zinc/38/58/43/759385843.db2.gz MSRHXFUGNHFPFD-ZWKOTPCHSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001075418075 759633676 /nfs/dbraw/zinc/63/36/76/759633676.db2.gz WOMNFNIEBSYUCF-QUCCMNQESA-N 2 0 349.519 2.034 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627531 760768503 /nfs/dbraw/zinc/76/85/03/760768503.db2.gz PDROINUADYXBOG-CQSZACIVSA-N 2 0 346.313 2.254 20 30 EEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167700674 761877187 /nfs/dbraw/zinc/87/71/87/761877187.db2.gz SQBOZFOTQSWEAF-HXUWFJFHSA-N 2 0 341.499 2.363 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509071 770001746 /nfs/dbraw/zinc/00/17/46/770001746.db2.gz DRKZIKOGXIKQQG-ZWKOTPCHSA-N 2 0 333.520 2.491 20 30 EEEDRP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000995260552 782894350 /nfs/dbraw/zinc/89/43/50/782894350.db2.gz RQJNFAADRIWNDH-RTBURBONSA-N 2 0 342.487 2.012 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212821 783065516 /nfs/dbraw/zinc/06/55/16/783065516.db2.gz SKESXMRZUGYHJD-HSALFYBXSA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108097385 783095527 /nfs/dbraw/zinc/09/55/27/783095527.db2.gz IFNUWEGNKMPKPS-ICSRJNTNSA-N 2 0 349.519 2.034 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)[C@@H](C)C2)CC1 ZINC000948070294 773434250 /nfs/dbraw/zinc/43/42/50/773434250.db2.gz OLJSUJBGMCLXBO-GRNKITJOSA-N 2 0 337.895 2.053 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334711 777190685 /nfs/dbraw/zinc/19/06/85/777190685.db2.gz ODNWTOJWSIAWIV-CABCVRRESA-N 2 0 327.900 2.488 20 30 EEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807661 783530609 /nfs/dbraw/zinc/53/06/09/783530609.db2.gz BUFURGKHCAGEAR-ZCNNSNEGSA-N 2 0 345.531 2.443 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001135370825 783659305 /nfs/dbraw/zinc/65/93/05/783659305.db2.gz BDXNBCMGAXEWGG-ZIAGYGMSSA-N 2 0 334.439 2.022 20 30 EEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481752 783836868 /nfs/dbraw/zinc/83/68/68/783836868.db2.gz WVKCIRVVTAOZNN-MSOLQXFVSA-N 2 0 329.488 2.057 20 30 EEEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199813 784038727 /nfs/dbraw/zinc/03/87/27/784038727.db2.gz PQRILXAGQFNYEG-SFHVURJKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035200279 784039953 /nfs/dbraw/zinc/03/99/53/784039953.db2.gz OEYDLFOVWQJADO-UHFFFAOYSA-N 2 0 343.515 2.200 20 30 EEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193438 784082537 /nfs/dbraw/zinc/08/25/37/784082537.db2.gz CNQPWPQHHQNIOM-MRXNPFEDSA-N 2 0 339.911 2.394 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135744329 784353575 /nfs/dbraw/zinc/35/35/75/784353575.db2.gz ZQUNDQCVXSXBIW-UONOGXRCSA-N 2 0 336.505 2.334 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135860364 784648227 /nfs/dbraw/zinc/64/82/27/784648227.db2.gz ATFMZLRKFOBWAA-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996099355 786010412 /nfs/dbraw/zinc/01/04/12/786010412.db2.gz LYZKIMARCQEDOP-CVEARBPZSA-N 2 0 339.911 2.440 20 30 EEEDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000996690699 787148745 /nfs/dbraw/zinc/14/87/45/787148745.db2.gz YXIQXBTUJCBAEC-KRWDZBQOSA-N 2 0 348.516 2.287 20 30 EEEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581693 787744838 /nfs/dbraw/zinc/74/48/38/787744838.db2.gz JBUCKNZJVZPHRF-UYAOXDASSA-N 2 0 333.520 2.493 20 30 EEEDRP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099570547 787955295 /nfs/dbraw/zinc/95/52/95/787955295.db2.gz RTJGRZNJLOXHFN-MSOLQXFVSA-N 2 0 349.519 2.034 20 30 EEEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923359570 789450324 /nfs/dbraw/zinc/45/03/24/789450324.db2.gz SBRPHNJDYDMJEV-GBESFXJTSA-N 2 0 343.471 2.010 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285489 789496540 /nfs/dbraw/zinc/49/65/40/789496540.db2.gz ZGGKIYWHPSRUMZ-ZOBUZTSGSA-N 2 0 325.884 2.051 20 30 EEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089908906 789795185 /nfs/dbraw/zinc/79/51/85/789795185.db2.gz HHPKRDSYCVZPGD-OKYOBFRVSA-N 2 0 331.504 2.217 20 30 EEEDRP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089909106 789835042 /nfs/dbraw/zinc/83/50/42/789835042.db2.gz HZDKMCPNQTYOHH-YRPNKDGESA-N 2 0 343.515 2.055 20 30 EEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3cnc4c3CCCC4)CCC[C@@H]12 ZINC000991879989 791227284 /nfs/dbraw/zinc/22/72/84/791227284.db2.gz BEYHRFFCQOPZFF-IEBWSBKVSA-N 2 0 328.460 2.061 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccsc3)[C@@H]2C)CC1 ZINC001089059335 792021079 /nfs/dbraw/zinc/02/10/79/792021079.db2.gz IOJFXEWAUQBIOH-QAPCUYQASA-N 2 0 345.512 2.172 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998278212 792438986 /nfs/dbraw/zinc/43/89/86/792438986.db2.gz RQOQNCOUOVWMMF-UONOGXRCSA-N 2 0 347.425 2.416 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC001086882175 792892687 /nfs/dbraw/zinc/89/26/87/792892687.db2.gz DWAZPIQTJJLNQI-PKOBYXMFSA-N 2 0 331.504 2.006 20 30 EEEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC000999345969 794335755 /nfs/dbraw/zinc/33/57/55/794335755.db2.gz CAXSHNMAOWGRFS-SFHVURJKSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907436 794426883 /nfs/dbraw/zinc/42/68/83/794426883.db2.gz NENHJZAOABVMJU-LMMKCTJWSA-N 2 0 331.504 2.101 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730862 794676245 /nfs/dbraw/zinc/67/62/45/794676245.db2.gz KIVAWRUEWHTPBK-WBVHZDCISA-N 2 0 345.512 2.369 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C\CC)CC1 ZINC001110147214 795387866 /nfs/dbraw/zinc/38/78/66/795387866.db2.gz PWEOJYXLRPQNSA-ZOYAEOFMSA-N 2 0 343.515 2.409 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC=C)CC1 ZINC001110152289 795871283 /nfs/dbraw/zinc/87/12/83/795871283.db2.gz MZBDZRXXLMPKMX-QYZOEREBSA-N 2 0 329.488 2.019 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318206 795881604 /nfs/dbraw/zinc/88/16/04/795881604.db2.gz KDUSPUPGJJPXSG-BHIYHBOVSA-N 2 0 331.504 2.243 20 30 EEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441361 796014683 /nfs/dbraw/zinc/01/46/83/796014683.db2.gz KABOCBVORRSYBH-RKVPGOIHSA-N 2 0 325.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC3CC3)C2)CC1 ZINC001036901956 796438961 /nfs/dbraw/zinc/43/89/61/796438961.db2.gz BILSPAHDJSIFLR-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC=C(C)C)C2)CC1 ZINC001036902853 796441836 /nfs/dbraw/zinc/44/18/36/796441836.db2.gz QVVCCLUKIFZIDQ-VQTJNVASSA-N 2 0 343.515 2.221 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC(C)C)C2)CC1 ZINC001036904941 796447968 /nfs/dbraw/zinc/44/79/68/796447968.db2.gz ZWOKXKJSDZOALD-VQTJNVASSA-N 2 0 345.531 2.301 20 30 EEEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106779789 796517662 /nfs/dbraw/zinc/51/76/62/796517662.db2.gz WICBZHPGPZMBGF-UYAOXDASSA-N 2 0 341.499 2.064 20 30 EEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001171515422 796624964 /nfs/dbraw/zinc/62/49/64/796624964.db2.gz ISFLICJOSSKYJM-QGZVFWFLSA-N 2 0 339.524 2.186 20 30 EEEDRP C[NH+]1CCC2(C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)CC1 ZINC001172989498 797183461 /nfs/dbraw/zinc/18/34/61/797183461.db2.gz HIQMEDSJCGCMTG-CVEARBPZSA-N 2 0 348.491 2.306 20 30 EEEDRP CC#CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943714 797361596 /nfs/dbraw/zinc/36/15/96/797361596.db2.gz XDJOCWDXTYZHMN-UHFFFAOYSA-N 2 0 327.472 2.213 20 30 EEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262733 798059849 /nfs/dbraw/zinc/05/98/49/798059849.db2.gz LCTXVIFMIPSBNA-APWZRJJASA-N 2 0 339.499 2.487 20 30 EEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176601076 798516244 /nfs/dbraw/zinc/51/62/44/798516244.db2.gz RXCRUHWLVSQCBF-ZWKOTPCHSA-N 2 0 339.524 2.186 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049620 798638316 /nfs/dbraw/zinc/63/83/16/798638316.db2.gz OEGVBFPRUJASSN-QRVBRYPASA-N 2 0 331.504 2.197 20 30 EEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001177339733 798874021 /nfs/dbraw/zinc/87/40/21/798874021.db2.gz MZOCEAVNYJRTRB-UHFFFAOYSA-N 2 0 333.520 2.493 20 30 EEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001177375932 798890439 /nfs/dbraw/zinc/89/04/39/798890439.db2.gz RGWXPLZAEUSCBA-HXUWFJFHSA-N 2 0 345.531 2.493 20 30 EEEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178526950 799508808 /nfs/dbraw/zinc/50/88/08/799508808.db2.gz FTFBZJXAUSBIJT-ZWKOTPCHSA-N 2 0 339.524 2.186 20 30 EEEDRP CC[C@H](C(=O)NCCCCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001179565746 799976626 /nfs/dbraw/zinc/97/66/26/799976626.db2.gz WJGAGUJTPNOCKT-GOSISDBHSA-N 2 0 339.524 2.023 20 30 EEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001179933127 800166371 /nfs/dbraw/zinc/16/63/71/800166371.db2.gz QHYFKEMAYKMGRL-UHFFFAOYSA-N 2 0 345.915 2.116 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC)[C@@H]2C)CC1 ZINC001180204659 800309084 /nfs/dbraw/zinc/30/90/84/800309084.db2.gz YBOGCXCHTQFHKM-HKUYNNGSSA-N 2 0 333.520 2.491 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755390 800894289 /nfs/dbraw/zinc/89/42/89/800894289.db2.gz PEQFVULKACNQNL-SRCQZFHVSA-N 2 0 327.900 2.153 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004460256 802128437 /nfs/dbraw/zinc/12/84/37/802128437.db2.gz YOBSRIJSFSYKMH-OALUTQOASA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642287 802550434 /nfs/dbraw/zinc/55/04/34/802550434.db2.gz CKHXXBWFEWJULP-WCIQWLHISA-N 2 0 343.515 2.197 20 30 EEEDRP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399861 803463306 /nfs/dbraw/zinc/46/33/06/803463306.db2.gz YOSNDCONKXGTMI-LJQANCHMSA-N 2 0 337.508 2.036 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001113093029 808104033 /nfs/dbraw/zinc/10/40/33/808104033.db2.gz XGRKALZZRYONQL-INIZCTEOSA-N 2 0 339.443 2.380 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001113677591 809518411 /nfs/dbraw/zinc/51/84/11/809518411.db2.gz CNDBQQKQKXHNTB-UHFFFAOYSA-N 2 0 333.520 2.302 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437323964 1089488024 /nfs/dbraw/zinc/48/80/24/1089488024.db2.gz DXTAURZSMRETAI-OALUTQOASA-N 2 0 342.487 2.417 20 30 EEEDRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001438309258 1090788271 /nfs/dbraw/zinc/78/82/71/1090788271.db2.gz ARCNMKSHYFMDPI-INIZCTEOSA-N 2 0 346.450 2.166 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001507293178 1115177450 /nfs/dbraw/zinc/17/74/50/1115177450.db2.gz PHKGVYKMFULASP-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442767270 242110200 /nfs/dbraw/zinc/11/02/00/242110200.db2.gz MJWMXKLUBYWLTP-FUHWJXTLSA-N 2 0 331.460 2.425 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000491852221 246182354 /nfs/dbraw/zinc/18/23/54/246182354.db2.gz YHOQTRVNZQVVSI-KHPPLWFESA-N 2 0 342.487 2.303 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000491808542 533100442 /nfs/dbraw/zinc/10/04/42/533100442.db2.gz WFDGCRNGZWWLKD-RBUKOAKNSA-N 2 0 348.535 2.238 20 30 EEEDRP C[C@H](CNc1ccc(C#N)c(NC[C@@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000291847781 267162974 /nfs/dbraw/zinc/16/29/74/267162974.db2.gz MEPQYJXOIBRSQM-HUUCEWRRSA-N 2 0 332.496 2.172 20 30 EEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000424164037 303151576 /nfs/dbraw/zinc/15/15/76/303151576.db2.gz WGAFKTPVULUHKU-FHWLQOOXSA-N 2 0 342.487 2.206 20 30 EEEDRP C[NH+](C)CCCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000576437212 320171444 /nfs/dbraw/zinc/17/14/44/320171444.db2.gz NCTWNNNFJIXASX-UHFFFAOYSA-N 2 0 330.476 2.180 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)CC1 ZINC000112919758 462554922 /nfs/dbraw/zinc/55/49/22/462554922.db2.gz GAIPUXCSZKZKRR-LJQANCHMSA-N 2 0 331.504 2.146 20 30 EEEDRP COc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C#N ZINC000136208821 463227763 /nfs/dbraw/zinc/22/77/63/463227763.db2.gz MICZGWSGQOZMMA-UHFFFAOYSA-N 2 0 340.427 2.192 20 30 EEEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491327844 468351520 /nfs/dbraw/zinc/35/15/20/468351520.db2.gz YGWWIMSYPMMYLY-MJGOQNOKSA-N 2 0 342.487 2.076 20 30 EEEDRP N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151239686 463497825 /nfs/dbraw/zinc/49/78/25/463497825.db2.gz KKBDFVXKMIQFDR-UHFFFAOYSA-N 2 0 335.411 2.104 20 30 EEEDRP C[C@H](CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c1)[NH+](C)C ZINC000277035247 463852011 /nfs/dbraw/zinc/85/20/11/463852011.db2.gz FHKJASNLVXGRDO-OLZOCXBDSA-N 2 0 348.451 2.190 20 30 EEEDRP C#CCCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185868285 463893916 /nfs/dbraw/zinc/89/39/16/463893916.db2.gz SLPJUTDKGJVNHG-GOSISDBHSA-N 2 0 329.488 2.204 20 30 EEEDRP CC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278724235 463978209 /nfs/dbraw/zinc/97/82/09/463978209.db2.gz TUASHOOOXARSGH-UHFFFAOYSA-N 2 0 338.459 2.433 20 30 EEEDRP CN(C)C(=[NH+]CCCC[NH+]1CCN(c2ccccc2)CC1)N(C)C ZINC000264071932 464280178 /nfs/dbraw/zinc/28/01/78/464280178.db2.gz DNYKMLYZXINILL-UHFFFAOYSA-N 2 0 331.508 2.068 20 30 EEEDRP C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343756529 465549675 /nfs/dbraw/zinc/54/96/75/465549675.db2.gz YYYPXPWBQJLVGE-FXAWDEMLSA-N 2 0 326.488 2.210 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(OC)c1 ZINC000349065112 465946725 /nfs/dbraw/zinc/94/67/25/465946725.db2.gz XNCBQQHRYNDUHC-LJQANCHMSA-N 2 0 344.503 2.415 20 30 EEEDRP C=CC(C)(C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454425622 467591958 /nfs/dbraw/zinc/59/19/58/467591958.db2.gz PBZXAFULPDEWGW-UHFFFAOYSA-N 2 0 345.491 2.105 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000454461301 467594173 /nfs/dbraw/zinc/59/41/73/467594173.db2.gz JEXNMCSKJSVWHR-UHFFFAOYSA-N 2 0 334.508 2.343 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171704144 526432225 /nfs/dbraw/zinc/43/22/25/526432225.db2.gz HWLKHOUOCUZTSB-UHFFFAOYSA-N 2 0 344.503 2.458 20 30 EEEDRP C=CCC[C@@H](O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370496327 527452320 /nfs/dbraw/zinc/45/23/20/527452320.db2.gz NMMOSHNVKJGOII-HXUWFJFHSA-N 2 0 337.552 2.442 20 30 EEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969154204 674641063 /nfs/dbraw/zinc/64/10/63/674641063.db2.gz ZKZVLHGADURQSJ-IBGZPJMESA-N 2 0 327.472 2.356 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614136 675264454 /nfs/dbraw/zinc/26/44/54/675264454.db2.gz KSXGOGDZAJIIDK-TVFCKZIOSA-N 2 0 347.890 2.321 20 30 EEEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711620 676369667 /nfs/dbraw/zinc/36/96/67/676369667.db2.gz YYRHQNIYKQQJMH-UXHICEINSA-N 2 0 343.515 2.055 20 30 EEEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000972331155 678553487 /nfs/dbraw/zinc/55/34/87/678553487.db2.gz INPZMKWLNVBPAG-LPHOPBHVSA-N 2 0 340.471 2.075 20 30 EEEDRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC000972354835 678594964 /nfs/dbraw/zinc/59/49/64/678594964.db2.gz PWMAMWJCLKAGSG-AEFFLSMTSA-N 2 0 346.450 2.070 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262335246 685404675 /nfs/dbraw/zinc/40/46/75/685404675.db2.gz BRFOHGJJIZFFBI-XDNAFOTISA-N 2 0 348.535 2.326 20 30 EEEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725887 682111317 /nfs/dbraw/zinc/11/13/17/682111317.db2.gz PJYNBSRMOUZVPR-UKAVVXHISA-N 2 0 345.531 2.301 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982735442 682120569 /nfs/dbraw/zinc/12/05/69/682120569.db2.gz HPPNGHVHSMHTIE-YSIASYRMSA-N 2 0 333.520 2.465 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258047 682336280 /nfs/dbraw/zinc/33/62/80/682336280.db2.gz CHBYXQGETCWWDY-QZTJIDSGSA-N 2 0 343.471 2.434 20 30 EEEDRP [NH2+]=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1)OCCCO2 ZINC000262011925 682840272 /nfs/dbraw/zinc/84/02/72/682840272.db2.gz ULBULSZKMXGPCD-UHFFFAOYSA-N 2 0 327.388 2.082 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557146 682995077 /nfs/dbraw/zinc/99/50/77/682995077.db2.gz FCLYREGYCCKEPT-QFBILLFUSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978639486 693764380 /nfs/dbraw/zinc/76/43/80/693764380.db2.gz OSBKKSOWLJMCGU-HAGHYFMRSA-N 2 0 343.515 2.101 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]12 ZINC001026428822 684634612 /nfs/dbraw/zinc/63/46/12/684634612.db2.gz NMLKFFCNUNDEMQ-BRWVUGGUSA-N 2 0 339.911 2.442 20 30 EEEDRP CC[NH+](CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)C1 ZINC000262383367 685715280 /nfs/dbraw/zinc/71/52/80/685715280.db2.gz KUIWBTCMCMYQNY-YYIAUSFCSA-N 2 0 336.524 2.182 20 30 EEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000988964729 691330956 /nfs/dbraw/zinc/33/09/56/691330956.db2.gz DVLNOZYQGUENGQ-ZIAGYGMSSA-N 2 0 346.500 2.183 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000943645550 1192435737 /nfs/dbraw/zinc/43/57/37/1192435737.db2.gz FGUNHIQOTYKYBB-AEFFLSMTSA-N 2 0 338.455 2.035 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037635 1192969959 /nfs/dbraw/zinc/96/99/59/1192969959.db2.gz YXECZWIMQKUHPS-GUDVDZBRSA-N 2 0 333.520 2.204 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001481749140 1182530341 /nfs/dbraw/zinc/53/03/41/1182530341.db2.gz OVLVHMGDXBNKMA-HNNXBMFYSA-N 2 0 348.516 2.384 20 30 EEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC000948565635 1193243531 /nfs/dbraw/zinc/24/35/31/1193243531.db2.gz GHSVNJCNGOWVQZ-HNNXBMFYSA-N 2 0 334.464 2.239 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC001088430134 1186866325 /nfs/dbraw/zinc/86/63/25/1186866325.db2.gz INNRMGGYLZHXEC-LJQANCHMSA-N 2 0 333.520 2.348 20 30 EEEDRP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001105486901 1188103508 /nfs/dbraw/zinc/10/35/08/1188103508.db2.gz DYXFQGPIGNHPSK-UHFFFAOYSA-N 2 0 337.508 2.033 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769983 1188488595 /nfs/dbraw/zinc/48/85/95/1188488595.db2.gz QWFPNDIIOICDNY-APWZRJJASA-N 2 0 327.472 2.007 20 30 EEEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809024 1194416916 /nfs/dbraw/zinc/41/69/16/1194416916.db2.gz WRYXDBBLXVBFKD-AQNXPRMDSA-N 2 0 345.531 2.445 20 30 EEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442657 1194574433 /nfs/dbraw/zinc/57/44/33/1194574433.db2.gz PYGIRTAVWDPLOW-QRVBRYPASA-N 2 0 327.472 2.051 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H]1C ZINC001410854011 1198505517 /nfs/dbraw/zinc/50/55/17/1198505517.db2.gz LAYMPZCBFGJBOI-VQIMIIECSA-N 2 0 342.487 2.369 20 30 EEEDRP C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000810300310 1199408548 /nfs/dbraw/zinc/40/85/48/1199408548.db2.gz QRUSTGWGHNZCPB-FQEVSTJZSA-N 2 0 341.499 2.085 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584517 1199673527 /nfs/dbraw/zinc/67/35/27/1199673527.db2.gz UVEXKRXDYYITCT-ZIAGYGMSSA-N 2 0 348.516 2.477 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001134749689 1199790319 /nfs/dbraw/zinc/79/03/19/1199790319.db2.gz BWSFHNORFCXRQM-GOSISDBHSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CC(C)(C)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878560874 1200542287 /nfs/dbraw/zinc/54/22/87/1200542287.db2.gz LTDQTZFZTOIZOM-UHFFFAOYSA-N 2 0 330.476 2.312 20 30 EEEDRP C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000886660725 1202541160 /nfs/dbraw/zinc/54/11/60/1202541160.db2.gz DXUKBZQJNUVYRS-HKUYNNGSSA-N 2 0 329.488 2.375 20 30 EEEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001274891880 1205201634 /nfs/dbraw/zinc/20/16/34/1205201634.db2.gz GEPVDJHDULVIFB-PMACEKPBSA-N 2 0 326.488 2.201 20 30 EEEDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001275290254 1205299463 /nfs/dbraw/zinc/29/94/63/1205299463.db2.gz BZXRCEZFNPBFBH-FQEVSTJZSA-N 2 0 326.488 2.408 20 30 EEEDRP Cc1n[nH]cc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276067310 1205759124 /nfs/dbraw/zinc/75/91/24/1205759124.db2.gz FIBGRKOQLYJYOY-UHFFFAOYSA-N 2 0 338.459 2.026 20 30 EEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533683 1205862004 /nfs/dbraw/zinc/86/20/04/1205862004.db2.gz JMSGNEAXXZDDHM-YDZRNGNQSA-N 2 0 329.488 2.138 20 30 EEEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NC(C)C)cc1OC ZINC000303881078 1213919841 /nfs/dbraw/zinc/91/98/41/1213919841.db2.gz HJEIADOPELWVMH-UHFFFAOYSA-N 2 0 336.480 2.229 20 30 EEEDRP [NH2+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NCC1CCC1 ZINC000303910421 1213923753 /nfs/dbraw/zinc/92/37/53/1213923753.db2.gz YWHNQDMNZLGGEV-UHFFFAOYSA-N 2 0 343.519 2.293 20 30 EEEDRP C#CC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000957578959 1215226059 /nfs/dbraw/zinc/22/60/59/1215226059.db2.gz DGYGZQLBFONEGL-UHFFFAOYSA-N 2 0 336.439 2.286 20 30 EEEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000304661886 1216082951 /nfs/dbraw/zinc/08/29/51/1216082951.db2.gz JYQWZXRUOJFPTM-INIZCTEOSA-N 2 0 343.519 2.318 20 30 EEEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000304999398 1216127044 /nfs/dbraw/zinc/12/70/44/1216127044.db2.gz GSPKMDPOYLSOKW-AWEZNQCLSA-N 2 0 334.464 2.408 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960290456 1216475440 /nfs/dbraw/zinc/47/54/40/1216475440.db2.gz PTBBAZBLLYUQOD-HCXYKTFWSA-N 2 0 331.504 2.406 20 30 EEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364960 1217560746 /nfs/dbraw/zinc/56/07/46/1217560746.db2.gz DRMMHQFAPWFQKF-MOPGFXCFSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000963947306 1218145555 /nfs/dbraw/zinc/14/55/55/1218145555.db2.gz QXEUACFDXYSKSI-JWALYWQKSA-N 2 0 329.488 2.044 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)C2)C1 ZINC001008535567 1222913713 /nfs/dbraw/zinc/91/37/13/1222913713.db2.gz TVINSCRUDOVTGO-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001016823022 1226905271 /nfs/dbraw/zinc/90/52/71/1226905271.db2.gz KKZGKWMEZMBKBF-ZBFHGGJFSA-N 2 0 328.460 2.376 20 30 EEEDRP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001019151413 1228803181 /nfs/dbraw/zinc/80/31/81/1228803181.db2.gz YWXLRYMPXUAGLD-SFHVURJKSA-N 2 0 345.406 2.210 20 30 EEEDRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054738388 1248967133 /nfs/dbraw/zinc/96/71/33/1248967133.db2.gz PLSGIQPBQPRTHZ-DYVFJYSZSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001020250707 1229583468 /nfs/dbraw/zinc/58/34/68/1229583468.db2.gz MEKUUKGWULJYMC-UFYCRDLUSA-N 2 0 339.483 2.083 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142233 1230359491 /nfs/dbraw/zinc/35/94/91/1230359491.db2.gz IATZWQDNCHLSKE-LJQANCHMSA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205125 1230431987 /nfs/dbraw/zinc/43/19/87/1230431987.db2.gz KUINWGLNBOPNKE-VQTJNVASSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001039250436 1230486110 /nfs/dbraw/zinc/48/61/10/1230486110.db2.gz KKXCJLQDQGFYCF-WOJBJXKFSA-N 2 0 343.515 2.221 20 30 EEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001039305701 1230518692 /nfs/dbraw/zinc/51/86/92/1230518692.db2.gz CVPQWJKGKAIIFO-MQVJKMGUSA-N 2 0 337.895 2.336 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397642 1230580434 /nfs/dbraw/zinc/58/04/34/1230580434.db2.gz SNIMQEXESBHHOR-AEFFLSMTSA-N 2 0 336.439 2.345 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240492 1231125427 /nfs/dbraw/zinc/12/54/27/1231125427.db2.gz HDFOIFISPBPODR-FPOVZHCZSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040725955 1231349068 /nfs/dbraw/zinc/34/90/68/1231349068.db2.gz HVROHDRJNLTSLX-MRXNPFEDSA-N 2 0 339.911 2.394 20 30 EEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947977 1231408190 /nfs/dbraw/zinc/40/81/90/1231408190.db2.gz LFRGAJRXQFSYBW-HDICACEKSA-N 2 0 331.504 2.197 20 30 EEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044856962 1233319577 /nfs/dbraw/zinc/31/95/77/1233319577.db2.gz CSNLZENMDYJPRO-QFBILLFUSA-N 2 0 340.471 2.123 20 30 EEEDRP C#CCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045616113 1233860526 /nfs/dbraw/zinc/86/05/26/1233860526.db2.gz SZDBFABTPRRKOZ-UHFFFAOYSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045957832 1234230439 /nfs/dbraw/zinc/23/04/39/1234230439.db2.gz GKOZYODKMDYZNL-HXUWFJFHSA-N 2 0 331.504 2.199 20 30 EEEDRP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001046951491 1235347989 /nfs/dbraw/zinc/34/79/89/1235347989.db2.gz MMZMSRANBWCQMU-BFHYXJOUSA-N 2 0 338.402 2.163 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046955009 1235352985 /nfs/dbraw/zinc/35/29/85/1235352985.db2.gz WPAOWBGTTGPUJB-CABCVRRESA-N 2 0 329.435 2.120 20 30 EEEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046967783 1235368885 /nfs/dbraw/zinc/36/88/85/1235368885.db2.gz XPIFCCGHQQAOTR-HRCADAONSA-N 2 0 343.462 2.366 20 30 EEEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047265145 1235777861 /nfs/dbraw/zinc/77/78/61/1235777861.db2.gz XXQYKKYERBOXFD-IBGZPJMESA-N 2 0 343.515 2.056 20 30 EEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545520 1237930423 /nfs/dbraw/zinc/93/04/23/1237930423.db2.gz ATDZMEVGQOMURH-VBUUOAMHSA-N 2 0 336.439 2.330 20 30 EEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860078 1239059988 /nfs/dbraw/zinc/05/99/88/1239059988.db2.gz FXZABEGTPAJCNX-QRVBRYPASA-N 2 0 333.520 2.321 20 30 EEEDRP Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001096432722 1239064416 /nfs/dbraw/zinc/06/44/16/1239064416.db2.gz AKSKCPMANMUIBQ-NEWSRXKRSA-N 2 0 349.438 2.054 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001000208582 1240061880 /nfs/dbraw/zinc/06/18/80/1240061880.db2.gz MKPZMQQXDFNARY-CRAIPNDOSA-N 2 0 325.472 2.356 20 30 EEEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001353950 1242118846 /nfs/dbraw/zinc/11/88/46/1242118846.db2.gz NYRXGNUFLFEJFL-LJQANCHMSA-N 2 0 331.504 2.413 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049767757 1242135287 /nfs/dbraw/zinc/13/52/87/1242135287.db2.gz RAQDQLIZOVFBBN-GUDVDZBRSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913372 1242676680 /nfs/dbraw/zinc/67/66/80/1242676680.db2.gz WJUCFTLVQLQSTG-PMACEKPBSA-N 2 0 339.483 2.450 20 30 EEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001050141909 1242968585 /nfs/dbraw/zinc/96/85/85/1242968585.db2.gz YIEAKRRXMHRCCP-FCEWJHQRSA-N 2 0 337.483 2.308 20 30 EEEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001050630466 1243991768 /nfs/dbraw/zinc/99/17/68/1243991768.db2.gz QYCIVNDCTMAKTQ-GOSISDBHSA-N 2 0 331.504 2.056 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)CCC=C)CC1 ZINC001111455098 1244598756 /nfs/dbraw/zinc/59/87/56/1244598756.db2.gz MEUZXUMRVLYLSS-NBYUQASBSA-N 2 0 343.515 2.408 20 30 EEEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001052933209 1245504983 /nfs/dbraw/zinc/50/49/83/1245504983.db2.gz XVLITHAEKZAJOC-GJZGRUSLSA-N 2 0 346.500 2.042 20 30 EEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053043774 1245755840 /nfs/dbraw/zinc/75/58/40/1245755840.db2.gz ZGSBOUCCVHXMSD-MOPGFXCFSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053101390 1245909469 /nfs/dbraw/zinc/90/94/69/1245909469.db2.gz NJZSZJHKDDQQNZ-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105205 1245920409 /nfs/dbraw/zinc/92/04/09/1245920409.db2.gz MSHVPPAJTYHDJG-RBUKOAKNSA-N 2 0 343.515 2.199 20 30 EEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054158051 1247559253 /nfs/dbraw/zinc/55/92/53/1247559253.db2.gz DFUBSZOTTVUIHN-FPOVZHCZSA-N 2 0 345.531 2.445 20 30 EEEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100898664 1259409851 /nfs/dbraw/zinc/40/98/51/1259409851.db2.gz UROZJWUGBXUOIE-UHFFFAOYSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185516857 1278684560 /nfs/dbraw/zinc/68/45/60/1278684560.db2.gz NXNCWHBIMLOPPZ-HZPDHXFCSA-N 2 0 330.476 2.412 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001185780006 1278779207 /nfs/dbraw/zinc/77/92/07/1278779207.db2.gz ROZKOJQVYPXDNR-OALUTQOASA-N 2 0 333.520 2.350 20 30 EEEDRP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773979 1278019240 /nfs/dbraw/zinc/01/92/40/1278019240.db2.gz SNZZBWJNYXVSFY-QWHCGFSZSA-N 2 0 348.329 2.498 20 30 EEEDRP CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392261 1284955680 /nfs/dbraw/zinc/95/56/80/1284955680.db2.gz KJSGKCLGMBFXSY-KDOFPFPSSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1OC ZINC001198977976 1285456182 /nfs/dbraw/zinc/45/61/82/1285456182.db2.gz YCAMESKENJMIAN-QGZVFWFLSA-N 2 0 342.443 2.292 20 30 EEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201130448 1289340927 /nfs/dbraw/zinc/34/09/27/1289340927.db2.gz XDJXTBNWORROBA-KRWDZBQOSA-N 2 0 337.508 2.034 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015110 1296696828 /nfs/dbraw/zinc/69/68/28/1296696828.db2.gz GZNHEBCYBXOINO-CZUORRHYSA-N 2 0 336.867 2.097 20 30 EEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073454642 1297079913 /nfs/dbraw/zinc/07/99/13/1297079913.db2.gz PSIYSSKPVOGGGH-UHFFFAOYSA-N 2 0 327.472 2.472 20 30 EEEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc2c1C(=O)CC1(CC[NH2+]CC1)O2 ZINC001218210921 1297599423 /nfs/dbraw/zinc/59/94/23/1297599423.db2.gz MFUDZBIXFKCPDC-QGZVFWFLSA-N 2 0 328.412 2.071 20 30 EEEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cccc(F)c2OC2CC[NH2+]CC2)C1 ZINC001219303359 1297978726 /nfs/dbraw/zinc/97/87/26/1297978726.db2.gz SWTUAUOSCGIXGF-SFHVURJKSA-N 2 0 333.407 2.203 20 30 EEEDRP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CC)C1 ZINC001099542073 1299201562 /nfs/dbraw/zinc/20/15/62/1299201562.db2.gz AQQOLRZECZZPAJ-QAETUUGQSA-N 2 0 339.911 2.250 20 30 EEEDRP C#CCCC[N@@H+]1CCc2cc(C(=O)N(C)CC[NH+](CC)CC)[nH]c2C1 ZINC001276979329 1300639225 /nfs/dbraw/zinc/63/92/25/1300639225.db2.gz FRTPHEBJBVIBBA-UHFFFAOYSA-N 2 0 344.503 2.200 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001225087892 1300885483 /nfs/dbraw/zinc/88/54/83/1300885483.db2.gz OPXZUCLEXHGWPZ-UHFFFAOYSA-N 2 0 348.516 2.290 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001102596828 1301271478 /nfs/dbraw/zinc/27/14/78/1301271478.db2.gz ZWUTXRAJEVCYPK-UYAOXDASSA-N 2 0 347.547 2.452 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987674 1302029672 /nfs/dbraw/zinc/02/96/72/1302029672.db2.gz MUTQLEUOGIXKHI-GUDVDZBRSA-N 2 0 345.531 2.348 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103049747 1302129629 /nfs/dbraw/zinc/12/96/29/1302129629.db2.gz CKNHYGZWOOTDDN-ZACQAIPSSA-N 2 0 327.488 2.317 20 30 EEEDRP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740841 1303829958 /nfs/dbraw/zinc/82/99/58/1303829958.db2.gz QLQAWBDUIFBUNB-NSHGMRRFSA-N 2 0 349.519 2.033 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112193389 1304314885 /nfs/dbraw/zinc/31/48/85/1304314885.db2.gz XZAXLQAQXDNTSG-ZIAGYGMSSA-N 2 0 345.409 2.027 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194091 1304315617 /nfs/dbraw/zinc/31/56/17/1304315617.db2.gz LQHJUIDBEJSSLM-RRFJBIMHSA-N 2 0 347.425 2.273 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213126 1304340018 /nfs/dbraw/zinc/34/00/18/1304340018.db2.gz GAOYZWAMIVLNBR-KFWWJZLASA-N 2 0 347.425 2.416 20 30 EEEDRP C=CCc1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)c1O ZINC001236038107 1305480198 /nfs/dbraw/zinc/48/01/98/1305480198.db2.gz FWYHTLUPBXRJBC-YLJYHZDGSA-N 2 0 344.455 2.095 20 30 EEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCCCC1 ZINC001115691467 1305622081 /nfs/dbraw/zinc/62/20/81/1305622081.db2.gz YZYNLUDRWYXHGL-QGZVFWFLSA-N 2 0 337.508 2.080 20 30 EEEDRP C=CC[NH2+]C1(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)CCCCC1 ZINC001115735217 1305692784 /nfs/dbraw/zinc/69/27/84/1305692784.db2.gz RIILTFCFFSQUSN-QGZVFWFLSA-N 2 0 337.508 2.082 20 30 EEEDRP C=C[C@@](C)(O)C[NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1 ZINC001246011830 1310210080 /nfs/dbraw/zinc/21/00/80/1310210080.db2.gz KATHWXCMSCZCMH-FUHWJXTLSA-N 2 0 336.501 2.471 20 30 EEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOc2ccc(C#N)cc2)CC1 ZINC000832545370 1314684198 /nfs/dbraw/zinc/68/41/98/1314684198.db2.gz TWNWGPVJPTXJHW-UHFFFAOYSA-N 2 0 344.503 2.333 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841288144 1315522041 /nfs/dbraw/zinc/52/20/41/1315522041.db2.gz SEHLYACGEVCABJ-UHFFFAOYSA-N 2 0 332.448 2.186 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001203122576 1315666110 /nfs/dbraw/zinc/66/61/10/1315666110.db2.gz GVGSDOQARJTTPB-ZWKOTPCHSA-N 2 0 336.439 2.297 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151308716 1316501505 /nfs/dbraw/zinc/50/15/05/1316501505.db2.gz SPTAYZKACVWBFQ-KRWDZBQOSA-N 2 0 339.524 2.280 20 30 EEEDRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CC#Cc1ccccc1 ZINC001153314922 1316809968 /nfs/dbraw/zinc/80/99/68/1316809968.db2.gz UAAHRODOPLBWTK-UHFFFAOYSA-N 2 0 327.472 2.010 20 30 EEEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252553492 1317635318 /nfs/dbraw/zinc/63/53/18/1317635318.db2.gz YFERKKFCDKKLKV-HKBOAZHASA-N 2 0 348.531 2.384 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC001157837713 1318898998 /nfs/dbraw/zinc/89/89/98/1318898998.db2.gz XBKPQIPSBSONMX-UHFFFAOYSA-N 2 0 333.867 2.070 20 30 EEEDRP C[NH+]1CCC(N(c2ncc(Cl)cc2C#N)C2CC[NH2+]CC2)CC1 ZINC001158588671 1319323974 /nfs/dbraw/zinc/32/39/74/1319323974.db2.gz BRRDKCWMTMFVJF-UHFFFAOYSA-N 2 0 333.867 2.259 20 30 EEEDRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)CCC1 ZINC001159854166 1320005332 /nfs/dbraw/zinc/00/53/32/1320005332.db2.gz KWRSYDPHGJCYPN-UHFFFAOYSA-N 2 0 347.890 2.272 20 30 EEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155472 1320085643 /nfs/dbraw/zinc/08/56/43/1320085643.db2.gz HFSHZTXMNQKGEF-LJQANCHMSA-N 2 0 331.504 2.433 20 30 EEEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866371 1320295866 /nfs/dbraw/zinc/29/58/66/1320295866.db2.gz BFAHPEKRAFRDGR-UONOGXRCSA-N 2 0 344.297 2.008 20 30 EEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)(COC)CC1 ZINC001162481571 1320870712 /nfs/dbraw/zinc/87/07/12/1320870712.db2.gz AJHBDNFUTLZEMA-KRWDZBQOSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001162851428 1320974182 /nfs/dbraw/zinc/97/41/82/1320974182.db2.gz UVWVCSFPTXKPKJ-UHFFFAOYSA-N 2 0 329.488 2.011 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1)CC(C)(C)C ZINC001166744148 1321779413 /nfs/dbraw/zinc/77/94/13/1321779413.db2.gz JZTRDCULMSDVOF-UHFFFAOYSA-N 2 0 329.488 2.112 20 30 EEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166843743 1321798876 /nfs/dbraw/zinc/79/88/76/1321798876.db2.gz WHXBOGBQFKBZIV-GJZGRUSLSA-N 2 0 327.900 2.345 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588450 1321917835 /nfs/dbraw/zinc/91/78/35/1321917835.db2.gz NLRJSMPMQCPUAC-RTBURBONSA-N 2 0 343.515 2.149 20 30 EEEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001265459629 1323167114 /nfs/dbraw/zinc/16/71/14/1323167114.db2.gz GUKCGESKYASFLW-SFHVURJKSA-N 2 0 347.890 2.222 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001205759688 1323288558 /nfs/dbraw/zinc/28/85/58/1323288558.db2.gz VKJFYRTYXKVZKK-UHFFFAOYSA-N 2 0 341.499 2.256 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001208340804 1324436520 /nfs/dbraw/zinc/43/65/20/1324436520.db2.gz QJIZCJYKEVGFMR-LJQANCHMSA-N 2 0 339.483 2.103 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001210812365 1325447140 /nfs/dbraw/zinc/44/71/40/1325447140.db2.gz YRCVLSDKVSZGPZ-QGZVFWFLSA-N 2 0 346.450 2.120 20 30 EEEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001343721259 1372960464 /nfs/dbraw/zinc/96/04/64/1372960464.db2.gz FJBQUSNZVFVLML-GBESFXJTSA-N 2 0 327.472 2.403 20 30 EEEDRP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001367695798 1374236412 /nfs/dbraw/zinc/23/64/12/1374236412.db2.gz STMSVOLANWGMMG-OAHLLOKOSA-N 2 0 330.476 2.130 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001370960173 1375166936 /nfs/dbraw/zinc/16/69/36/1375166936.db2.gz IIHXYWLFTKFGGJ-LJQANCHMSA-N 2 0 342.487 2.371 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001374384706 1376755619 /nfs/dbraw/zinc/75/56/19/1376755619.db2.gz NNMGMKAGCNAYJC-YOEHRIQHSA-N 2 0 348.516 2.288 20 30 EEEDRP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001374434406 1376811189 /nfs/dbraw/zinc/81/11/89/1376811189.db2.gz TUSMSDXCOMKKCU-RBUKOAKNSA-N 2 0 344.503 2.375 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001378991582 1380359591 /nfs/dbraw/zinc/35/95/91/1380359591.db2.gz SRXNGFHOQPWAHN-ROUUACIJSA-N 2 0 330.476 2.129 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895164 1389692688 /nfs/dbraw/zinc/69/26/88/1389692688.db2.gz QHCRPONMODYBAN-QFBILLFUSA-N 2 0 342.487 2.275 20 30 EEEDRP C=C(Br)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001392251543 1389927422 /nfs/dbraw/zinc/92/74/22/1389927422.db2.gz VHNZFKKFONWKEY-ZIAGYGMSSA-N 2 0 348.329 2.212 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001394717055 1390744436 /nfs/dbraw/zinc/74/44/36/1390744436.db2.gz RXFLSVDTQGZULO-KBPBESRZSA-N 2 0 346.313 2.111 20 30 EEEDRP C#CCC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001752850093 1406484893 /nfs/dbraw/zinc/48/48/93/1406484893.db2.gz KGOYQDGJURGJRN-UHFFFAOYSA-N 2 0 333.501 2.464 20 30 EEEDRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001752897169 1406526464 /nfs/dbraw/zinc/52/64/64/1406526464.db2.gz UMPAEVZMGXWDBK-HNNXBMFYSA-N 2 0 335.879 2.128 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001402066423 1397743718 /nfs/dbraw/zinc/74/37/18/1397743718.db2.gz RGDRTXWHHBTGFL-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755026428 1407048949 /nfs/dbraw/zinc/04/89/49/1407048949.db2.gz PHZFXEAWUDDNCA-GOSISDBHSA-N 2 0 333.520 2.493 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423327598 1400525518 /nfs/dbraw/zinc/52/55/18/1400525518.db2.gz PONFSBSXWNOXCF-XJKSGUPXSA-N 2 0 346.500 2.041 20 30 EEEDRP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753232635 1405828397 /nfs/dbraw/zinc/82/83/97/1405828397.db2.gz DPQBMUFMUHAUIU-UHFFFAOYSA-N 2 0 330.476 2.084 20 30 EEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001755706985 1407759304 /nfs/dbraw/zinc/75/93/04/1407759304.db2.gz CNOFMWBBCOUSTL-VAMGGRTRSA-N 2 0 345.531 2.347 20 30 EEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755852303 1407905448 /nfs/dbraw/zinc/90/54/48/1407905448.db2.gz RJNHQFFOFUMUNY-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001755852546 1407905121 /nfs/dbraw/zinc/90/51/21/1407905121.db2.gz VTKAFRVZBZYDEW-ZIAGYGMSSA-N 2 0 335.414 2.273 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](F)CC)[C@@H]2CC)CC1 ZINC001087840377 782349810 /nfs/dbraw/zinc/34/98/10/782349810.db2.gz VMEUNFBGZUMDNB-FGTMMUONSA-N 2 0 337.483 2.049 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001111753982 757452481 /nfs/dbraw/zinc/45/24/81/757452481.db2.gz GPEBRQDFZGVSQB-GJYPPUQNSA-N 2 0 328.460 2.001 20 30 EEEDRP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001083215034 759539507 /nfs/dbraw/zinc/53/95/07/759539507.db2.gz FCTHVPKFOPTTOJ-CEXWTWQISA-N 2 0 349.519 2.129 20 30 EEEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203203654 759715160 /nfs/dbraw/zinc/71/51/60/759715160.db2.gz QWHITKVHYJOSDN-SJORKVTESA-N 2 0 331.504 2.149 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c(n3)CCCC4)C[C@@H]2C1 ZINC001087972982 782671773 /nfs/dbraw/zinc/67/17/73/782671773.db2.gz DVTXAMCGDICMAA-SJORKVTESA-N 2 0 342.487 2.118 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCC=C)C2)CC1 ZINC001105062324 768977438 /nfs/dbraw/zinc/97/74/38/768977438.db2.gz LYNZXMVOXUAIKR-UYAOXDASSA-N 2 0 345.531 2.372 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089423666 769000238 /nfs/dbraw/zinc/00/02/38/769000238.db2.gz MPXXXKNTPDIFCX-MRXNPFEDSA-N 2 0 338.455 2.496 20 30 EEEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488897 769768726 /nfs/dbraw/zinc/76/87/26/769768726.db2.gz ZULNAEOIADGCSM-KRWDZBQOSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675506 770095346 /nfs/dbraw/zinc/09/53/46/770095346.db2.gz SMIOMORNJHYYFB-XUVXKRRUSA-N 2 0 341.499 2.324 20 30 EEEDRP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC000979715798 770939133 /nfs/dbraw/zinc/93/91/33/770939133.db2.gz RXSKNNYOTVBTOA-IPMKNSEASA-N 2 0 345.531 2.491 20 30 EEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089643865 773674405 /nfs/dbraw/zinc/67/44/05/773674405.db2.gz CMJHNPAKPGKGFP-FGTMMUONSA-N 2 0 333.520 2.347 20 30 EEEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181574 774015669 /nfs/dbraw/zinc/01/56/69/774015669.db2.gz FAYMQCJHRIXKFS-XUVXKRRUSA-N 2 0 339.483 2.212 20 30 EEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211695182 774525932 /nfs/dbraw/zinc/52/59/32/774525932.db2.gz OXTLAZFNVTXWSD-RBUKOAKNSA-N 2 0 329.488 2.489 20 30 EEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779437 783190604 /nfs/dbraw/zinc/19/06/04/783190604.db2.gz ORPCXVSFLZEHRH-YRXWBPOGSA-N 2 0 333.520 2.321 20 30 EEEDRP C=CC[N@H+]1CC[C@@]2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531805 790358193 /nfs/dbraw/zinc/35/81/93/790358193.db2.gz IXONNERSDGYOLS-PXNSSMCTSA-N 2 0 343.471 2.209 20 30 EEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851582 778034128 /nfs/dbraw/zinc/03/41/28/778034128.db2.gz WWWSGCVLIQBYIJ-MANSERQUSA-N 2 0 331.504 2.073 20 30 EEEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799138 778223128 /nfs/dbraw/zinc/22/31/28/778223128.db2.gz RGZUMCYFNMCSSE-UHFFFAOYSA-N 2 0 345.512 2.371 20 30 EEEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007292 778849152 /nfs/dbraw/zinc/84/91/52/778849152.db2.gz YQVGLBQCDMGEKF-UXHICEINSA-N 2 0 341.499 2.442 20 30 EEEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](CC(C)C)CC1 ZINC000261649395 779645916 /nfs/dbraw/zinc/64/59/16/779645916.db2.gz MHNDHEAIVKRZBQ-RCCFBDPRSA-N 2 0 348.535 2.229 20 30 EEEDRP C[C@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCC[NH+](C)C ZINC001135314494 783596446 /nfs/dbraw/zinc/59/64/46/783596446.db2.gz BTHAYFHLZCMTOO-LSDHHAIUSA-N 2 0 348.466 2.412 20 30 EEEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1ccnc1CC)CC2 ZINC001035186792 784064148 /nfs/dbraw/zinc/06/41/48/784064148.db2.gz JHYQJLORCODJTQ-KRWDZBQOSA-N 2 0 342.487 2.344 20 30 EEEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035255906 784263008 /nfs/dbraw/zinc/26/30/08/784263008.db2.gz BJDVEGPYEPRBGP-UHFFFAOYSA-N 2 0 331.504 2.200 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135743984 784352614 /nfs/dbraw/zinc/35/26/14/784352614.db2.gz SPEQWUKKAKGLJF-IAGOWNOFSA-N 2 0 347.478 2.392 20 30 EEEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135743601 784352934 /nfs/dbraw/zinc/35/29/34/784352934.db2.gz MTJKEQXQTGEWNU-HUUCEWRRSA-N 2 0 348.466 2.412 20 30 EEEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135860818 784649672 /nfs/dbraw/zinc/64/96/72/784649672.db2.gz HYODXRBGQZRYMS-CVEARBPZSA-N 2 0 330.476 2.273 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1C#N ZINC001135938898 784830200 /nfs/dbraw/zinc/83/02/00/784830200.db2.gz QEFAUHLSNNBOIH-CVEARBPZSA-N 2 0 340.471 2.027 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001105698213 785144071 /nfs/dbraw/zinc/14/40/71/785144071.db2.gz GPSJORWDTXJIRS-QFBILLFUSA-N 2 0 349.519 2.127 20 30 EEEDRP N#Cc1ccc([C@@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000819206466 785456644 /nfs/dbraw/zinc/45/66/44/785456644.db2.gz VANMZIIKXNRKNG-FQEVSTJZSA-N 2 0 336.439 2.493 20 30 EEEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CCCOCC)C1 ZINC000912499117 788210980 /nfs/dbraw/zinc/21/09/80/788210980.db2.gz LCRMRTMCTOKQLN-INIZCTEOSA-N 2 0 326.529 2.479 20 30 EEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001091033062 789495999 /nfs/dbraw/zinc/49/59/99/789495999.db2.gz XMOBAQVQQVUMRQ-AQEOSJORSA-N 2 0 342.487 2.214 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902787 789586321 /nfs/dbraw/zinc/58/63/21/789586321.db2.gz ZASIIOLFHLOVLE-QGFMHUBQSA-N 2 0 331.504 2.053 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146339154 791174097 /nfs/dbraw/zinc/17/40/97/791174097.db2.gz JYJYQCWMDWJRMF-HOTGVXAUSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001146338485 791182650 /nfs/dbraw/zinc/18/26/50/791182650.db2.gz GTVFEZVFISDBOU-IAGOWNOFSA-N 2 0 345.462 2.146 20 30 EEEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001146340151 791211840 /nfs/dbraw/zinc/21/18/40/791211840.db2.gz OUSKIBHRLLSAKS-CVEARBPZSA-N 2 0 328.460 2.027 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001146341423 791214092 /nfs/dbraw/zinc/21/40/92/791214092.db2.gz YBSMPOCBXRQFTL-GJZGRUSLSA-N 2 0 346.450 2.166 20 30 EEEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591914 791360932 /nfs/dbraw/zinc/36/09/32/791360932.db2.gz IGGYIWHIYFLMLF-JKSUJKDBSA-N 2 0 330.476 2.271 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684809 792224473 /nfs/dbraw/zinc/22/44/73/792224473.db2.gz RMWBCAGDCIGDPL-HLIPFELVSA-N 2 0 342.487 2.200 20 30 EEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086939433 793027096 /nfs/dbraw/zinc/02/70/96/793027096.db2.gz QEGHMHOSDKDBDW-KRWDZBQOSA-N 2 0 331.504 2.055 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300481 793776604 /nfs/dbraw/zinc/77/66/04/793776604.db2.gz XEOGDCHPYUTFIZ-NQIIRXRSSA-N 2 0 339.483 2.165 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC001036783311 794984148 /nfs/dbraw/zinc/98/41/48/794984148.db2.gz XYSZCHLOKSGSDL-HKUYNNGSSA-N 2 0 334.423 2.042 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001106288973 795346728 /nfs/dbraw/zinc/34/67/28/795346728.db2.gz VOAHZRVPBXFDPI-KURKYZTESA-N 2 0 330.476 2.178 20 30 EEEDRP C=CCN1CCC([NH2+]Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC000921703404 795496128 /nfs/dbraw/zinc/49/61/28/795496128.db2.gz VNWQEQKOHWZAGF-OAHLLOKOSA-N 2 0 332.444 2.367 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC001106491966 795707036 /nfs/dbraw/zinc/70/70/36/795707036.db2.gz ZYJGZAFVNWYSGR-SJLPKXTDSA-N 2 0 336.439 2.193 20 30 EEEDRP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001098846835 795950773 /nfs/dbraw/zinc/95/07/73/795950773.db2.gz VMRJPYIDMRWEFG-CUSZFKRNSA-N 2 0 339.911 2.440 20 30 EEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC001172303340 796949702 /nfs/dbraw/zinc/94/97/02/796949702.db2.gz XAGJVXAXJNUPBF-RRQGHBQHSA-N 2 0 344.459 2.025 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742513 797675391 /nfs/dbraw/zinc/67/53/91/797675391.db2.gz IIKLLWBATQXPQN-MRRJBJDNSA-N 2 0 345.890 2.388 20 30 EEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161069 798374569 /nfs/dbraw/zinc/37/45/69/798374569.db2.gz MYAQYUQEUVWNIJ-KRWDZBQOSA-N 2 0 327.513 2.021 20 30 EEEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001176573272 798502163 /nfs/dbraw/zinc/50/21/63/798502163.db2.gz KSPDZYBWZZLYCE-LJQANCHMSA-N 2 0 341.499 2.399 20 30 EEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176844552 798580274 /nfs/dbraw/zinc/58/02/74/798580274.db2.gz KVJLHCWGMOSWPU-IAGOWNOFSA-N 2 0 345.462 2.146 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001176997027 798685850 /nfs/dbraw/zinc/68/58/50/798685850.db2.gz FZDGTMHBZATQQA-QGZVFWFLSA-N 2 0 348.516 2.336 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001180260072 800337271 /nfs/dbraw/zinc/33/72/71/800337271.db2.gz SDRDSJKVBWHJDL-LJQANCHMSA-N 2 0 342.487 2.276 20 30 EEEDRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001180260280 800337333 /nfs/dbraw/zinc/33/73/33/800337333.db2.gz WEMNBYHZQJPAFW-LJQANCHMSA-N 2 0 342.487 2.276 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181727698 800881999 /nfs/dbraw/zinc/88/19/99/800881999.db2.gz CAPLUPFNRDAQQI-CZUORRHYSA-N 2 0 327.900 2.297 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181930532 800963028 /nfs/dbraw/zinc/96/30/28/800963028.db2.gz CVQLTTCFAKVUIB-UKPHBRMFSA-N 2 0 327.900 2.297 20 30 EEEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]Cc1cccc(C#N)c1 ZINC001182486076 801225299 /nfs/dbraw/zinc/22/52/99/801225299.db2.gz JHIHPGZNIQNACV-OXQOHEQNSA-N 2 0 342.487 2.084 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001004202304 801255048 /nfs/dbraw/zinc/25/50/48/801255048.db2.gz YTXUMUVGHHRNJY-UHFFFAOYSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC3CCC3)C2)CC1 ZINC001183496655 801630152 /nfs/dbraw/zinc/63/01/52/801630152.db2.gz MMINSETULCJVNS-DYESRHJHSA-N 2 0 345.531 2.206 20 30 EEEDRP C[NH+]1CCC(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001184742653 802170652 /nfs/dbraw/zinc/17/06/52/802170652.db2.gz KOUOSNXMNFGPGM-UHFFFAOYSA-N 2 0 341.459 2.050 20 30 EEEDRP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642392 802550675 /nfs/dbraw/zinc/55/06/75/802550675.db2.gz HWZIXDMUEVIKGW-OWCLPIDISA-N 2 0 327.900 2.250 20 30 EEEDRP C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC001098437475 802956298 /nfs/dbraw/zinc/95/62/98/802956298.db2.gz YUEXJKLTWULNKL-UHFFFAOYSA-N 2 0 345.487 2.482 20 30 EEEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399457 805410361 /nfs/dbraw/zinc/41/03/61/805410361.db2.gz KPXLMMWDKXDYPI-YRXWBPOGSA-N 2 0 349.519 2.173 20 30 EEEDRP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430087 810848213 /nfs/dbraw/zinc/84/82/13/810848213.db2.gz OQZPWANRDSMXCS-HXUWFJFHSA-N 2 0 339.483 2.151 20 30 EEEDRP C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430537 811629736 /nfs/dbraw/zinc/62/97/36/811629736.db2.gz CBABBBMLTKVXOL-INIZCTEOSA-N 2 0 347.507 2.123 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001439819973 1092805332 /nfs/dbraw/zinc/80/53/32/1092805332.db2.gz NBZFTGIENLEAMV-OAHLLOKOSA-N 2 0 327.900 2.488 20 30 EEEDRP C[C@H](CNC(=O)CCCn1ccnc1)N(C)Cc1ccc(C#N)s1 ZINC001441022511 1094307241 /nfs/dbraw/zinc/30/72/41/1094307241.db2.gz IJOXHPMDQNNVEY-CQSZACIVSA-N 2 0 345.472 2.233 20 30 EEEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC001444533391 1099303680 /nfs/dbraw/zinc/30/36/80/1099303680.db2.gz KWYFCSBOEVGALO-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CN(CCC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001447352823 1102507372 /nfs/dbraw/zinc/50/73/72/1102507372.db2.gz YKOADTHWCJLXOS-UHFFFAOYSA-N 2 0 342.487 2.180 20 30 EEEDRP CN(C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)C1(C#N)CCCCC1 ZINC000328884159 465156176 /nfs/dbraw/zinc/15/61/76/465156176.db2.gz YKJOGTHCSGFLQM-GOSISDBHSA-N 2 0 332.492 2.089 20 30 EEEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000066243451 462866591 /nfs/dbraw/zinc/86/65/91/462866591.db2.gz ZSMWZTRFTNOFMI-IYBDPMFKSA-N 2 0 332.492 2.215 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000170905731 463738342 /nfs/dbraw/zinc/73/83/42/463738342.db2.gz NSEKWGCEUHLAAF-SFHVURJKSA-N 2 0 329.492 2.175 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)cn1 ZINC000185591520 463847179 /nfs/dbraw/zinc/84/71/79/463847179.db2.gz LDBLOICCRXBNAR-KRWDZBQOSA-N 2 0 338.459 2.032 20 30 EEEDRP [NH2+]=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cccc2c1CCCC2 ZINC000178421705 463897567 /nfs/dbraw/zinc/89/75/67/463897567.db2.gz UWMUVPMARRZTTB-MRXNPFEDSA-N 2 0 330.476 2.139 20 30 EEEDRP C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262487093 464030603 /nfs/dbraw/zinc/03/06/03/464030603.db2.gz STSHCSDDJYRGMB-SJORKVTESA-N 2 0 347.507 2.018 20 30 EEEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288765980 464058215 /nfs/dbraw/zinc/05/82/15/464058215.db2.gz TWCLESPUSQIIGV-UHFFFAOYSA-N 2 0 339.434 2.109 20 30 EEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000263798772 464197072 /nfs/dbraw/zinc/19/70/72/464197072.db2.gz ZZCXCRCCISCPSL-ROUUACIJSA-N 2 0 349.519 2.008 20 30 EEEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000264104166 464283594 /nfs/dbraw/zinc/28/35/94/464283594.db2.gz NHGMTKBOVIWJAK-MRXNPFEDSA-N 2 0 348.491 2.229 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264105562 464283760 /nfs/dbraw/zinc/28/37/60/464283760.db2.gz PJTCECYRKSUEEI-KRWDZBQOSA-N 2 0 331.508 2.292 20 30 EEEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264130725 464286769 /nfs/dbraw/zinc/28/67/69/464286769.db2.gz XZETZDQTRQEMKE-SFHVURJKSA-N 2 0 345.535 2.287 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)nc1 ZINC000272210529 464519786 /nfs/dbraw/zinc/51/97/86/464519786.db2.gz NZAKPGWIHWYOEA-HNNXBMFYSA-N 2 0 333.480 2.148 20 30 EEEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC1CCCCCC1 ZINC000272734629 464686393 /nfs/dbraw/zinc/68/63/93/464686393.db2.gz BCLIPLKYPMRGDS-LJQANCHMSA-N 2 0 344.503 2.380 20 30 EEEDRP C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C[C@H](C)O1 ZINC000273363184 464713737 /nfs/dbraw/zinc/71/37/37/464713737.db2.gz TXUNCILYMGQXLA-GJZGRUSLSA-N 2 0 330.476 2.205 20 30 EEEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NCC(C)C)cc2F)CC1 ZINC000267398113 464930818 /nfs/dbraw/zinc/93/08/18/464930818.db2.gz FJFRZRGXVTUZMF-UHFFFAOYSA-N 2 0 335.471 2.028 20 30 EEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2c(cccc2C)o1 ZINC000267464643 464933716 /nfs/dbraw/zinc/93/37/16/464933716.db2.gz WCGZMLVASSDVOU-CQSZACIVSA-N 2 0 329.448 2.067 20 30 EEEDRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918983 468433721 /nfs/dbraw/zinc/43/37/21/468433721.db2.gz NNHNMSLDXUJQIT-IBGZPJMESA-N 2 0 328.460 2.156 20 30 EEEDRP CC(C)(CCC#N)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000344215587 465597137 /nfs/dbraw/zinc/59/71/37/465597137.db2.gz PNHOEXILSQMSEX-UHFFFAOYSA-N 2 0 344.507 2.298 20 30 EEEDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380211 466732960 /nfs/dbraw/zinc/73/29/60/466732960.db2.gz HCGGSUZKQXLOAZ-DOMZBBRYSA-N 2 0 326.366 2.045 20 30 EEEDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388477 466735695 /nfs/dbraw/zinc/73/56/95/466735695.db2.gz MTJYXPFQLRJJFZ-SWLSCSKDSA-N 2 0 326.366 2.045 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417541428 466879931 /nfs/dbraw/zinc/87/99/31/466879931.db2.gz RHKYSKKMPLVKPA-SFHVURJKSA-N 2 0 348.535 2.447 20 30 EEEDRP C=CCc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000414784518 467436076 /nfs/dbraw/zinc/43/60/76/467436076.db2.gz IKGXBRIBRWQFMX-XLIONFOSSA-N 2 0 346.471 2.458 20 30 EEEDRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511856 468990938 /nfs/dbraw/zinc/99/09/38/468990938.db2.gz QKPWZMDGMDITLL-IBGZPJMESA-N 2 0 345.487 2.299 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000153093696 526922528 /nfs/dbraw/zinc/92/25/28/526922528.db2.gz PTAHXWTZVWMSEK-UHFFFAOYSA-N 2 0 341.499 2.358 20 30 EEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000730271117 577013828 /nfs/dbraw/zinc/01/38/28/577013828.db2.gz LCPCDBLWIRNLHL-IRXDYDNUSA-N 2 0 333.863 2.157 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C)C2)CC1 ZINC000970792786 676154176 /nfs/dbraw/zinc/15/41/76/676154176.db2.gz VVISAYLLNNDREJ-HXUWFJFHSA-N 2 0 339.483 2.031 20 30 EEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021091096 675716830 /nfs/dbraw/zinc/71/68/30/675716830.db2.gz RROWFXATDLQRGK-BIQWYFBQSA-N 2 0 346.500 2.229 20 30 EEEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022071420 676637796 /nfs/dbraw/zinc/63/77/96/676637796.db2.gz PKQFBASZYLGLHH-OTWHNJEPSA-N 2 0 340.471 2.168 20 30 EEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000891520786 676684049 /nfs/dbraw/zinc/68/40/49/676684049.db2.gz QBISBWMCUGYQFN-UHFFFAOYSA-N 2 0 342.487 2.172 20 30 EEEDRP C#CCN1CCC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000889016065 678622413 /nfs/dbraw/zinc/62/24/13/678622413.db2.gz PHAYESRRERGMKG-YTQUADARSA-N 2 0 342.487 2.075 20 30 EEEDRP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972419160 678714290 /nfs/dbraw/zinc/71/42/90/678714290.db2.gz BOXLPZFRSALPNW-UYAOXDASSA-N 2 0 349.519 2.130 20 30 EEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414696 679298246 /nfs/dbraw/zinc/29/82/46/679298246.db2.gz YSBBDHVRRJGLAP-HKUYNNGSSA-N 2 0 331.504 2.245 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646041 679447287 /nfs/dbraw/zinc/44/72/87/679447287.db2.gz HGHLRMILNXFWKT-GOSISDBHSA-N 2 0 327.472 2.213 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001023762028 679568771 /nfs/dbraw/zinc/56/87/71/679568771.db2.gz PFQDIRXNRPZLRH-ZWKOTPCHSA-N 2 0 333.520 2.206 20 30 EEEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)NC[C@H]1CCCS1 ZINC000262000304 682773526 /nfs/dbraw/zinc/77/35/26/682773526.db2.gz UDVVGMIBNYWGOE-OAHLLOKOSA-N 2 0 344.488 2.136 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451521 682785894 /nfs/dbraw/zinc/78/58/94/682785894.db2.gz HRHSLUNXAUAINL-ROUUACIJSA-N 2 0 331.504 2.102 20 30 EEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590773 683051140 /nfs/dbraw/zinc/05/11/40/683051140.db2.gz RMPXSRWIMPAWPW-XLIONFOSSA-N 2 0 345.531 2.348 20 30 EEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000992729919 683316464 /nfs/dbraw/zinc/31/64/64/683316464.db2.gz PJVMAYPUJPLLON-KZNAEPCWSA-N 2 0 331.504 2.265 20 30 EEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647027 693746804 /nfs/dbraw/zinc/74/68/04/693746804.db2.gz KPTZARIDCLZDMG-QUCCMNQESA-N 2 0 327.472 2.019 20 30 EEEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001026560606 684741132 /nfs/dbraw/zinc/74/11/32/684741132.db2.gz YCZPYAAVLQUSAQ-UHFFFAOYSA-N 2 0 327.472 2.055 20 30 EEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262360218 685653343 /nfs/dbraw/zinc/65/33/43/685653343.db2.gz GQAJXSFDDLDEEF-RCCFBDPRSA-N 2 0 348.535 2.396 20 30 EEEDRP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000986352104 688524570 /nfs/dbraw/zinc/52/45/70/688524570.db2.gz FTNOZZPBICCPFK-SUMWQHHRSA-N 2 0 346.500 2.183 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326263 692490541 /nfs/dbraw/zinc/49/05/41/692490541.db2.gz CNANNAFVNHWXIH-GOSISDBHSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)C3)CC2(C)C)CC1 ZINC000977650695 692879436 /nfs/dbraw/zinc/87/94/36/692879436.db2.gz FDSHVKJKPXZTSD-FAFZWHIHSA-N 2 0 345.531 2.204 20 30 EEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089381 1193362437 /nfs/dbraw/zinc/36/24/37/1193362437.db2.gz GYOSSMLIILIIGR-LPHOPBHVSA-N 2 0 327.472 2.212 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)C[C@@H]2C)CC1 ZINC000945181446 1193415763 /nfs/dbraw/zinc/41/57/63/1193415763.db2.gz NFXRLEOGSLTMIM-HKUYNNGSSA-N 2 0 331.504 2.124 20 30 EEEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001105429364 1187057638 /nfs/dbraw/zinc/05/76/38/1187057638.db2.gz XFEJAJPVOMSJAF-GGPKGHCWSA-N 2 0 329.488 2.319 20 30 EEEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001105446157 1187195195 /nfs/dbraw/zinc/19/51/95/1187195195.db2.gz FVLQEEOIQSBZBJ-TYKWCNGQSA-N 2 0 341.499 2.465 20 30 EEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105559172 1188175693 /nfs/dbraw/zinc/17/56/93/1188175693.db2.gz LYILQWGWSGLGSO-GOSISDBHSA-N 2 0 345.531 2.493 20 30 EEEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818030 1194440750 /nfs/dbraw/zinc/44/07/50/1194440750.db2.gz AZTYANJDZHREPB-WCIQWLHISA-N 2 0 343.515 2.197 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001034003559 1195645604 /nfs/dbraw/zinc/64/56/04/1195645604.db2.gz DVBIDZUVYKAWGU-KRWDZBQOSA-N 2 0 339.443 2.380 20 30 EEEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034139584 1195812951 /nfs/dbraw/zinc/81/29/51/1195812951.db2.gz UUMIJYGZLUMCMX-RBUKOAKNSA-N 2 0 340.471 2.123 20 30 EEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034396325 1196186586 /nfs/dbraw/zinc/18/65/86/1196186586.db2.gz DUSXRCHNWPRIQK-VQIMIIECSA-N 2 0 337.483 2.193 20 30 EEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413399 1196210674 /nfs/dbraw/zinc/21/06/74/1196210674.db2.gz IBKLXPHTZDCTNA-AQNXPRMDSA-N 2 0 341.499 2.489 20 30 EEEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001034973076 1196930208 /nfs/dbraw/zinc/93/02/08/1196930208.db2.gz LESOKZQZAFLMKL-MOPGFXCFSA-N 2 0 340.471 2.123 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584802 1199673278 /nfs/dbraw/zinc/67/32/78/1199673278.db2.gz XITHXFPSSBSRPD-OLZOCXBDSA-N 2 0 346.313 2.252 20 30 EEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(OCC#N)cc1 ZINC001137120397 1199940574 /nfs/dbraw/zinc/94/05/74/1199940574.db2.gz JUFXTBLLLHLHRC-UHFFFAOYSA-N 2 0 332.492 2.294 20 30 EEEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001132737788 1199965378 /nfs/dbraw/zinc/96/53/78/1199965378.db2.gz QBIAYKSUNFMFTC-MRXNPFEDSA-N 2 0 346.450 2.025 20 30 EEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165443 1200539057 /nfs/dbraw/zinc/53/90/57/1200539057.db2.gz GYESNSDAXGNRTK-FXAWDEMLSA-N 2 0 341.499 2.459 20 30 EEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884213416 1202265417 /nfs/dbraw/zinc/26/54/17/1202265417.db2.gz APZNPYDAAFABES-KRWDZBQOSA-N 2 0 327.428 2.069 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947537138 1208611015 /nfs/dbraw/zinc/61/10/15/1208611015.db2.gz LMZQQXVGOZNHOT-CVEARBPZSA-N 2 0 339.443 2.426 20 30 EEEDRP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC000948039697 1208835564 /nfs/dbraw/zinc/83/55/64/1208835564.db2.gz JWHOXYZXDVDANX-LPHOPBHVSA-N 2 0 340.471 2.123 20 30 EEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000948432438 1209135352 /nfs/dbraw/zinc/13/53/52/1209135352.db2.gz GWYITFHVAICDHP-HKUYNNGSSA-N 2 0 349.519 2.129 20 30 EEEDRP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000949358169 1209648785 /nfs/dbraw/zinc/64/87/85/1209648785.db2.gz FVWJZQZVJRIDFX-SFHVURJKSA-N 2 0 349.519 2.129 20 30 EEEDRP C=CCC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529367 1209729413 /nfs/dbraw/zinc/72/94/13/1209729413.db2.gz QNBBBEZVXKDCMJ-HDICACEKSA-N 2 0 349.519 2.129 20 30 EEEDRP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000303778915 1213904994 /nfs/dbraw/zinc/90/49/94/1213904994.db2.gz KCBSIQYKOGLOMA-OALUTQOASA-N 3 0 345.535 2.458 20 30 EEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303793035 1213906101 /nfs/dbraw/zinc/90/61/01/1213906101.db2.gz YVVAVDSCTJXGKV-OALUTQOASA-N 3 0 343.519 2.212 20 30 EEEDRP CC(C)(C)NC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000303911308 1213923571 /nfs/dbraw/zinc/92/35/71/1213923571.db2.gz ZMYMHYPGYYWORO-UHFFFAOYSA-N 2 0 345.535 2.287 20 30 EEEDRP CC1CCN(C(=[NH2+])NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000304817390 1216108358 /nfs/dbraw/zinc/10/83/58/1216108358.db2.gz ZRIRZTBMXLAKSO-UHFFFAOYSA-N 2 0 336.524 2.316 20 30 EEEDRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000960717066 1216828698 /nfs/dbraw/zinc/82/86/98/1216828698.db2.gz KNUJSABPEAPJFQ-RBUKOAKNSA-N 2 0 342.487 2.321 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961206471 1217089249 /nfs/dbraw/zinc/08/92/49/1217089249.db2.gz DVLIUIKAYKMXEC-IRXDYDNUSA-N 2 0 336.439 2.142 20 30 EEEDRP C#CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961226619 1217097546 /nfs/dbraw/zinc/09/75/46/1217097546.db2.gz BXTLPGCCWGFIDT-RBUKOAKNSA-N 2 0 345.531 2.302 20 30 EEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000968947085 1221693953 /nfs/dbraw/zinc/69/39/53/1221693953.db2.gz LDQTXZYIYXTZCG-QGZVFWFLSA-N 2 0 339.443 2.428 20 30 EEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007894325 1222488201 /nfs/dbraw/zinc/48/82/01/1222488201.db2.gz HWYTYVSGUWPVKH-OAHLLOKOSA-N 2 0 325.416 2.038 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001016818036 1226901525 /nfs/dbraw/zinc/90/15/25/1226901525.db2.gz ABZFMKRILBBXME-KXBFYZLASA-N 2 0 337.483 2.356 20 30 EEEDRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054738387 1248968246 /nfs/dbraw/zinc/96/82/46/1248968246.db2.gz PLSGIQPBQPRTHZ-CXAGYDPISA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039143994 1230362559 /nfs/dbraw/zinc/36/25/59/1230362559.db2.gz FQWBJDNNNRAPDN-WOJBJXKFSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173473 1230398825 /nfs/dbraw/zinc/39/88/25/1230398825.db2.gz XJAFPNXOQVEHKS-SJORKVTESA-N 2 0 339.911 2.251 20 30 EEEDRP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182169 1230409427 /nfs/dbraw/zinc/40/94/27/1230409427.db2.gz KHGPJPLTWBEDLC-UXHICEINSA-N 2 0 345.531 2.445 20 30 EEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039235619 1230468782 /nfs/dbraw/zinc/46/87/82/1230468782.db2.gz QQYXWKRDFBJPRE-QZTJIDSGSA-N 2 0 342.487 2.343 20 30 EEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039255609 1230490837 /nfs/dbraw/zinc/49/08/37/1230490837.db2.gz DFEOSGSETXJVBF-PMACEKPBSA-N 2 0 345.531 2.443 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)CC1 ZINC001040542379 1231283680 /nfs/dbraw/zinc/28/36/80/1231283680.db2.gz HSDIXHRWJFDNRM-OAQYLSRUSA-N 2 0 345.531 2.302 20 30 EEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001041356632 1231518333 /nfs/dbraw/zinc/51/83/33/1231518333.db2.gz AEGRTLYGWWOWBG-VQIMIIECSA-N 2 0 328.460 2.261 20 30 EEEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001041695276 1231651064 /nfs/dbraw/zinc/65/10/64/1231651064.db2.gz AHMAMIJCSDGYHT-GPMSIDNRSA-N 2 0 328.460 2.024 20 30 EEEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723883 1231662096 /nfs/dbraw/zinc/66/20/96/1231662096.db2.gz LWFIKDGZKYXVCU-AZUAARDMSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001045205712 1233579038 /nfs/dbraw/zinc/57/90/38/1233579038.db2.gz UCJPSAAJNGDDCZ-BBRMVZONSA-N 2 0 334.489 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001046849218 1235246381 /nfs/dbraw/zinc/24/63/81/1235246381.db2.gz CPQXOCUJZPDSJO-OAQYLSRUSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001046849541 1235247201 /nfs/dbraw/zinc/24/72/01/1235247201.db2.gz GQYIUSLGXDATAN-NRFANRHFSA-N 2 0 345.531 2.493 20 30 EEEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047242900 1235731165 /nfs/dbraw/zinc/73/11/65/1235731165.db2.gz ICOGNVGSVRBGBV-RTBURBONSA-N 2 0 333.520 2.301 20 30 EEEDRP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583589 1238023541 /nfs/dbraw/zinc/02/35/41/1238023541.db2.gz MULKCAPGWNGOML-LTFPLMDUSA-N 2 0 345.531 2.489 20 30 EEEDRP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000153806 1240004187 /nfs/dbraw/zinc/00/41/87/1240004187.db2.gz LSYWEZMONVKZAN-PKOBYXMFSA-N 2 0 343.515 2.245 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195683 1240051083 /nfs/dbraw/zinc/05/10/83/1240051083.db2.gz ZHQNANXYVOYUBT-HUUCEWRRSA-N 2 0 346.500 2.185 20 30 EEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235647 1240340596 /nfs/dbraw/zinc/34/05/96/1240340596.db2.gz QJHBJZNKRLMGFM-OTWHNJEPSA-N 2 0 333.520 2.463 20 30 EEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cncc2C1 ZINC001049554919 1241395414 /nfs/dbraw/zinc/39/54/14/1241395414.db2.gz ILGWTIZUNUIBIU-QXAKKESOSA-N 2 0 342.487 2.477 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563636 1241432565 /nfs/dbraw/zinc/43/25/65/1241432565.db2.gz GGNYUXOAKDLDAG-ZWKOTPCHSA-N 2 0 331.504 2.338 20 30 EEEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786478 1242181500 /nfs/dbraw/zinc/18/15/00/1242181500.db2.gz BQTVTAJMPZQCID-MOPGFXCFSA-N 2 0 325.456 2.060 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC001001468737 1242330660 /nfs/dbraw/zinc/33/06/60/1242330660.db2.gz VRDALKWIPXKIHM-KRWDZBQOSA-N 2 0 331.504 2.126 20 30 EEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835273 1242362754 /nfs/dbraw/zinc/36/27/54/1242362754.db2.gz HERMVPDPCOXDJU-OTWHNJEPSA-N 2 0 331.504 2.340 20 30 EEEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050078927 1242796808 /nfs/dbraw/zinc/79/68/08/1242796808.db2.gz VPDATGMYJSPTRW-QFBILLFUSA-N 2 0 336.439 2.202 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050546947 1243822976 /nfs/dbraw/zinc/82/29/76/1243822976.db2.gz VHCWFEQUMXXOBI-HNNXBMFYSA-N 2 0 325.884 2.004 20 30 EEEDRP C=CCC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051307131 1245513531 /nfs/dbraw/zinc/51/35/31/1245513531.db2.gz MUJRBWGUWBPMNQ-GOSISDBHSA-N 2 0 327.472 2.189 20 30 EEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240557 1245558524 /nfs/dbraw/zinc/55/85/24/1245558524.db2.gz BHJKSGIFYWDMAS-HBFSDRIKSA-N 2 0 331.504 2.075 20 30 EEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141694 1247504288 /nfs/dbraw/zinc/50/42/88/1247504288.db2.gz NRNREIGVGYMRBV-ICSRJNTNSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142696 1247510605 /nfs/dbraw/zinc/51/06/05/1247510605.db2.gz GYZGWFKAKPZDHB-FPOVZHCZSA-N 2 0 345.531 2.302 20 30 EEEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145168 1247516726 /nfs/dbraw/zinc/51/67/26/1247516726.db2.gz LOIIQFXOZGEDGF-ICSRJNTNSA-N 2 0 331.504 2.197 20 30 EEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054245529 1247862862 /nfs/dbraw/zinc/86/28/62/1247862862.db2.gz VDWRXNJZNQVTMR-AZUAARDMSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@H+](CCC)C3)CC1 ZINC001054292399 1248032090 /nfs/dbraw/zinc/03/20/90/1248032090.db2.gz DQLQVJLFXONNGB-UHFFFAOYSA-N 2 0 339.483 2.374 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC[C@@H](C)F)C3)CC1 ZINC001099174301 1257994181 /nfs/dbraw/zinc/99/41/81/1257994181.db2.gz GVUDQAHQMZUEMP-KPFFTGBYSA-N 2 0 349.494 2.050 20 30 EEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC2(CCOCC2)C1 ZINC001099582904 1258226741 /nfs/dbraw/zinc/22/67/41/1258226741.db2.gz DULNEZQIMKPZDP-QGZVFWFLSA-N 2 0 349.519 2.034 20 30 EEEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001100829991 1259313285 /nfs/dbraw/zinc/31/32/85/1259313285.db2.gz WJTSOZQDZVNIMH-UHFFFAOYSA-N 2 0 346.450 2.024 20 30 EEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177601 1280724052 /nfs/dbraw/zinc/72/40/52/1280724052.db2.gz RBJCEXPOLNMJTM-HKUYNNGSSA-N 2 0 331.504 2.197 20 30 EEEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001191020148 1281179740 /nfs/dbraw/zinc/17/97/40/1281179740.db2.gz UYGZJKDZWCLFKT-LJQANCHMSA-N 2 0 341.499 2.301 20 30 EEEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848888 1282209241 /nfs/dbraw/zinc/20/92/41/1282209241.db2.gz YHVHCSVVNWFMTJ-IBGZPJMESA-N 2 0 345.487 2.097 20 30 EEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194410695 1283041407 /nfs/dbraw/zinc/04/14/07/1283041407.db2.gz VDMGXVYWEFOFPQ-MRXNPFEDSA-N 2 0 331.460 2.291 20 30 EEEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201318465 1289474616 /nfs/dbraw/zinc/47/46/16/1289474616.db2.gz NFDOGBDNRQMMIN-QGZVFWFLSA-N 2 0 327.513 2.116 20 30 EEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201421448 1289575752 /nfs/dbraw/zinc/57/57/52/1289575752.db2.gz UTHAVOSCWDWQMQ-QGZVFWFLSA-N 2 0 339.524 2.138 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001216842800 1297311837 /nfs/dbraw/zinc/31/18/37/1297311837.db2.gz LTIYNOFKASZSHA-VQIMIIECSA-N 2 0 333.520 2.204 20 30 EEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219047178 1297918406 /nfs/dbraw/zinc/91/84/06/1297918406.db2.gz ROBCJMKLVOZSJW-INIZCTEOSA-N 2 0 327.432 2.474 20 30 EEEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001099503516 1299172888 /nfs/dbraw/zinc/17/28/88/1299172888.db2.gz CQIVFXAVPFYKRD-VJANTYMQSA-N 2 0 343.515 2.053 20 30 EEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001101541442 1299685364 /nfs/dbraw/zinc/68/53/64/1299685364.db2.gz GBONGMIOBBLHRZ-IBGZPJMESA-N 2 0 345.531 2.206 20 30 EEEDRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC#CC[NH+](C)C ZINC001226903835 1301603344 /nfs/dbraw/zinc/60/33/44/1301603344.db2.gz YTZHEGMNXTTYOF-LJQANCHMSA-N 2 0 344.503 2.007 20 30 EEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987552 1302029827 /nfs/dbraw/zinc/02/98/27/1302029827.db2.gz HCBRVKDUMPMBQX-QZTJIDSGSA-N 2 0 333.520 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCCC)C[C@H]2C)CC1 ZINC001103752481 1303295993 /nfs/dbraw/zinc/29/59/93/1303295993.db2.gz IDJOZQYRDOBDMI-IEBWSBKVSA-N 2 0 333.520 2.206 20 30 EEEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753452 1303298036 /nfs/dbraw/zinc/29/80/36/1303298036.db2.gz JIBZFWUHOUZTSE-IAGOWNOFSA-N 2 0 327.472 2.069 20 30 EEEDRP C=CCC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230898776 1303532522 /nfs/dbraw/zinc/53/25/22/1303532522.db2.gz NTMKFQHVDIWDRH-SFHVURJKSA-N 2 0 344.503 2.308 20 30 EEEDRP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1cccnc1 ZINC001230932059 1303552049 /nfs/dbraw/zinc/55/20/49/1303552049.db2.gz NEBQDQXQMIOITD-IBGZPJMESA-N 2 0 344.503 2.450 20 30 EEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103734 1304240405 /nfs/dbraw/zinc/24/04/05/1304240405.db2.gz XYLUXXIAARJCIJ-KBUPBQIOSA-N 2 0 347.425 2.272 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115592167 1305465485 /nfs/dbraw/zinc/46/54/85/1305465485.db2.gz WYRAZAARLRTYGR-QZTJIDSGSA-N 2 0 331.504 2.435 20 30 EEEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246310484 1310278415 /nfs/dbraw/zinc/27/84/15/1310278415.db2.gz GTRWMXBHOOYQEH-SJORKVTESA-N 2 0 337.508 2.258 20 30 EEEDRP C[C@@H]1C[C@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246956506 1310477673 /nfs/dbraw/zinc/47/76/73/1310477673.db2.gz XLQBYVBDVPBBIC-RDTXWAMCSA-N 2 0 341.459 2.285 20 30 EEEDRP CC(C)(C)C(=O)Nc1ccc(C#N)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162291324 1320808986 /nfs/dbraw/zinc/80/89/86/1320808986.db2.gz CJLFDIZSGUYXBN-UHFFFAOYSA-N 2 0 346.479 2.068 20 30 EEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001202977296 1314780887 /nfs/dbraw/zinc/78/08/87/1314780887.db2.gz CGYOXAMBMDNXAC-HOTGVXAUSA-N 2 0 345.512 2.464 20 30 EEEDRP C#CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000839539579 1315213410 /nfs/dbraw/zinc/21/34/10/1315213410.db2.gz CMTVGTWGPCXDEP-IBGZPJMESA-N 2 0 327.472 2.330 20 30 EEEDRP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149399794 1315958600 /nfs/dbraw/zinc/95/86/00/1315958600.db2.gz TXOQFHNZJOXUDG-ROUUACIJSA-N 2 0 337.508 2.034 20 30 EEEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001151415318 1316528348 /nfs/dbraw/zinc/52/83/48/1316528348.db2.gz NEPYYVOMVHAFJZ-IRXDYDNUSA-N 2 0 337.508 2.033 20 30 EEEDRP C=CCOC[C@H](O)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252470257 1317610673 /nfs/dbraw/zinc/61/06/73/1317610673.db2.gz JHCSOCJWBVBJGW-HXUWFJFHSA-N 2 0 332.488 2.394 20 30 EEEDRP C=CCC[C@@H](O)C[NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001252621286 1317648203 /nfs/dbraw/zinc/64/82/03/1317648203.db2.gz ZWKQJVCAUTXKRV-MRXNPFEDSA-N 2 0 343.512 2.140 20 30 EEEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)c(C#N)c1 ZINC001156525476 1318054973 /nfs/dbraw/zinc/05/49/73/1318054973.db2.gz PQZKMHXYNITCPH-OAHLLOKOSA-N 2 0 348.466 2.366 20 30 EEEDRP Cc1cc(C#N)c(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)nc1C ZINC001157837963 1318897074 /nfs/dbraw/zinc/89/70/74/1318897074.db2.gz LFMFAPOFWCEXLX-UHFFFAOYSA-N 2 0 327.476 2.034 20 30 EEEDRP C[NH+]1CCC(N(c2ccc3[nH]c(C#N)cc3n2)C2CC[NH2+]CC2)CC1 ZINC001158588877 1319323395 /nfs/dbraw/zinc/32/33/95/1319323395.db2.gz ICKNZQLJKHZCAG-UHFFFAOYSA-N 2 0 338.459 2.087 20 30 EEEDRP N#Cc1cc(Nc2c(O)cccc2N2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001160011184 1320047714 /nfs/dbraw/zinc/04/77/14/1320047714.db2.gz BGIDSJORYFTTND-UHFFFAOYSA-N 2 0 349.438 2.104 20 30 EEEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164500714 1321398399 /nfs/dbraw/zinc/39/83/99/1321398399.db2.gz BZGGIQYAQUPFAA-SFHVURJKSA-N 2 0 337.508 2.082 20 30 EEEDRP CC(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001166004225 1321634443 /nfs/dbraw/zinc/63/44/43/1321634443.db2.gz GOCSRNPRYNAJRE-GOSISDBHSA-N 2 0 349.906 2.374 20 30 EEEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001166634899 1321755931 /nfs/dbraw/zinc/75/59/31/1321755931.db2.gz YEDROHQCZSZUCY-MRXNPFEDSA-N 2 0 347.890 2.272 20 30 EEEDRP C[N@H+](CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1)CC(C)(C)C ZINC001166744096 1321779231 /nfs/dbraw/zinc/77/92/31/1321779231.db2.gz HGXHTBXRHZXUIJ-UHFFFAOYSA-N 2 0 330.476 2.132 20 30 EEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203554260 1321910903 /nfs/dbraw/zinc/91/09/03/1321910903.db2.gz BHSJUBAVNWTPOO-ZWKOTPCHSA-N 2 0 349.519 2.080 20 30 EEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203625752 1321926365 /nfs/dbraw/zinc/92/63/65/1321926365.db2.gz XNIBPXUMJJJUBP-HUUCEWRRSA-N 2 0 327.900 2.488 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203774273 1321958291 /nfs/dbraw/zinc/95/82/91/1321958291.db2.gz ZQZDBPZYVBKFPJ-MOPGFXCFSA-N 2 0 339.483 2.402 20 30 EEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206274832 1323443463 /nfs/dbraw/zinc/44/34/63/1323443463.db2.gz LMIBDVRTPPDQPT-IBGZPJMESA-N 2 0 337.483 2.050 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC001207367910 1323948893 /nfs/dbraw/zinc/94/88/93/1323948893.db2.gz WZKIFPUAGYBLMD-IBGZPJMESA-N 2 0 335.536 2.483 20 30 EEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718850 1324637293 /nfs/dbraw/zinc/63/72/93/1324637293.db2.gz RRYYTKKSRIRRJQ-SFHVURJKSA-N 2 0 327.472 2.008 20 30 EEEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210190834 1325197425 /nfs/dbraw/zinc/19/74/25/1325197425.db2.gz YPMQFFCSKCUBCX-MSOLQXFVSA-N 2 0 339.524 2.136 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCCCC)CC1 ZINC001316611684 1325211254 /nfs/dbraw/zinc/21/12/54/1325211254.db2.gz WQMRKYAOBKIPIW-IBGZPJMESA-N 2 0 333.520 2.445 20 30 EEEDRP C[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCCCC1 ZINC001134756493 1367779823 /nfs/dbraw/zinc/77/98/23/1367779823.db2.gz GFLKGYQMKDSZOJ-OAHLLOKOSA-N 2 0 346.450 2.168 20 30 EEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001121916270 1371932968 /nfs/dbraw/zinc/93/29/68/1371932968.db2.gz SYYXHKALXLORMC-IKGGRYGDSA-N 2 0 325.497 2.044 20 30 EEEDRP C=C(Br)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001369549037 1374565744 /nfs/dbraw/zinc/56/57/44/1374565744.db2.gz WELCQXRPAFGSHB-OLZOCXBDSA-N 2 0 346.313 2.110 20 30 EEEDRP C[C@@H](C[N@H+](C)Cc1ccc(F)c(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001375055881 1377322970 /nfs/dbraw/zinc/32/29/70/1377322970.db2.gz PCCLYPIPRKLPJH-AWEZNQCLSA-N 2 0 346.450 2.118 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001376379768 1378499765 /nfs/dbraw/zinc/49/97/65/1378499765.db2.gz UQTIYNOHHYNANB-BZUAXINKSA-N 2 0 327.900 2.345 20 30 EEEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001380680499 1381336350 /nfs/dbraw/zinc/33/63/50/1381336350.db2.gz YQMQDDQYYGUZGE-VQIMIIECSA-N 2 0 342.487 2.227 20 30 EEEDRP C=C(Br)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001390699501 1388737006 /nfs/dbraw/zinc/73/70/06/1388737006.db2.gz ARLBMTBIGAKFKG-CYBMUJFWSA-N 2 0 348.329 2.357 20 30 EEEDRP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001393645518 1390510800 /nfs/dbraw/zinc/51/08/00/1390510800.db2.gz ZINFWKMUEMOGFI-GOSISDBHSA-N 2 0 330.476 2.179 20 30 EEEDRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001400985019 1396793054 /nfs/dbraw/zinc/79/30/54/1396793054.db2.gz HTQLLDYWKSOYPH-UHFFFAOYSA-N 2 0 342.487 2.419 20 30 EEEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C)[NH+](C)C ZINC001401339645 1397171787 /nfs/dbraw/zinc/17/17/87/1397171787.db2.gz BZHSERKJGLRRFV-ROUUACIJSA-N 2 0 348.466 2.268 20 30 EEEDRP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001755062918 1407071740 /nfs/dbraw/zinc/07/17/40/1407071740.db2.gz HNLZPUCAXCPWEF-DLBZAZTESA-N 2 0 349.519 2.175 20 30 EEEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC001425885074 1401789470 /nfs/dbraw/zinc/78/94/70/1401789470.db2.gz HNBUDAVWBDMUBU-QFBILLFUSA-N 2 0 342.487 2.369 20 30 EEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001574970608 1403529401 /nfs/dbraw/zinc/52/94/01/1403529401.db2.gz WLYRRFGIZYLJNI-MRXNPFEDSA-N 2 0 331.485 2.223 20 30 EEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536733 1411035212 /nfs/dbraw/zinc/03/52/12/1411035212.db2.gz FWJNWHSUPCQMFT-ROUUACIJSA-N 2 0 331.504 2.293 20 30 EEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378937 759945991 /nfs/dbraw/zinc/94/59/91/759945991.db2.gz NWTJEUJZRLGFGK-QRVBRYPASA-N 2 0 333.520 2.204 20 30 EEEDRP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098609443 765428470 /nfs/dbraw/zinc/42/84/70/765428470.db2.gz BUOADQLMFSWFBM-MSOLQXFVSA-N 2 0 349.519 2.129 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718969 783049918 /nfs/dbraw/zinc/04/99/18/783049918.db2.gz FAFUXWWZMWPQRW-FXAWDEMLSA-N 2 0 341.499 2.254 20 30 EEEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001089649225 773742222 /nfs/dbraw/zinc/74/22/22/773742222.db2.gz DZEYXPDARKKTGD-DLBZAZTESA-N 2 0 342.487 2.391 20 30 EEEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981169074 776661435 /nfs/dbraw/zinc/66/14/35/776661435.db2.gz NBRRAVPSTPUTJU-SFHVURJKSA-N 2 0 331.504 2.199 20 30 EEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC000991786768 790495507 /nfs/dbraw/zinc/49/55/07/790495507.db2.gz SPPMACXBLORUCZ-QUCCMNQESA-N 2 0 349.438 2.017 20 30 EEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982473425 779095508 /nfs/dbraw/zinc/09/55/08/779095508.db2.gz WGJMIEQILPTBIY-RLLQIKCJSA-N 2 0 333.520 2.465 20 30 EEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947359687 779374837 /nfs/dbraw/zinc/37/48/37/779374837.db2.gz AZRHMFUZAQJHIJ-HOCLYGCPSA-N 2 0 333.501 2.416 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982280103 779519873 /nfs/dbraw/zinc/51/98/73/779519873.db2.gz UOSJWQZCWOHXPK-KVPLUYHFSA-N 2 0 331.504 2.217 20 30 EEEDRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236780421 779864248 /nfs/dbraw/zinc/86/42/48/779864248.db2.gz UONBLMDCNUKUKM-LPHOPBHVSA-N 2 0 331.460 2.424 20 30 EEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982403886 780014830 /nfs/dbraw/zinc/01/48/30/780014830.db2.gz ZQFBNDZMMZGCGU-YSIASYRMSA-N 2 0 331.504 2.217 20 30 EEEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1C#N ZINC001087523469 781665683 /nfs/dbraw/zinc/66/56/83/781665683.db2.gz XBLNFFKMLKJNAA-OTWHNJEPSA-N 2 0 340.471 2.122 20 30 EEEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001135391163 783687558 /nfs/dbraw/zinc/68/75/58/783687558.db2.gz QRKHKYYJGMHIIE-ROUUACIJSA-N 2 0 341.499 2.253 20 30 EEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481742 783837269 /nfs/dbraw/zinc/83/72/69/783837269.db2.gz WQTCQIFIJUNWJA-QZTJIDSGSA-N 2 0 329.488 2.057 20 30 EEEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035165955 783898101 /nfs/dbraw/zinc/89/81/01/783898101.db2.gz BVHYWWFVDJNQOE-OAHLLOKOSA-N 2 0 325.884 2.148 20 30 EEEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197458 784032006 /nfs/dbraw/zinc/03/20/06/784032006.db2.gz ODMJWRLOBMONQR-RTBURBONSA-N 2 0 343.515 2.341 20 30 EEEDRP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035188194 784068143 /nfs/dbraw/zinc/06/81/43/784068143.db2.gz UBROTHYSCMWJPK-ZWKOTPCHSA-N 2 0 331.504 2.055 20 30 EEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035191975 784078562 /nfs/dbraw/zinc/07/85/62/784078562.db2.gz ICXYUTVZPXEIQZ-SFHVURJKSA-N 2 0 333.520 2.465 20 30 EEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001036082231 785783093 /nfs/dbraw/zinc/78/30/93/785783093.db2.gz GUEBOORVHHTVCI-ZBFHGGJFSA-N 2 0 339.911 2.442 20 30 EEEDRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)[NH+](C)C ZINC000996315360 786254571 /nfs/dbraw/zinc/25/45/71/786254571.db2.gz NSQWJBICTQLRGK-ROUUACIJSA-N 2 0 342.487 2.225 20 30 EEEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646590 787997176 /nfs/dbraw/zinc/99/71/76/787997176.db2.gz LZHMABFNKBZMIQ-NVXWUHKLSA-N 2 0 327.900 2.440 20 30 EEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136374 789060967 /nfs/dbraw/zinc/06/09/67/789060967.db2.gz DXBWJAXFWLESSM-APWZRJJASA-N 2 0 331.504 2.243 20 30 EEEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001171162424 789578301 /nfs/dbraw/zinc/57/83/01/789578301.db2.gz YEOXHTNTFKWHAV-PMACEKPBSA-N 2 0 341.499 2.254 20 30 EEEDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171202867 789998572 /nfs/dbraw/zinc/99/85/72/789998572.db2.gz HHUJDPCYXITHBZ-HNNXBMFYSA-N 2 0 329.444 2.236 20 30 EEEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846102849 790063137 /nfs/dbraw/zinc/06/31/37/790063137.db2.gz VHHRVRWRMNPZIY-INIZCTEOSA-N 2 0 335.517 2.455 20 30 EEEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001171215612 790073738 /nfs/dbraw/zinc/07/37/38/790073738.db2.gz BWJXYADRAVUWPB-FFZOFVMBSA-N 2 0 326.488 2.199 20 30 EEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573162 791873259 /nfs/dbraw/zinc/87/32/59/791873259.db2.gz VATYWCCITXUWPJ-AEFFLSMTSA-N 2 0 331.504 2.217 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713036 792363525 /nfs/dbraw/zinc/36/35/25/792363525.db2.gz KOYNAPZOCGQBBE-QAPCUYQASA-N 2 0 333.501 2.390 20 30 EEEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611879 792559912 /nfs/dbraw/zinc/55/99/12/792559912.db2.gz QTHVIEXNGDWIRO-UHFFFAOYSA-N 2 0 339.524 2.069 20 30 EEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923071 792992144 /nfs/dbraw/zinc/99/21/44/792992144.db2.gz HSWVPVBNNCOXIR-WMZOPIPTSA-N 2 0 331.504 2.217 20 30 EEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926062 793001653 /nfs/dbraw/zinc/00/16/53/793001653.db2.gz OEBCPOBHFDJYIV-RBUKOAKNSA-N 2 0 345.531 2.301 20 30 EEEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190003 793652613 /nfs/dbraw/zinc/65/26/13/793652613.db2.gz LRKNXMQSZAFZRX-HBFSDRIKSA-N 2 0 331.504 2.055 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC=C(C)C)C[C@@]3(C)C2)CC1 ZINC001092299630 793775718 /nfs/dbraw/zinc/77/57/18/793775718.db2.gz DMYUBVSXQZYJCI-CTNGQTDRSA-N 2 0 343.515 2.078 20 30 EEEDRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000999362517 794362044 /nfs/dbraw/zinc/36/20/44/794362044.db2.gz BGAHLGVBZFIAPB-GOSISDBHSA-N 2 0 340.471 2.123 20 30 EEEDRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000999409626 794425833 /nfs/dbraw/zinc/42/58/33/794425833.db2.gz RGAXHXMPVVHXJO-NFOMZHRRSA-N 2 0 346.500 2.041 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC000992512349 794463341 /nfs/dbraw/zinc/46/33/41/794463341.db2.gz RXXFRXCQTZGPKI-PZJWPPBQSA-N 2 0 343.515 2.245 20 30 EEEDRP N#Cc1cccc(C[N@@H+]2CC[C@]3(NC(=O)Cn4ccnc4)CCC[C@@H]23)c1 ZINC000992525079 794499697 /nfs/dbraw/zinc/49/96/97/794499697.db2.gz VVCYNMZIYQGMSO-UYAOXDASSA-N 2 0 349.438 2.068 20 30 EEEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717270 794610795 /nfs/dbraw/zinc/61/07/95/794610795.db2.gz SSASLDPRPZICEF-ZWKOTPCHSA-N 2 0 331.504 2.197 20 30 EEEDRP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001093378139 795113761 /nfs/dbraw/zinc/11/37/61/795113761.db2.gz JXFGBAYUBVTSDY-XLIONFOSSA-N 2 0 343.515 2.055 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106211187 795234539 /nfs/dbraw/zinc/23/45/39/795234539.db2.gz UWIMJGIIHAJFGC-BMFZPTHFSA-N 2 0 327.900 2.297 20 30 EEEDRP CC(C)(C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001127317592 795361248 /nfs/dbraw/zinc/36/12/48/795361248.db2.gz SLCDWCJASPPCRG-UHFFFAOYSA-N 2 0 328.460 2.029 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842526 795425601 /nfs/dbraw/zinc/42/56/01/795425601.db2.gz QKVYPWFIDGEBIM-WOJBJXKFSA-N 2 0 339.483 2.308 20 30 EEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094415047 796202974 /nfs/dbraw/zinc/20/29/74/796202974.db2.gz KSRMWQSDIWFYNK-QWFCFKBJSA-N 2 0 331.504 2.265 20 30 EEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434232 796228173 /nfs/dbraw/zinc/22/81/73/796228173.db2.gz YMWHWIPQELQYHY-SFHLNBCPSA-N 2 0 345.531 2.348 20 30 EEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(=C)Cl)C2)CC1 ZINC001036902135 796438847 /nfs/dbraw/zinc/43/88/47/796438847.db2.gz FTHUVCZDLFBQHE-MSOLQXFVSA-N 2 0 349.906 2.007 20 30 EEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081182404 796679801 /nfs/dbraw/zinc/67/98/01/796679801.db2.gz VVQRTYZNYPUNFQ-OTWHNJEPSA-N 2 0 329.488 2.487 20 30 EEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171872302 796761050 /nfs/dbraw/zinc/76/10/50/796761050.db2.gz BPYZBTDRXLPFJJ-FFEBTUMSSA-N 2 0 349.519 2.080 20 30 EEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173142909 797256623 /nfs/dbraw/zinc/25/66/23/797256623.db2.gz BSSUZHPLPQRXGB-QGZVFWFLSA-N 2 0 346.544 2.292 20 30 EEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001095036041 797259271 /nfs/dbraw/zinc/25/92/71/797259271.db2.gz UOHKOJQRGTVESS-WDSOQIARSA-N 2 0 331.504 2.264 20 30 EEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860111 797426230 /nfs/dbraw/zinc/42/62/30/797426230.db2.gz JPWWWMKWUBFHPB-QRVBRYPASA-N 2 0 333.520 2.348 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994497159 798098187 /nfs/dbraw/zinc/09/81/87/798098187.db2.gz JTNDFPHDBUEAFR-QFBILLFUSA-N 2 0 327.472 2.354 20 30 EEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957792 798576636 /nfs/dbraw/zinc/57/66/36/798576636.db2.gz XKUIADZORLNHRA-QYZOEREBSA-N 2 0 333.520 2.463 20 30 EEEDRP N#Cc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)cc1F ZINC001176884914 798613144 /nfs/dbraw/zinc/61/31/44/798613144.db2.gz VOEONTDGSWEJGV-UHFFFAOYSA-N 2 0 346.450 2.169 20 30 EEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001177406597 798927382 /nfs/dbraw/zinc/92/73/82/798927382.db2.gz WAMIMTUJKJWQSI-UHFFFAOYSA-N 2 0 333.520 2.350 20 30 EEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178536053 799513051 /nfs/dbraw/zinc/51/30/51/799513051.db2.gz OKFMDIQHZWRHQK-ZWKOTPCHSA-N 2 0 337.508 2.082 20 30 EEEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179856678 800134219 /nfs/dbraw/zinc/13/42/19/800134219.db2.gz GPFUSGXNQBOCPV-LPHOPBHVSA-N 2 0 345.462 2.098 20 30 EEEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207946 801147692 /nfs/dbraw/zinc/14/76/92/801147692.db2.gz TVQORMFFUBMILC-HKUYNNGSSA-N 2 0 339.524 2.280 20 30 EEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184556412 802070721 /nfs/dbraw/zinc/07/07/21/802070721.db2.gz PAYGMMZPGHZYBM-HIFRSBDPSA-N 2 0 327.900 2.297 20 30 EEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004461814 802134147 /nfs/dbraw/zinc/13/41/47/802134147.db2.gz ARTVAQJDMKLBCT-OALUTQOASA-N 2 0 333.520 2.299 20 30 EEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892536 802231966 /nfs/dbraw/zinc/23/19/66/802231966.db2.gz QHRVJGBUOJARSC-ROUUACIJSA-N 2 0 333.520 2.348 20 30 EEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642881 802552640 /nfs/dbraw/zinc/55/26/40/802552640.db2.gz TUDZIXJQOGJNAS-ZSYWTGECSA-N 2 0 331.504 2.360 20 30 EEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2CN[C@H](C(=O)OC)C2)cc1 ZINC001169136634 803629050 /nfs/dbraw/zinc/62/90/50/803629050.db2.gz MODSJOZMVITOEU-SQNIBIBYSA-N 2 0 329.444 2.325 20 30 EEEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716236 804384996 /nfs/dbraw/zinc/38/49/96/804384996.db2.gz LPGQLTLIGUUSCI-JZXOWHBKSA-N 2 0 336.439 2.249 20 30 EEEDRP